USER MOD reduce.3.24.130724 H: found=0, std=0, add=1307, rem=0, adj=52 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 46 TYR OH : rot -176:sc= 1.14 USER MOD Set 1.2: B 72 LYS NZ :NH3+ -103:sc= 1.27 (180deg=-0.506) USER MOD Set 2.1: B 56 HIS : no HD1:sc= 0 X(o=-0.0026,f=-0.017) USER MOD Set 2.2: B 97 MET CE :methyl 170:sc=-0.00262 (180deg=-0.111) USER MOD Set 3.1: B 38 SER OG : rot 96:sc= 1.5 USER MOD Set 3.2: B 112 LYS NZ :NH3+ -149:sc= 0.524 (180deg=0) USER MOD Set 4.1: A 56 HIS : no HD1:sc= 0 X(o=0.056,f=0.044) USER MOD Set 4.2: A 60 CYS SG : rot -118:sc= 0.0775 USER MOD Set 4.3: A 97 MET CE :methyl -170:sc= -0.0216 (180deg=-0.198) USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.21) USER MOD Single : A 38 SER OG : rot -110:sc= -0.23! USER MOD Single : A 40 TYR OH : rot 180:sc= -0.0851 USER MOD Single : A 43 ASN : amide:sc= -0.105 K(o=-0.11,f=-6.4!) USER MOD Single : A 46 TYR OH : rot -122:sc= 0.884 USER MOD Single : A 48 SER OG : rot -94:sc= 1.45 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.406 X(o=-0.41,f=0) USER MOD Single : A 58 SER OG : rot 47:sc= 1.25 USER MOD Single : A 59 SER OG : rot 180:sc= 0.001 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -3.16 K(o=-3.2,f=-8.8!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot -162:sc= 0.0271 USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0.871 (180deg=0.804) USER MOD Single : A 74 SER OG : rot -35:sc= 0.19 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 0.867 (180deg=0.81) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -97:sc= -1.77! USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= -1.18 USER MOD Single : A 100 THR OG1 : rot -74:sc= 1.26 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -158:sc= -0.0766 (180deg=-0.428) USER MOD Single : A 112 LYS NZ :NH3+ -164:sc= 1.11 (180deg=0.685) USER MOD Single : B 24 GLN :FLIP amide:sc= -0.0797 F(o=-1.7,f=-0.08) USER MOD Single : B 27 SER OG : rot 180:sc= 0.00043 USER MOD Single : B 31 LYS NZ :NH3+ -159:sc= -0.0719 (180deg=-0.469) USER MOD Single : B 32 LYS NZ :NH3+ -143:sc= -0.0106 (180deg=-0.0624) USER MOD Single : B 36 LYS NZ :NH3+ 169:sc= 0.958 (180deg=0.863) USER MOD Single : B 40 TYR OH : rot 180:sc= 0 USER MOD Single : B 43 ASN :FLIP amide:sc= -0.324 F(o=-0.91,f=-0.32) USER MOD Single : B 48 SER OG : rot 77:sc= 0.888 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 GLN : amide:sc= -0.0359 K(o=-0.036,f=-0.93) USER MOD Single : B 58 SER OG : rot 42:sc= 1.2 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 CYS SG : rot 150:sc= 1.02 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 64 ASN : amide:sc= -4.61! C(o=-4.6!,f=-9.8!) USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 CYS SG : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 78 LYS NZ :NH3+ -169:sc= 0.807 (180deg=0.189) USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot -106:sc= 0.0838 USER MOD Single : B 89 ASN :FLIP amide:sc= -0.0202 F(o=-0.72,f=-0.02) USER MOD Single : B 90 SER OG : rot 180:sc= 0 USER MOD Single : B 100 THR OG1 : rot -71:sc= 0.998 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ -168:sc= -0.0194 (180deg=-0.189) USER MOD ----------------------------------------------------------------- ATOM 468 N GLU A 33 -14.263 9.513 8.258 1.00 5.24 N ATOM 469 CA GLU A 33 -14.960 9.669 6.990 1.00 24.13 C ATOM 470 C GLU A 33 -14.357 8.796 5.910 1.00 50.14 C ATOM 471 O GLU A 33 -15.072 8.149 5.177 1.00 32.20 O ATOM 472 CB GLU A 33 -15.024 11.137 6.571 1.00 44.21 C ATOM 473 CG GLU A 33 -15.869 11.993 7.513 1.00 25.02 C ATOM 474 CD GLU A 33 -17.359 11.644 7.477 1.00 41.13 C ATOM 475 OE1 GLU A 33 -17.735 10.479 7.654 1.00 52.43 O ATOM 476 OE2 GLU A 33 -18.177 12.534 7.235 1.00 65.24 O ATOM 0 HA GLU A 33 -15.986 9.329 7.133 1.00 24.13 H new ATOM 0 HB2 GLU A 33 -14.013 11.542 6.531 1.00 44.21 H new ATOM 0 HB3 GLU A 33 -15.434 11.203 5.563 1.00 44.21 H new ATOM 0 HG2 GLU A 33 -15.499 11.873 8.531 1.00 25.02 H new ATOM 0 HG3 GLU A 33 -15.743 13.043 7.250 1.00 25.02 H new ATOM 483 N ILE A 34 -13.048 8.750 5.851 1.00 14.54 N ATOM 484 CA ILE A 34 -12.373 7.920 4.870 1.00 4.42 C ATOM 485 C ILE A 34 -12.541 6.439 5.200 1.00 24.21 C ATOM 486 O ILE A 34 -12.724 5.633 4.321 1.00 43.34 O ATOM 487 CB ILE A 34 -10.874 8.310 4.671 1.00 31.35 C ATOM 488 CG1 ILE A 34 -10.055 8.182 5.968 1.00 65.33 C ATOM 489 CG2 ILE A 34 -10.773 9.709 4.083 1.00 42.24 C ATOM 490 CD1 ILE A 34 -8.629 8.712 5.865 1.00 32.42 C ATOM 0 H ILE A 34 -12.426 9.274 6.467 1.00 14.54 H new ATOM 0 HA ILE A 34 -12.856 8.106 3.911 1.00 4.42 H new ATOM 0 HB ILE A 34 -10.438 7.602 3.967 1.00 31.35 H new ATOM 0 HG12 ILE A 34 -10.572 8.717 6.765 1.00 65.33 H new ATOM 0 HG13 ILE A 34 -10.020 7.132 6.259 1.00 65.33 H new ATOM 0 HG21 ILE A 34 -9.724 9.972 3.948 1.00 42.24 H new ATOM 0 HG22 ILE A 34 -11.281 9.736 3.119 1.00 42.24 H new ATOM 0 HG23 ILE A 34 -11.242 10.423 4.760 1.00 42.24 H new ATOM 0 HD11 ILE A 34 -8.123 8.583 6.822 1.00 32.42 H new ATOM 0 HD12 ILE A 34 -8.091 8.162 5.093 1.00 32.42 H new ATOM 0 HD13 ILE A 34 -8.652 9.771 5.606 1.00 32.42 H new ATOM 502 N ASP A 35 -12.556 6.121 6.495 1.00 54.02 N ATOM 503 CA ASP A 35 -12.625 4.730 6.982 1.00 30.22 C ATOM 504 C ASP A 35 -14.034 4.173 6.757 1.00 42.21 C ATOM 505 O ASP A 35 -14.228 2.979 6.500 1.00 73.25 O ATOM 506 CB ASP A 35 -12.296 4.721 8.466 1.00 32.22 C ATOM 507 CG ASP A 35 -11.738 3.431 8.964 1.00 51.44 C ATOM 508 OD1 ASP A 35 -10.654 3.020 8.481 1.00 1.44 O ATOM 509 OD2 ASP A 35 -12.313 2.845 9.900 1.00 43.32 O ATOM 0 H ASP A 35 -12.521 6.816 7.241 1.00 54.02 H new ATOM 0 HA ASP A 35 -11.912 4.108 6.440 1.00 30.22 H new ATOM 0 HB2 ASP A 35 -11.580 5.517 8.672 1.00 32.22 H new ATOM 0 HB3 ASP A 35 -13.201 4.953 9.028 1.00 32.22 H new ATOM 514 N LYS A 36 -15.010 5.066 6.839 1.00 45.22 N ATOM 515 CA LYS A 36 -16.414 4.754 6.579 1.00 34.35 C ATOM 516 C LYS A 36 -16.634 4.523 5.107 1.00 42.51 C ATOM 517 O LYS A 36 -17.618 3.904 4.704 1.00 40.34 O ATOM 518 CB LYS A 36 -17.318 5.894 7.078 1.00 43.12 C ATOM 519 CG LYS A 36 -17.387 6.029 8.598 1.00 2.23 C ATOM 520 CD LYS A 36 -17.916 7.401 9.025 1.00 50.21 C ATOM 521 CE LYS A 36 -19.307 7.699 8.504 1.00 72.21 C ATOM 522 NZ LYS A 36 -19.715 9.076 8.862 1.00 24.22 N ATOM 0 H LYS A 36 -14.850 6.041 7.091 1.00 45.22 H new ATOM 0 HA LYS A 36 -16.672 3.843 7.119 1.00 34.35 H new ATOM 0 HB2 LYS A 36 -16.961 6.834 6.658 1.00 43.12 H new ATOM 0 HB3 LYS A 36 -18.326 5.736 6.694 1.00 43.12 H new ATOM 0 HG2 LYS A 36 -18.032 5.249 9.003 1.00 2.23 H new ATOM 0 HG3 LYS A 36 -16.395 5.874 9.022 1.00 2.23 H new ATOM 0 HD2 LYS A 36 -17.924 7.456 10.114 1.00 50.21 H new ATOM 0 HD3 LYS A 36 -17.231 8.172 8.672 1.00 50.21 H new ATOM 0 HE2 LYS A 36 -19.329 7.578 7.421 1.00 72.21 H new ATOM 0 HE3 LYS A 36 -20.017 6.984 8.919 1.00 72.21 H new ATOM 0 HZ1 LYS A 36 -20.487 9.383 8.237 1.00 24.22 H new ATOM 0 HZ2 LYS A 36 -20.040 9.096 9.850 1.00 24.22 H new ATOM 0 HZ3 LYS A 36 -18.904 9.718 8.752 1.00 24.22 H new ATOM 536 N ARG A 37 -15.715 5.001 4.314 1.00 2.40 N ATOM 537 CA ARG A 37 -15.806 4.900 2.890 1.00 21.21 C ATOM 538 C ARG A 37 -14.812 3.882 2.368 1.00 33.31 C ATOM 539 O ARG A 37 -14.634 3.743 1.162 1.00 74.20 O ATOM 540 CB ARG A 37 -15.574 6.267 2.270 1.00 51.03 C ATOM 541 CG ARG A 37 -16.584 7.285 2.748 1.00 73.41 C ATOM 542 CD ARG A 37 -16.279 8.678 2.271 1.00 64.22 C ATOM 543 NE ARG A 37 -17.212 9.637 2.873 1.00 64.23 N ATOM 544 CZ ARG A 37 -17.097 10.966 2.830 1.00 23.23 C ATOM 545 NH1 ARG A 37 -16.092 11.538 2.176 1.00 43.12 N ATOM 546 NH2 ARG A 37 -18.001 11.716 3.442 1.00 30.23 N ATOM 0 H ARG A 37 -14.875 5.476 4.645 1.00 2.40 H new ATOM 0 HA ARG A 37 -16.803 4.558 2.612 1.00 21.21 H new ATOM 0 HB2 ARG A 37 -14.569 6.611 2.516 1.00 51.03 H new ATOM 0 HB3 ARG A 37 -15.627 6.186 1.184 1.00 51.03 H new ATOM 0 HG2 ARG A 37 -17.576 6.996 2.401 1.00 73.41 H new ATOM 0 HG3 ARG A 37 -16.613 7.277 3.838 1.00 73.41 H new ATOM 0 HD2 ARG A 37 -15.255 8.943 2.533 1.00 64.22 H new ATOM 0 HD3 ARG A 37 -16.352 8.722 1.184 1.00 64.22 H new ATOM 0 HE ARG A 37 -18.018 9.255 3.367 1.00 64.23 H new ATOM 0 HH11 ARG A 37 -15.399 10.961 1.700 1.00 43.12 H new ATOM 0 HH12 ARG A 37 -16.014 12.555 2.150 1.00 43.12 H new ATOM 0 HH21 ARG A 37 -18.775 11.277 3.940 1.00 30.23 H new ATOM 0 HH22 ARG A 37 -17.923 12.733 3.415 1.00 30.23 H new ATOM 560 N SER A 38 -14.200 3.155 3.278 1.00 51.31 N ATOM 561 CA SER A 38 -13.268 2.124 2.921 1.00 2.51 C ATOM 562 C SER A 38 -13.969 0.787 2.880 1.00 53.51 C ATOM 563 O SER A 38 -14.937 0.531 3.631 1.00 71.22 O ATOM 564 CB SER A 38 -12.126 2.035 3.940 1.00 5.25 C ATOM 565 OG SER A 38 -11.363 3.205 4.014 1.00 75.45 O ATOM 0 H SER A 38 -14.339 3.267 4.282 1.00 51.31 H new ATOM 0 HA SER A 38 -12.860 2.373 1.941 1.00 2.51 H new ATOM 0 HB2 SER A 38 -12.541 1.817 4.924 1.00 5.25 H new ATOM 0 HB3 SER A 38 -11.476 1.201 3.676 1.00 5.25 H new ATOM 0 HG SER A 38 -10.473 3.039 3.639 1.00 75.45 H new ATOM 571 N VAL A 39 -13.479 -0.061 2.039 1.00 70.12 N ATOM 572 CA VAL A 39 -14.004 -1.371 1.894 1.00 52.45 C ATOM 573 C VAL A 39 -12.899 -2.374 2.001 1.00 41.23 C ATOM 574 O VAL A 39 -11.728 -2.047 1.838 1.00 71.42 O ATOM 575 CB VAL A 39 -14.791 -1.599 0.557 1.00 52.05 C ATOM 576 CG1 VAL A 39 -15.966 -0.660 0.424 1.00 64.52 C ATOM 577 CG2 VAL A 39 -13.874 -1.504 -0.663 1.00 75.43 C ATOM 0 H VAL A 39 -12.690 0.143 1.425 1.00 70.12 H new ATOM 0 HA VAL A 39 -14.725 -1.499 2.701 1.00 52.45 H new ATOM 0 HB VAL A 39 -15.187 -2.614 0.598 1.00 52.05 H new ATOM 0 HG11 VAL A 39 -16.482 -0.854 -0.517 1.00 64.52 H new ATOM 0 HG12 VAL A 39 -16.654 -0.818 1.254 1.00 64.52 H new ATOM 0 HG13 VAL A 39 -15.612 0.371 0.438 1.00 64.52 H new ATOM 0 HG21 VAL A 39 -14.457 -1.668 -1.570 1.00 75.43 H new ATOM 0 HG22 VAL A 39 -13.417 -0.515 -0.699 1.00 75.43 H new ATOM 0 HG23 VAL A 39 -13.094 -2.262 -0.591 1.00 75.43 H new ATOM 587 N TYR A 40 -13.279 -3.556 2.265 1.00 22.32 N ATOM 588 CA TYR A 40 -12.421 -4.688 2.345 1.00 10.23 C ATOM 589 C TYR A 40 -12.632 -5.521 1.112 1.00 72.34 C ATOM 590 O TYR A 40 -13.750 -5.921 0.833 1.00 33.14 O ATOM 591 CB TYR A 40 -12.776 -5.514 3.595 1.00 22.40 C ATOM 592 CG TYR A 40 -12.299 -6.961 3.547 1.00 23.22 C ATOM 593 CD1 TYR A 40 -10.992 -7.308 3.819 1.00 44.12 C ATOM 594 CD2 TYR A 40 -13.184 -7.976 3.198 1.00 1.44 C ATOM 595 CE1 TYR A 40 -10.578 -8.626 3.748 1.00 1.41 C ATOM 596 CE2 TYR A 40 -12.782 -9.282 3.119 1.00 71.41 C ATOM 597 CZ TYR A 40 -11.483 -9.604 3.393 1.00 74.51 C ATOM 598 OH TYR A 40 -11.084 -10.918 3.304 1.00 32.13 O ATOM 0 H TYR A 40 -14.256 -3.786 2.444 1.00 22.32 H new ATOM 0 HA TYR A 40 -11.380 -4.373 2.414 1.00 10.23 H new ATOM 0 HB2 TYR A 40 -12.344 -5.030 4.471 1.00 22.40 H new ATOM 0 HB3 TYR A 40 -13.858 -5.505 3.727 1.00 22.40 H new ATOM 0 HD1 TYR A 40 -10.282 -6.541 4.091 1.00 44.12 H new ATOM 0 HD2 TYR A 40 -14.213 -7.728 2.984 1.00 1.44 H new ATOM 0 HE1 TYR A 40 -9.554 -8.887 3.969 1.00 1.41 H new ATOM 0 HE2 TYR A 40 -13.487 -10.052 2.842 1.00 71.41 H new ATOM 0 HH TYR A 40 -11.847 -11.475 3.043 1.00 32.13 H new ATOM 608 N VAL A 41 -11.602 -5.727 0.369 1.00 2.31 N ATOM 609 CA VAL A 41 -11.632 -6.567 -0.792 1.00 13.13 C ATOM 610 C VAL A 41 -10.747 -7.767 -0.519 1.00 61.15 C ATOM 611 O VAL A 41 -9.538 -7.637 -0.445 1.00 4.13 O ATOM 612 CB VAL A 41 -11.070 -5.795 -2.007 1.00 25.25 C ATOM 613 CG1 VAL A 41 -11.110 -6.633 -3.282 1.00 50.03 C ATOM 614 CG2 VAL A 41 -11.776 -4.463 -2.191 1.00 43.55 C ATOM 0 H VAL A 41 -10.689 -5.309 0.550 1.00 2.31 H new ATOM 0 HA VAL A 41 -12.654 -6.877 -1.007 1.00 13.13 H new ATOM 0 HB VAL A 41 -10.021 -5.584 -1.798 1.00 25.25 H new ATOM 0 HG11 VAL A 41 -10.706 -6.053 -4.112 1.00 50.03 H new ATOM 0 HG12 VAL A 41 -10.512 -7.534 -3.144 1.00 50.03 H new ATOM 0 HG13 VAL A 41 -12.141 -6.912 -3.502 1.00 50.03 H new ATOM 0 HG21 VAL A 41 -11.357 -3.945 -3.054 1.00 43.55 H new ATOM 0 HG22 VAL A 41 -12.840 -4.635 -2.352 1.00 43.55 H new ATOM 0 HG23 VAL A 41 -11.638 -3.852 -1.299 1.00 43.55 H new ATOM 624 N GLY A 42 -11.327 -8.912 -0.340 1.00 31.43 N ATOM 625 CA GLY A 42 -10.537 -10.062 -0.010 1.00 32.34 C ATOM 626 C GLY A 42 -10.423 -11.055 -1.126 1.00 63.14 C ATOM 627 O GLY A 42 -11.192 -11.014 -2.080 1.00 50.01 O ATOM 0 H GLY A 42 -12.331 -9.078 -0.415 1.00 31.43 H new ATOM 0 HA2 GLY A 42 -9.538 -9.735 0.277 1.00 32.34 H new ATOM 0 HA3 GLY A 42 -10.973 -10.554 0.859 1.00 32.34 H new ATOM 631 N ASN A 43 -9.469 -11.958 -0.961 1.00 43.34 N ATOM 632 CA ASN A 43 -9.145 -13.060 -1.893 1.00 52.10 C ATOM 633 C ASN A 43 -8.787 -12.571 -3.327 1.00 0.32 C ATOM 634 O ASN A 43 -8.840 -13.334 -4.283 1.00 40.02 O ATOM 635 CB ASN A 43 -10.289 -14.106 -1.916 1.00 51.42 C ATOM 636 CG ASN A 43 -9.886 -15.428 -2.579 1.00 61.12 C ATOM 637 OD1 ASN A 43 -8.720 -15.834 -2.539 1.00 20.11 O ATOM 638 ND2 ASN A 43 -10.830 -16.105 -3.175 1.00 5.32 N ATOM 0 H ASN A 43 -8.864 -11.954 -0.140 1.00 43.34 H new ATOM 0 HA ASN A 43 -8.242 -13.538 -1.513 1.00 52.10 H new ATOM 0 HB2 ASN A 43 -10.612 -14.303 -0.894 1.00 51.42 H new ATOM 0 HB3 ASN A 43 -11.145 -13.687 -2.446 1.00 51.42 H new ATOM 0 HD21 ASN A 43 -10.614 -16.995 -3.624 1.00 5.32 H new ATOM 0 HD22 ASN A 43 -11.784 -15.744 -3.192 1.00 5.32 H new ATOM 645 N VAL A 44 -8.402 -11.308 -3.459 1.00 12.53 N ATOM 646 CA VAL A 44 -7.934 -10.799 -4.751 1.00 14.31 C ATOM 647 C VAL A 44 -6.684 -11.553 -5.164 1.00 4.23 C ATOM 648 O VAL A 44 -5.771 -11.787 -4.356 1.00 61.33 O ATOM 649 CB VAL A 44 -7.702 -9.244 -4.768 1.00 13.04 C ATOM 650 CG1 VAL A 44 -6.631 -8.807 -3.796 1.00 21.41 C ATOM 651 CG2 VAL A 44 -7.378 -8.761 -6.170 1.00 13.54 C ATOM 0 H VAL A 44 -8.402 -10.623 -2.703 1.00 12.53 H new ATOM 0 HA VAL A 44 -8.726 -10.975 -5.478 1.00 14.31 H new ATOM 0 HB VAL A 44 -8.635 -8.784 -4.443 1.00 13.04 H new ATOM 0 HG11 VAL A 44 -6.512 -7.725 -3.849 1.00 21.41 H new ATOM 0 HG12 VAL A 44 -6.920 -9.091 -2.784 1.00 21.41 H new ATOM 0 HG13 VAL A 44 -5.688 -9.289 -4.053 1.00 21.41 H new ATOM 0 HG21 VAL A 44 -7.222 -7.682 -6.156 1.00 13.54 H new ATOM 0 HG22 VAL A 44 -6.473 -9.254 -6.525 1.00 13.54 H new ATOM 0 HG23 VAL A 44 -8.206 -8.999 -6.837 1.00 13.54 H new ATOM 661 N ASP A 45 -6.667 -11.972 -6.390 1.00 75.52 N ATOM 662 CA ASP A 45 -5.575 -12.735 -6.908 1.00 42.33 C ATOM 663 C ASP A 45 -4.461 -11.779 -7.274 1.00 25.44 C ATOM 664 O ASP A 45 -4.725 -10.610 -7.586 1.00 44.00 O ATOM 665 CB ASP A 45 -6.045 -13.562 -8.118 1.00 21.00 C ATOM 666 CG ASP A 45 -4.944 -14.366 -8.776 1.00 34.24 C ATOM 667 OD1 ASP A 45 -4.298 -13.848 -9.689 1.00 24.52 O ATOM 668 OD2 ASP A 45 -4.716 -15.532 -8.390 1.00 24.31 O ATOM 0 H ASP A 45 -7.413 -11.794 -7.063 1.00 75.52 H new ATOM 0 HA ASP A 45 -5.202 -13.438 -6.163 1.00 42.33 H new ATOM 0 HB2 ASP A 45 -6.835 -14.241 -7.797 1.00 21.00 H new ATOM 0 HB3 ASP A 45 -6.482 -12.891 -8.857 1.00 21.00 H new ATOM 673 N TYR A 46 -3.235 -12.269 -7.258 1.00 62.51 N ATOM 674 CA TYR A 46 -2.066 -11.427 -7.483 1.00 22.11 C ATOM 675 C TYR A 46 -2.089 -10.888 -8.930 1.00 33.23 C ATOM 676 O TYR A 46 -1.400 -9.931 -9.266 1.00 74.12 O ATOM 677 CB TYR A 46 -0.769 -12.213 -7.214 1.00 52.04 C ATOM 678 CG TYR A 46 0.408 -11.340 -6.794 1.00 62.52 C ATOM 679 CD1 TYR A 46 1.096 -10.540 -7.698 1.00 75.32 C ATOM 680 CD2 TYR A 46 0.815 -11.316 -5.468 1.00 43.15 C ATOM 681 CE1 TYR A 46 2.137 -9.744 -7.292 1.00 74.22 C ATOM 682 CE2 TYR A 46 1.867 -10.528 -5.051 1.00 35.13 C ATOM 683 CZ TYR A 46 2.523 -9.736 -5.977 1.00 63.15 C ATOM 684 OH TYR A 46 3.557 -8.927 -5.599 1.00 23.10 O ATOM 0 H TYR A 46 -3.018 -13.252 -7.091 1.00 62.51 H new ATOM 0 HA TYR A 46 -2.095 -10.586 -6.791 1.00 22.11 H new ATOM 0 HB2 TYR A 46 -0.958 -12.950 -6.434 1.00 52.04 H new ATOM 0 HB3 TYR A 46 -0.497 -12.764 -8.114 1.00 52.04 H new ATOM 0 HD1 TYR A 46 0.806 -10.545 -8.738 1.00 75.32 H new ATOM 0 HD2 TYR A 46 0.296 -11.929 -4.746 1.00 43.15 H new ATOM 0 HE1 TYR A 46 2.653 -9.123 -8.009 1.00 74.22 H new ATOM 0 HE2 TYR A 46 2.175 -10.529 -4.016 1.00 35.13 H new ATOM 0 HH TYR A 46 4.267 -9.470 -5.197 1.00 23.10 H new ATOM 694 N GLY A 47 -2.897 -11.527 -9.777 1.00 64.43 N ATOM 695 CA GLY A 47 -3.070 -11.108 -11.143 1.00 44.31 C ATOM 696 C GLY A 47 -3.756 -9.759 -11.266 1.00 44.30 C ATOM 697 O GLY A 47 -3.621 -9.079 -12.295 1.00 12.22 O ATOM 0 H GLY A 47 -3.445 -12.349 -9.522 1.00 64.43 H new ATOM 0 HA2 GLY A 47 -2.095 -11.060 -11.629 1.00 44.31 H new ATOM 0 HA3 GLY A 47 -3.655 -11.857 -11.676 1.00 44.31 H new ATOM 701 N SER A 48 -4.496 -9.347 -10.243 1.00 31.21 N ATOM 702 CA SER A 48 -5.106 -8.059 -10.297 1.00 72.31 C ATOM 703 C SER A 48 -4.218 -6.994 -9.665 1.00 15.23 C ATOM 704 O SER A 48 -3.501 -7.244 -8.699 1.00 34.43 O ATOM 705 CB SER A 48 -6.519 -8.069 -9.726 1.00 32.40 C ATOM 706 OG SER A 48 -7.399 -8.802 -10.582 1.00 2.14 O ATOM 0 H SER A 48 -4.675 -9.883 -9.394 1.00 31.21 H new ATOM 0 HA SER A 48 -5.212 -7.791 -11.348 1.00 72.31 H new ATOM 0 HB2 SER A 48 -6.513 -8.516 -8.732 1.00 32.40 H new ATOM 0 HB3 SER A 48 -6.879 -7.047 -9.613 1.00 32.40 H new ATOM 0 HG SER A 48 -7.847 -8.184 -11.197 1.00 2.14 H new ATOM 712 N THR A 49 -4.274 -5.829 -10.235 1.00 50.25 N ATOM 713 CA THR A 49 -3.484 -4.703 -9.831 1.00 70.11 C ATOM 714 C THR A 49 -4.397 -3.543 -9.518 1.00 42.12 C ATOM 715 O THR A 49 -5.617 -3.682 -9.648 1.00 42.41 O ATOM 716 CB THR A 49 -2.468 -4.323 -10.909 1.00 30.41 C ATOM 717 OG1 THR A 49 -3.116 -4.248 -12.188 1.00 72.54 O ATOM 718 CG2 THR A 49 -1.327 -5.316 -10.958 1.00 25.14 C ATOM 0 H THR A 49 -4.892 -5.628 -11.021 1.00 50.25 H new ATOM 0 HA THR A 49 -2.920 -4.969 -8.937 1.00 70.11 H new ATOM 0 HB THR A 49 -2.054 -3.346 -10.659 1.00 30.41 H new ATOM 0 HG1 THR A 49 -2.460 -4.003 -12.873 1.00 72.54 H new ATOM 0 HG21 THR A 49 -0.620 -5.020 -11.733 1.00 25.14 H new ATOM 0 HG22 THR A 49 -0.820 -5.335 -9.993 1.00 25.14 H new ATOM 0 HG23 THR A 49 -1.718 -6.308 -11.183 1.00 25.14 H new ATOM 726 N ALA A 50 -3.835 -2.408 -9.121 1.00 72.54 N ATOM 727 CA ALA A 50 -4.624 -1.272 -8.694 1.00 73.42 C ATOM 728 C ALA A 50 -5.618 -0.808 -9.765 1.00 62.35 C ATOM 729 O ALA A 50 -6.802 -0.659 -9.492 1.00 64.51 O ATOM 730 CB ALA A 50 -3.718 -0.134 -8.242 1.00 35.45 C ATOM 0 H ALA A 50 -2.827 -2.255 -9.088 1.00 72.54 H new ATOM 0 HA ALA A 50 -5.224 -1.595 -7.843 1.00 73.42 H new ATOM 0 HB1 ALA A 50 -4.327 0.712 -7.924 1.00 35.45 H new ATOM 0 HB2 ALA A 50 -3.100 -0.470 -7.409 1.00 35.45 H new ATOM 0 HB3 ALA A 50 -3.077 0.171 -9.069 1.00 35.45 H new ATOM 736 N GLN A 51 -5.125 -0.611 -10.990 1.00 13.34 N ATOM 737 CA GLN A 51 -5.988 -0.214 -12.114 1.00 34.31 C ATOM 738 C GLN A 51 -7.104 -1.220 -12.375 1.00 72.53 C ATOM 739 O GLN A 51 -8.262 -0.837 -12.577 1.00 32.31 O ATOM 740 CB GLN A 51 -5.174 0.034 -13.391 1.00 60.31 C ATOM 741 CG GLN A 51 -4.273 1.258 -13.313 1.00 52.34 C ATOM 742 CD GLN A 51 -3.455 1.513 -14.572 1.00 31.42 C ATOM 743 OE1 GLN A 51 -3.221 2.646 -14.928 1.00 44.42 O ATOM 744 NE2 GLN A 51 -2.923 0.488 -15.172 1.00 51.44 N ATOM 0 H GLN A 51 -4.140 -0.718 -11.232 1.00 13.34 H new ATOM 0 HA GLN A 51 -6.459 0.725 -11.821 1.00 34.31 H new ATOM 0 HB2 GLN A 51 -4.562 -0.844 -13.598 1.00 60.31 H new ATOM 0 HB3 GLN A 51 -5.859 0.151 -14.231 1.00 60.31 H new ATOM 0 HG2 GLN A 51 -4.887 2.135 -13.109 1.00 52.34 H new ATOM 0 HG3 GLN A 51 -3.593 1.141 -12.469 1.00 52.34 H new ATOM 0 HE21 GLN A 51 -3.136 -0.457 -14.853 1.00 51.44 H new ATOM 0 HE22 GLN A 51 -2.293 0.630 -15.961 1.00 51.44 H new ATOM 753 N ASP A 52 -6.751 -2.491 -12.329 1.00 12.23 N ATOM 754 CA ASP A 52 -7.686 -3.603 -12.567 1.00 4.40 C ATOM 755 C ASP A 52 -8.802 -3.568 -11.509 1.00 73.14 C ATOM 756 O ASP A 52 -10.012 -3.673 -11.822 1.00 45.34 O ATOM 757 CB ASP A 52 -6.895 -4.923 -12.467 1.00 51.02 C ATOM 758 CG ASP A 52 -7.659 -6.171 -12.869 1.00 73.22 C ATOM 759 OD1 ASP A 52 -8.459 -6.680 -12.091 1.00 43.33 O ATOM 760 OD2 ASP A 52 -7.411 -6.683 -13.980 1.00 71.53 O ATOM 0 H ASP A 52 -5.799 -2.796 -12.124 1.00 12.23 H new ATOM 0 HA ASP A 52 -8.142 -3.519 -13.554 1.00 4.40 H new ATOM 0 HB2 ASP A 52 -6.007 -4.843 -13.094 1.00 51.02 H new ATOM 0 HB3 ASP A 52 -6.550 -5.043 -11.440 1.00 51.02 H new ATOM 765 N LEU A 53 -8.385 -3.354 -10.271 1.00 63.41 N ATOM 766 CA LEU A 53 -9.288 -3.280 -9.145 1.00 41.42 C ATOM 767 C LEU A 53 -10.166 -2.048 -9.201 1.00 61.13 C ATOM 768 O LEU A 53 -11.390 -2.150 -8.999 1.00 75.04 O ATOM 769 CB LEU A 53 -8.524 -3.360 -7.818 1.00 72.40 C ATOM 770 CG LEU A 53 -7.960 -4.729 -7.457 1.00 3.41 C ATOM 771 CD1 LEU A 53 -7.090 -4.630 -6.215 1.00 52.05 C ATOM 772 CD2 LEU A 53 -9.114 -5.706 -7.217 1.00 75.44 C ATOM 0 H LEU A 53 -7.404 -3.227 -10.023 1.00 63.41 H new ATOM 0 HA LEU A 53 -9.949 -4.145 -9.205 1.00 41.42 H new ATOM 0 HB2 LEU A 53 -7.701 -2.646 -7.851 1.00 72.40 H new ATOM 0 HB3 LEU A 53 -9.191 -3.040 -7.017 1.00 72.40 H new ATOM 0 HG LEU A 53 -7.344 -5.092 -8.280 1.00 3.41 H new ATOM 0 HD11 LEU A 53 -6.694 -5.615 -5.969 1.00 52.05 H new ATOM 0 HD12 LEU A 53 -6.264 -3.944 -6.403 1.00 52.05 H new ATOM 0 HD13 LEU A 53 -7.687 -4.260 -5.381 1.00 52.05 H new ATOM 0 HD21 LEU A 53 -8.713 -6.686 -6.959 1.00 75.44 H new ATOM 0 HD22 LEU A 53 -9.736 -5.341 -6.399 1.00 75.44 H new ATOM 0 HD23 LEU A 53 -9.716 -5.787 -8.122 1.00 75.44 H new ATOM 784 N GLU A 54 -9.573 -0.879 -9.488 1.00 3.44 N ATOM 785 CA GLU A 54 -10.349 0.341 -9.566 1.00 61.13 C ATOM 786 C GLU A 54 -11.438 0.278 -10.585 1.00 2.31 C ATOM 787 O GLU A 54 -12.549 0.619 -10.274 1.00 1.11 O ATOM 788 CB GLU A 54 -9.511 1.576 -9.856 1.00 61.12 C ATOM 789 CG GLU A 54 -8.546 1.994 -8.782 1.00 34.53 C ATOM 790 CD GLU A 54 -7.986 3.354 -9.087 1.00 52.31 C ATOM 791 OE1 GLU A 54 -8.651 4.358 -8.772 1.00 14.23 O ATOM 792 OE2 GLU A 54 -6.910 3.442 -9.695 1.00 0.33 O ATOM 0 H GLU A 54 -8.575 -0.766 -9.665 1.00 3.44 H new ATOM 0 HA GLU A 54 -10.783 0.429 -8.570 1.00 61.13 H new ATOM 0 HB2 GLU A 54 -8.948 1.400 -10.772 1.00 61.12 H new ATOM 0 HB3 GLU A 54 -10.186 2.409 -10.052 1.00 61.12 H new ATOM 0 HG2 GLU A 54 -9.050 2.009 -7.816 1.00 34.53 H new ATOM 0 HG3 GLU A 54 -7.736 1.268 -8.708 1.00 34.53 H new ATOM 799 N ALA A 55 -11.131 -0.171 -11.785 1.00 43.31 N ATOM 800 CA ALA A 55 -12.136 -0.225 -12.856 1.00 42.00 C ATOM 801 C ALA A 55 -13.359 -1.038 -12.414 1.00 30.10 C ATOM 802 O ALA A 55 -14.537 -0.557 -12.515 1.00 31.01 O ATOM 803 CB ALA A 55 -11.524 -0.833 -14.106 1.00 43.33 C ATOM 0 H ALA A 55 -10.205 -0.504 -12.053 1.00 43.31 H new ATOM 0 HA ALA A 55 -12.465 0.791 -13.076 1.00 42.00 H new ATOM 0 HB1 ALA A 55 -12.273 -0.871 -14.897 1.00 43.33 H new ATOM 0 HB2 ALA A 55 -10.682 -0.223 -14.433 1.00 43.33 H new ATOM 0 HB3 ALA A 55 -11.177 -1.843 -13.887 1.00 43.33 H new ATOM 809 N HIS A 56 -13.106 -2.205 -11.849 1.00 11.42 N ATOM 810 CA HIS A 56 -14.197 -3.071 -11.450 1.00 73.14 C ATOM 811 C HIS A 56 -15.042 -2.416 -10.337 1.00 64.15 C ATOM 812 O HIS A 56 -16.254 -2.582 -10.296 1.00 72.13 O ATOM 813 CB HIS A 56 -13.694 -4.462 -11.047 1.00 24.14 C ATOM 814 CG HIS A 56 -14.798 -5.467 -10.882 1.00 72.25 C ATOM 815 ND1 HIS A 56 -15.180 -6.333 -11.880 1.00 54.25 N ATOM 816 CD2 HIS A 56 -15.606 -5.733 -9.837 1.00 61.42 C ATOM 817 CE1 HIS A 56 -16.174 -7.077 -11.456 1.00 41.42 C ATOM 818 NE2 HIS A 56 -16.448 -6.730 -10.225 1.00 22.24 N ATOM 0 H HIS A 56 -12.172 -2.569 -11.659 1.00 11.42 H new ATOM 0 HA HIS A 56 -14.847 -3.211 -12.314 1.00 73.14 H new ATOM 0 HB2 HIS A 56 -12.995 -4.821 -11.802 1.00 24.14 H new ATOM 0 HB3 HIS A 56 -13.140 -4.384 -10.111 1.00 24.14 H new ATOM 0 HD2 HIS A 56 -15.589 -5.247 -8.873 1.00 61.42 H new ATOM 0 HE1 HIS A 56 -16.679 -7.844 -12.025 1.00 41.42 H new ATOM 0 HE2 HIS A 56 -17.179 -7.142 -9.646 1.00 22.24 H new ATOM 827 N PHE A 57 -14.395 -1.667 -9.454 1.00 43.53 N ATOM 828 CA PHE A 57 -15.088 -0.934 -8.402 1.00 13.14 C ATOM 829 C PHE A 57 -15.677 0.384 -8.861 1.00 74.43 C ATOM 830 O PHE A 57 -16.582 0.905 -8.228 1.00 20.03 O ATOM 831 CB PHE A 57 -14.264 -0.753 -7.153 1.00 20.54 C ATOM 832 CG PHE A 57 -14.252 -1.945 -6.268 1.00 65.00 C ATOM 833 CD1 PHE A 57 -15.348 -2.224 -5.486 1.00 74.34 C ATOM 834 CD2 PHE A 57 -13.165 -2.769 -6.195 1.00 1.23 C ATOM 835 CE1 PHE A 57 -15.354 -3.307 -4.647 1.00 4.31 C ATOM 836 CE2 PHE A 57 -13.163 -3.851 -5.354 1.00 43.40 C ATOM 837 CZ PHE A 57 -14.258 -4.115 -4.582 1.00 75.23 C ATOM 0 H PHE A 57 -13.382 -1.550 -9.446 1.00 43.53 H new ATOM 0 HA PHE A 57 -15.927 -1.579 -8.142 1.00 13.14 H new ATOM 0 HB2 PHE A 57 -13.240 -0.511 -7.436 1.00 20.54 H new ATOM 0 HB3 PHE A 57 -14.650 0.100 -6.594 1.00 20.54 H new ATOM 0 HD1 PHE A 57 -16.215 -1.581 -5.534 1.00 74.34 H new ATOM 0 HD2 PHE A 57 -12.298 -2.566 -6.806 1.00 1.23 H new ATOM 0 HE1 PHE A 57 -16.222 -3.519 -4.041 1.00 4.31 H new ATOM 0 HE2 PHE A 57 -12.297 -4.494 -5.302 1.00 43.40 H new ATOM 0 HZ PHE A 57 -14.256 -4.967 -3.918 1.00 75.23 H new ATOM 847 N SER A 58 -15.156 0.924 -9.951 1.00 1.34 N ATOM 848 CA SER A 58 -15.607 2.207 -10.467 1.00 11.11 C ATOM 849 C SER A 58 -17.041 2.109 -10.907 1.00 42.01 C ATOM 850 O SER A 58 -17.779 3.097 -10.896 1.00 3.45 O ATOM 851 CB SER A 58 -14.708 2.724 -11.595 1.00 10.44 C ATOM 852 OG SER A 58 -13.391 2.970 -11.115 1.00 35.21 O ATOM 0 H SER A 58 -14.414 0.489 -10.500 1.00 1.34 H new ATOM 0 HA SER A 58 -15.539 2.937 -9.660 1.00 11.11 H new ATOM 0 HB2 SER A 58 -14.675 1.994 -12.404 1.00 10.44 H new ATOM 0 HB3 SER A 58 -15.127 3.641 -12.009 1.00 10.44 H new ATOM 0 HG SER A 58 -13.089 2.205 -10.582 1.00 35.21 H new ATOM 858 N SER A 59 -17.455 0.907 -11.278 1.00 13.15 N ATOM 859 CA SER A 59 -18.852 0.658 -11.556 1.00 21.43 C ATOM 860 C SER A 59 -19.730 1.008 -10.306 1.00 61.03 C ATOM 861 O SER A 59 -20.859 1.477 -10.435 1.00 0.43 O ATOM 862 CB SER A 59 -19.011 -0.815 -11.892 1.00 24.30 C ATOM 863 OG SER A 59 -18.117 -1.188 -12.933 1.00 32.02 O ATOM 0 H SER A 59 -16.845 0.097 -11.392 1.00 13.15 H new ATOM 0 HA SER A 59 -19.178 1.280 -12.389 1.00 21.43 H new ATOM 0 HB2 SER A 59 -18.818 -1.419 -11.005 1.00 24.30 H new ATOM 0 HB3 SER A 59 -20.038 -1.016 -12.197 1.00 24.30 H new ATOM 0 HG SER A 59 -18.231 -2.140 -13.136 1.00 32.02 H new ATOM 869 N CYS A 60 -19.177 0.809 -9.114 1.00 33.14 N ATOM 870 CA CYS A 60 -19.884 1.079 -7.864 1.00 2.22 C ATOM 871 C CYS A 60 -19.665 2.516 -7.325 1.00 14.24 C ATOM 872 O CYS A 60 -20.173 2.856 -6.253 1.00 62.11 O ATOM 873 CB CYS A 60 -19.488 0.053 -6.796 1.00 41.31 C ATOM 874 SG CYS A 60 -19.899 -1.655 -7.219 1.00 3.41 S ATOM 0 H CYS A 60 -18.228 0.457 -8.986 1.00 33.14 H new ATOM 0 HA CYS A 60 -20.946 0.991 -8.091 1.00 2.22 H new ATOM 0 HB2 CYS A 60 -18.414 0.124 -6.621 1.00 41.31 H new ATOM 0 HB3 CYS A 60 -19.981 0.312 -5.859 1.00 41.31 H new ATOM 0 HG CYS A 60 -20.737 -2.129 -6.345 1.00 3.41 H new ATOM 880 N GLY A 61 -18.963 3.361 -8.065 1.00 3.41 N ATOM 881 CA GLY A 61 -18.755 4.720 -7.579 1.00 63.33 C ATOM 882 C GLY A 61 -17.401 5.295 -7.924 1.00 63.15 C ATOM 883 O GLY A 61 -16.695 4.773 -8.786 1.00 74.33 O ATOM 0 H GLY A 61 -18.542 3.145 -8.969 1.00 3.41 H new ATOM 0 HA2 GLY A 61 -19.529 5.366 -7.994 1.00 63.33 H new ATOM 0 HA3 GLY A 61 -18.878 4.730 -6.496 1.00 63.33 H new ATOM 887 N SER A 62 -17.042 6.380 -7.260 1.00 51.43 N ATOM 888 CA SER A 62 -15.783 7.053 -7.499 1.00 12.02 C ATOM 889 C SER A 62 -14.776 6.695 -6.405 1.00 33.52 C ATOM 890 O SER A 62 -15.034 6.914 -5.214 1.00 10.42 O ATOM 891 CB SER A 62 -16.016 8.560 -7.513 1.00 73.20 C ATOM 892 OG SER A 62 -17.016 8.904 -8.468 1.00 43.11 O ATOM 0 H SER A 62 -17.617 6.817 -6.540 1.00 51.43 H new ATOM 0 HA SER A 62 -15.381 6.734 -8.461 1.00 12.02 H new ATOM 0 HB2 SER A 62 -16.321 8.895 -6.522 1.00 73.20 H new ATOM 0 HB3 SER A 62 -15.085 9.075 -7.751 1.00 73.20 H new ATOM 0 HG SER A 62 -17.154 9.874 -8.462 1.00 43.11 H new ATOM 898 N ILE A 63 -13.654 6.143 -6.805 1.00 4.54 N ATOM 899 CA ILE A 63 -12.621 5.744 -5.876 1.00 22.40 C ATOM 900 C ILE A 63 -11.778 6.929 -5.403 1.00 2.45 C ATOM 901 O ILE A 63 -11.278 7.728 -6.199 1.00 23.43 O ATOM 902 CB ILE A 63 -11.727 4.623 -6.467 1.00 43.20 C ATOM 903 CG1 ILE A 63 -12.624 3.404 -6.747 1.00 3.41 C ATOM 904 CG2 ILE A 63 -10.575 4.267 -5.534 1.00 62.23 C ATOM 905 CD1 ILE A 63 -11.909 2.190 -7.248 1.00 20.01 C ATOM 0 H ILE A 63 -13.431 5.958 -7.783 1.00 4.54 H new ATOM 0 HA ILE A 63 -13.128 5.341 -4.999 1.00 22.40 H new ATOM 0 HB ILE A 63 -11.266 4.968 -7.393 1.00 43.20 H new ATOM 0 HG12 ILE A 63 -13.152 3.143 -5.830 1.00 3.41 H new ATOM 0 HG13 ILE A 63 -13.379 3.689 -7.479 1.00 3.41 H new ATOM 0 HG21 ILE A 63 -9.973 3.478 -5.984 1.00 62.23 H new ATOM 0 HG22 ILE A 63 -9.955 5.148 -5.369 1.00 62.23 H new ATOM 0 HG23 ILE A 63 -10.973 3.920 -4.580 1.00 62.23 H new ATOM 0 HD11 ILE A 63 -12.627 1.387 -7.415 1.00 20.01 H new ATOM 0 HD12 ILE A 63 -11.404 2.426 -8.185 1.00 20.01 H new ATOM 0 HD13 ILE A 63 -11.173 1.871 -6.510 1.00 20.01 H new ATOM 917 N ASN A 64 -11.672 7.031 -4.106 1.00 41.24 N ATOM 918 CA ASN A 64 -10.891 8.040 -3.428 1.00 41.42 C ATOM 919 C ASN A 64 -9.456 7.539 -3.289 1.00 31.51 C ATOM 920 O ASN A 64 -8.520 8.232 -3.619 1.00 10.05 O ATOM 921 CB ASN A 64 -11.535 8.331 -2.040 1.00 13.24 C ATOM 922 CG ASN A 64 -10.819 9.373 -1.176 1.00 51.11 C ATOM 923 OD1 ASN A 64 -9.622 9.527 -1.214 1.00 14.01 O ATOM 924 ND2 ASN A 64 -11.574 10.089 -0.387 1.00 14.22 N ATOM 0 H ASN A 64 -12.143 6.392 -3.465 1.00 41.24 H new ATOM 0 HA ASN A 64 -10.876 8.970 -3.996 1.00 41.42 H new ATOM 0 HB2 ASN A 64 -12.561 8.663 -2.199 1.00 13.24 H new ATOM 0 HB3 ASN A 64 -11.585 7.396 -1.481 1.00 13.24 H new ATOM 0 HD21 ASN A 64 -11.155 10.797 0.215 1.00 14.22 H new ATOM 0 HD22 ASN A 64 -12.583 9.940 -0.373 1.00 14.22 H new ATOM 931 N ARG A 65 -9.301 6.312 -2.849 1.00 31.41 N ATOM 932 CA ARG A 65 -7.972 5.717 -2.671 1.00 24.10 C ATOM 933 C ARG A 65 -8.086 4.220 -2.755 1.00 41.11 C ATOM 934 O ARG A 65 -9.179 3.673 -2.670 1.00 21.44 O ATOM 935 CB ARG A 65 -7.310 6.060 -1.325 1.00 23.13 C ATOM 936 CG ARG A 65 -7.184 7.534 -0.952 1.00 2.45 C ATOM 937 CD ARG A 65 -6.350 7.677 0.308 1.00 3.30 C ATOM 938 NE ARG A 65 -6.820 6.762 1.309 1.00 74.04 N ATOM 939 CZ ARG A 65 -6.152 6.370 2.398 1.00 22.43 C ATOM 940 NH1 ARG A 65 -5.010 6.972 2.754 1.00 13.14 N ATOM 941 NH2 ARG A 65 -6.623 5.365 3.116 1.00 61.02 N ATOM 0 H ARG A 65 -10.075 5.694 -2.603 1.00 31.41 H new ATOM 0 HA ARG A 65 -7.347 6.133 -3.461 1.00 24.10 H new ATOM 0 HB2 ARG A 65 -7.875 5.562 -0.537 1.00 23.13 H new ATOM 0 HB3 ARG A 65 -6.310 5.627 -1.323 1.00 23.13 H new ATOM 0 HG2 ARG A 65 -6.722 8.087 -1.770 1.00 2.45 H new ATOM 0 HG3 ARG A 65 -8.173 7.965 -0.795 1.00 2.45 H new ATOM 0 HD2 ARG A 65 -5.301 7.479 0.085 1.00 3.30 H new ATOM 0 HD3 ARG A 65 -6.410 8.700 0.680 1.00 3.30 H new ATOM 0 HE ARG A 65 -7.754 6.374 1.176 1.00 74.04 H new ATOM 0 HH11 ARG A 65 -4.641 7.739 2.192 1.00 13.14 H new ATOM 0 HH12 ARG A 65 -4.509 6.664 3.587 1.00 13.14 H new ATOM 0 HH21 ARG A 65 -7.486 4.899 2.836 1.00 61.02 H new ATOM 0 HH22 ARG A 65 -6.123 5.055 3.950 1.00 61.02 H new ATOM 955 N ILE A 66 -6.974 3.569 -2.918 1.00 75.22 N ATOM 956 CA ILE A 66 -6.911 2.135 -2.993 1.00 51.10 C ATOM 957 C ILE A 66 -5.591 1.602 -2.442 1.00 60.02 C ATOM 958 O ILE A 66 -4.526 2.104 -2.766 1.00 22.35 O ATOM 959 CB ILE A 66 -7.253 1.573 -4.418 1.00 74.12 C ATOM 960 CG1 ILE A 66 -6.717 0.143 -4.634 1.00 71.43 C ATOM 961 CG2 ILE A 66 -6.875 2.521 -5.534 1.00 53.12 C ATOM 962 CD1 ILE A 66 -7.045 -0.453 -5.985 1.00 43.21 C ATOM 0 H ILE A 66 -6.066 4.026 -3.005 1.00 75.22 H new ATOM 0 HA ILE A 66 -7.701 1.755 -2.345 1.00 51.10 H new ATOM 0 HB ILE A 66 -8.340 1.496 -4.458 1.00 74.12 H new ATOM 0 HG12 ILE A 66 -5.634 0.152 -4.508 1.00 71.43 H new ATOM 0 HG13 ILE A 66 -7.123 -0.505 -3.857 1.00 71.43 H new ATOM 0 HG21 ILE A 66 -7.136 2.076 -6.494 1.00 53.12 H new ATOM 0 HG22 ILE A 66 -7.414 3.461 -5.411 1.00 53.12 H new ATOM 0 HG23 ILE A 66 -5.802 2.711 -5.502 1.00 53.12 H new ATOM 0 HD11 ILE A 66 -6.630 -1.459 -6.049 1.00 43.21 H new ATOM 0 HD12 ILE A 66 -8.127 -0.498 -6.110 1.00 43.21 H new ATOM 0 HD13 ILE A 66 -6.615 0.168 -6.771 1.00 43.21 H new ATOM 974 N THR A 67 -5.697 0.594 -1.620 1.00 21.41 N ATOM 975 CA THR A 67 -4.584 -0.022 -0.943 1.00 41.25 C ATOM 976 C THR A 67 -4.622 -1.518 -1.254 1.00 71.31 C ATOM 977 O THR A 67 -5.668 -2.128 -1.141 1.00 21.31 O ATOM 978 CB THR A 67 -4.735 0.184 0.585 1.00 44.21 C ATOM 979 OG1 THR A 67 -4.864 1.583 0.868 1.00 32.21 O ATOM 980 CG2 THR A 67 -3.536 -0.376 1.346 1.00 23.53 C ATOM 0 H THR A 67 -6.593 0.162 -1.394 1.00 21.41 H new ATOM 0 HA THR A 67 -3.643 0.418 -1.272 1.00 41.25 H new ATOM 0 HB THR A 67 -5.626 -0.352 0.911 1.00 44.21 H new ATOM 0 HG1 THR A 67 -4.961 1.714 1.834 1.00 32.21 H new ATOM 0 HG21 THR A 67 -3.676 -0.214 2.415 1.00 23.53 H new ATOM 0 HG22 THR A 67 -3.447 -1.444 1.149 1.00 23.53 H new ATOM 0 HG23 THR A 67 -2.628 0.130 1.018 1.00 23.53 H new ATOM 988 N ILE A 68 -3.514 -2.104 -1.645 1.00 73.55 N ATOM 989 CA ILE A 68 -3.496 -3.525 -1.964 1.00 64.42 C ATOM 990 C ILE A 68 -2.363 -4.145 -1.188 1.00 33.53 C ATOM 991 O ILE A 68 -1.235 -3.674 -1.290 1.00 73.22 O ATOM 992 CB ILE A 68 -3.230 -3.848 -3.496 1.00 3.55 C ATOM 993 CG1 ILE A 68 -4.009 -2.937 -4.452 1.00 52.11 C ATOM 994 CG2 ILE A 68 -3.564 -5.302 -3.803 1.00 32.43 C ATOM 995 CD1 ILE A 68 -3.339 -1.600 -4.700 1.00 75.40 C ATOM 0 H ILE A 68 -2.617 -1.630 -1.751 1.00 73.55 H new ATOM 0 HA ILE A 68 -4.482 -3.917 -1.713 1.00 64.42 H new ATOM 0 HB ILE A 68 -2.169 -3.662 -3.662 1.00 3.55 H new ATOM 0 HG12 ILE A 68 -4.139 -3.451 -5.405 1.00 52.11 H new ATOM 0 HG13 ILE A 68 -5.005 -2.764 -4.045 1.00 52.11 H new ATOM 0 HG21 ILE A 68 -3.375 -5.504 -4.857 1.00 32.43 H new ATOM 0 HG22 ILE A 68 -2.942 -5.955 -3.191 1.00 32.43 H new ATOM 0 HG23 ILE A 68 -4.614 -5.489 -3.580 1.00 32.43 H new ATOM 0 HD11 ILE A 68 -3.947 -1.010 -5.385 1.00 75.40 H new ATOM 0 HD12 ILE A 68 -3.233 -1.065 -3.756 1.00 75.40 H new ATOM 0 HD13 ILE A 68 -2.354 -1.762 -5.137 1.00 75.40 H new ATOM 1007 N LEU A 69 -2.639 -5.148 -0.396 1.00 33.11 N ATOM 1008 CA LEU A 69 -1.577 -5.825 0.305 1.00 14.11 C ATOM 1009 C LEU A 69 -1.522 -7.283 -0.048 1.00 75.52 C ATOM 1010 O LEU A 69 -2.549 -7.971 -0.084 1.00 65.04 O ATOM 1011 CB LEU A 69 -1.514 -5.588 1.836 1.00 50.31 C ATOM 1012 CG LEU A 69 -2.702 -5.979 2.723 1.00 75.34 C ATOM 1013 CD1 LEU A 69 -2.278 -5.894 4.177 1.00 4.33 C ATOM 1014 CD2 LEU A 69 -3.874 -5.027 2.492 1.00 12.15 C ATOM 0 H LEU A 69 -3.576 -5.511 -0.221 1.00 33.11 H new ATOM 0 HA LEU A 69 -0.669 -5.345 -0.061 1.00 14.11 H new ATOM 0 HB2 LEU A 69 -0.641 -6.122 2.211 1.00 50.31 H new ATOM 0 HB3 LEU A 69 -1.329 -4.525 1.992 1.00 50.31 H new ATOM 0 HG LEU A 69 -3.014 -6.994 2.475 1.00 75.34 H new ATOM 0 HD11 LEU A 69 -3.116 -6.170 4.817 1.00 4.33 H new ATOM 0 HD12 LEU A 69 -1.446 -6.576 4.354 1.00 4.33 H new ATOM 0 HD13 LEU A 69 -1.967 -4.875 4.406 1.00 4.33 H new ATOM 0 HD21 LEU A 69 -4.710 -5.318 3.129 1.00 12.15 H new ATOM 0 HD22 LEU A 69 -3.569 -4.009 2.735 1.00 12.15 H new ATOM 0 HD23 LEU A 69 -4.181 -5.074 1.447 1.00 12.15 H new ATOM 1026 N CYS A 70 -0.355 -7.742 -0.350 1.00 33.21 N ATOM 1027 CA CYS A 70 -0.134 -9.109 -0.680 1.00 41.31 C ATOM 1028 C CYS A 70 0.797 -9.716 0.347 1.00 55.50 C ATOM 1029 O CYS A 70 1.871 -9.150 0.617 1.00 64.35 O ATOM 1030 CB CYS A 70 0.485 -9.196 -2.067 1.00 1.21 C ATOM 1031 SG CYS A 70 -0.524 -8.428 -3.355 1.00 54.45 S ATOM 0 H CYS A 70 0.487 -7.167 -0.375 1.00 33.21 H new ATOM 0 HA CYS A 70 -1.077 -9.655 -0.679 1.00 41.31 H new ATOM 0 HB2 CYS A 70 1.464 -8.718 -2.050 1.00 1.21 H new ATOM 0 HB3 CYS A 70 0.646 -10.244 -2.319 1.00 1.21 H new ATOM 0 HG CYS A 70 -0.147 -8.865 -4.520 1.00 54.45 H new ATOM 1037 N ASP A 71 0.417 -10.828 0.946 1.00 35.45 N ATOM 1038 CA ASP A 71 1.290 -11.443 1.904 1.00 40.04 C ATOM 1039 C ASP A 71 1.929 -12.659 1.280 1.00 22.24 C ATOM 1040 O ASP A 71 1.244 -13.571 0.837 1.00 22.41 O ATOM 1041 CB ASP A 71 0.594 -11.764 3.255 1.00 12.32 C ATOM 1042 CG ASP A 71 -0.419 -12.891 3.230 1.00 31.34 C ATOM 1043 OD1 ASP A 71 -0.013 -14.063 3.371 1.00 51.40 O ATOM 1044 OD2 ASP A 71 -1.620 -12.624 3.130 1.00 71.55 O ATOM 0 H ASP A 71 -0.469 -11.308 0.787 1.00 35.45 H new ATOM 0 HA ASP A 71 2.068 -10.725 2.164 1.00 40.04 H new ATOM 0 HB2 ASP A 71 1.363 -12.010 3.988 1.00 12.32 H new ATOM 0 HB3 ASP A 71 0.095 -10.861 3.607 1.00 12.32 H new ATOM 1049 N LYS A 72 3.243 -12.659 1.188 1.00 15.21 N ATOM 1050 CA LYS A 72 3.917 -13.734 0.517 1.00 71.15 C ATOM 1051 C LYS A 72 4.695 -14.620 1.489 1.00 62.54 C ATOM 1052 O LYS A 72 5.260 -15.647 1.086 1.00 4.42 O ATOM 1053 CB LYS A 72 4.822 -13.194 -0.608 1.00 64.23 C ATOM 1054 CG LYS A 72 5.430 -14.286 -1.486 1.00 0.34 C ATOM 1055 CD LYS A 72 6.347 -13.739 -2.557 1.00 13.31 C ATOM 1056 CE LYS A 72 5.603 -12.900 -3.580 1.00 4.12 C ATOM 1057 NZ LYS A 72 6.500 -12.415 -4.632 1.00 23.52 N ATOM 0 H LYS A 72 3.853 -11.934 1.566 1.00 15.21 H new ATOM 0 HA LYS A 72 3.154 -14.366 0.062 1.00 71.15 H new ATOM 0 HB2 LYS A 72 4.242 -12.517 -1.235 1.00 64.23 H new ATOM 0 HB3 LYS A 72 5.626 -12.607 -0.165 1.00 64.23 H new ATOM 0 HG2 LYS A 72 5.987 -14.981 -0.858 1.00 0.34 H new ATOM 0 HG3 LYS A 72 4.628 -14.854 -1.957 1.00 0.34 H new ATOM 0 HD2 LYS A 72 7.125 -13.134 -2.091 1.00 13.31 H new ATOM 0 HD3 LYS A 72 6.846 -14.566 -3.062 1.00 13.31 H new ATOM 0 HE2 LYS A 72 4.804 -13.492 -4.026 1.00 4.12 H new ATOM 0 HE3 LYS A 72 5.132 -12.052 -3.083 1.00 4.12 H new ATOM 0 HZ1 LYS A 72 5.951 -11.888 -5.341 1.00 23.52 H new ATOM 0 HZ2 LYS A 72 7.218 -11.789 -4.215 1.00 23.52 H new ATOM 0 HZ3 LYS A 72 6.969 -13.223 -5.088 1.00 23.52 H new ATOM 1071 N PHE A 73 4.727 -14.254 2.784 1.00 3.42 N ATOM 1072 CA PHE A 73 5.407 -15.127 3.772 1.00 42.05 C ATOM 1073 C PHE A 73 4.785 -16.554 3.784 1.00 24.23 C ATOM 1074 O PHE A 73 5.398 -17.514 4.242 1.00 41.54 O ATOM 1075 CB PHE A 73 5.342 -14.532 5.185 1.00 25.52 C ATOM 1076 CG PHE A 73 3.965 -14.469 5.759 1.00 14.13 C ATOM 1077 CD1 PHE A 73 3.460 -15.531 6.494 1.00 54.22 C ATOM 1078 CD2 PHE A 73 3.173 -13.375 5.552 1.00 3.32 C ATOM 1079 CE1 PHE A 73 2.191 -15.500 7.001 1.00 54.43 C ATOM 1080 CE2 PHE A 73 1.899 -13.336 6.065 1.00 51.50 C ATOM 1081 CZ PHE A 73 1.407 -14.402 6.787 1.00 2.51 C ATOM 0 H PHE A 73 4.313 -13.402 3.163 1.00 3.42 H new ATOM 0 HA PHE A 73 6.451 -15.196 3.468 1.00 42.05 H new ATOM 0 HB2 PHE A 73 5.973 -15.126 5.847 1.00 25.52 H new ATOM 0 HB3 PHE A 73 5.761 -13.526 5.163 1.00 25.52 H new ATOM 0 HD1 PHE A 73 4.080 -16.398 6.669 1.00 54.22 H new ATOM 0 HD2 PHE A 73 3.550 -12.538 4.983 1.00 3.32 H new ATOM 0 HE1 PHE A 73 1.811 -16.338 7.567 1.00 54.43 H new ATOM 0 HE2 PHE A 73 1.280 -12.466 5.902 1.00 51.50 H new ATOM 0 HZ PHE A 73 0.403 -14.369 7.183 1.00 2.51 H new ATOM 1091 N SER A 74 3.563 -16.662 3.285 1.00 40.14 N ATOM 1092 CA SER A 74 2.834 -17.909 3.242 1.00 1.41 C ATOM 1093 C SER A 74 3.304 -18.800 2.061 1.00 61.45 C ATOM 1094 O SER A 74 2.840 -19.927 1.898 1.00 35.52 O ATOM 1095 CB SER A 74 1.325 -17.589 3.126 1.00 13.21 C ATOM 1096 OG SER A 74 0.512 -18.753 3.196 1.00 30.03 O ATOM 0 H SER A 74 3.048 -15.873 2.895 1.00 40.14 H new ATOM 0 HA SER A 74 3.025 -18.471 4.156 1.00 1.41 H new ATOM 0 HB2 SER A 74 1.041 -16.903 3.924 1.00 13.21 H new ATOM 0 HB3 SER A 74 1.138 -17.076 2.183 1.00 13.21 H new ATOM 0 HG SER A 74 0.972 -19.500 2.759 1.00 30.03 H new ATOM 1102 N GLY A 75 4.212 -18.288 1.245 1.00 64.33 N ATOM 1103 CA GLY A 75 4.697 -19.044 0.099 1.00 35.41 C ATOM 1104 C GLY A 75 3.986 -18.597 -1.139 1.00 33.22 C ATOM 1105 O GLY A 75 4.594 -18.084 -2.076 1.00 4.03 O ATOM 0 H GLY A 75 4.625 -17.362 1.352 1.00 64.33 H new ATOM 0 HA2 GLY A 75 5.771 -18.900 -0.015 1.00 35.41 H new ATOM 0 HA3 GLY A 75 4.533 -20.110 0.259 1.00 35.41 H new ATOM 1109 N HIS A 76 2.696 -18.770 -1.128 1.00 12.44 N ATOM 1110 CA HIS A 76 1.864 -18.257 -2.181 1.00 13.41 C ATOM 1111 C HIS A 76 1.356 -16.941 -1.720 1.00 70.53 C ATOM 1112 O HIS A 76 0.715 -16.865 -0.665 1.00 45.25 O ATOM 1113 CB HIS A 76 0.697 -19.175 -2.568 1.00 44.30 C ATOM 1114 CG HIS A 76 1.116 -20.468 -3.180 1.00 11.21 C ATOM 1115 ND1 HIS A 76 0.827 -21.691 -2.635 1.00 63.40 N ATOM 1116 CD2 HIS A 76 1.778 -20.721 -4.326 1.00 60.52 C ATOM 1117 CE1 HIS A 76 1.299 -22.639 -3.412 1.00 30.21 C ATOM 1118 NE2 HIS A 76 1.883 -22.076 -4.448 1.00 4.32 N ATOM 0 H HIS A 76 2.192 -19.268 -0.394 1.00 12.44 H new ATOM 0 HA HIS A 76 2.464 -18.178 -3.088 1.00 13.41 H new ATOM 0 HB2 HIS A 76 0.102 -19.382 -1.679 1.00 44.30 H new ATOM 0 HB3 HIS A 76 0.050 -18.647 -3.268 1.00 44.30 H new ATOM 0 HD2 HIS A 76 2.156 -19.986 -5.021 1.00 60.52 H new ATOM 0 HE1 HIS A 76 1.221 -23.701 -3.231 1.00 30.21 H new ATOM 0 HE2 HIS A 76 2.339 -22.570 -5.215 1.00 4.32 H new ATOM 1127 N PRO A 77 1.650 -15.883 -2.452 1.00 74.21 N ATOM 1128 CA PRO A 77 1.265 -14.552 -2.054 1.00 11.33 C ATOM 1129 C PRO A 77 -0.231 -14.362 -2.132 1.00 11.12 C ATOM 1130 O PRO A 77 -0.846 -14.504 -3.202 1.00 71.34 O ATOM 1131 CB PRO A 77 2.004 -13.661 -3.045 1.00 54.42 C ATOM 1132 CG PRO A 77 2.151 -14.508 -4.258 1.00 1.24 C ATOM 1133 CD PRO A 77 2.357 -15.895 -3.751 1.00 31.14 C ATOM 0 HA PRO A 77 1.518 -14.327 -1.018 1.00 11.33 H new ATOM 0 HB2 PRO A 77 1.442 -12.752 -3.260 1.00 54.42 H new ATOM 0 HB3 PRO A 77 2.974 -13.351 -2.656 1.00 54.42 H new ATOM 0 HG2 PRO A 77 1.264 -14.448 -4.889 1.00 1.24 H new ATOM 0 HG3 PRO A 77 2.996 -14.182 -4.865 1.00 1.24 H new ATOM 0 HD2 PRO A 77 1.941 -16.639 -4.430 1.00 31.14 H new ATOM 0 HD3 PRO A 77 3.415 -16.128 -3.632 1.00 31.14 H new ATOM 1141 N LYS A 78 -0.817 -14.066 -1.013 1.00 73.34 N ATOM 1142 CA LYS A 78 -2.233 -13.876 -0.939 1.00 43.12 C ATOM 1143 C LYS A 78 -2.495 -12.431 -1.046 1.00 4.21 C ATOM 1144 O LYS A 78 -1.651 -11.634 -0.667 1.00 73.24 O ATOM 1145 CB LYS A 78 -2.820 -14.387 0.382 1.00 13.33 C ATOM 1146 CG LYS A 78 -2.460 -15.815 0.724 1.00 75.24 C ATOM 1147 CD LYS A 78 -3.389 -16.391 1.806 1.00 13.14 C ATOM 1148 CE LYS A 78 -3.377 -15.591 3.115 1.00 22.25 C ATOM 1149 NZ LYS A 78 -2.063 -15.602 3.800 1.00 2.20 N ATOM 0 H LYS A 78 -0.328 -13.949 -0.126 1.00 73.34 H new ATOM 0 HA LYS A 78 -2.702 -14.440 -1.745 1.00 43.12 H new ATOM 0 HB2 LYS A 78 -2.481 -13.738 1.189 1.00 13.33 H new ATOM 0 HB3 LYS A 78 -3.906 -14.301 0.339 1.00 13.33 H new ATOM 0 HG2 LYS A 78 -2.521 -16.431 -0.173 1.00 75.24 H new ATOM 0 HG3 LYS A 78 -1.427 -15.857 1.070 1.00 75.24 H new ATOM 0 HD2 LYS A 78 -4.407 -16.423 1.419 1.00 13.14 H new ATOM 0 HD3 LYS A 78 -3.095 -17.419 2.016 1.00 13.14 H new ATOM 0 HE2 LYS A 78 -3.660 -14.560 2.904 1.00 22.25 H new ATOM 0 HE3 LYS A 78 -4.132 -15.998 3.788 1.00 22.25 H new ATOM 0 HZ1 LYS A 78 -2.119 -15.030 4.667 1.00 2.20 H new ATOM 0 HZ2 LYS A 78 -1.808 -16.580 4.046 1.00 2.20 H new ATOM 0 HZ3 LYS A 78 -1.339 -15.204 3.169 1.00 2.20 H new ATOM 1163 N GLY A 79 -3.620 -12.073 -1.544 1.00 3.31 N ATOM 1164 CA GLY A 79 -3.891 -10.702 -1.684 1.00 2.24 C ATOM 1165 C GLY A 79 -5.212 -10.298 -1.127 1.00 4.41 C ATOM 1166 O GLY A 79 -6.198 -11.050 -1.190 1.00 12.12 O ATOM 0 H GLY A 79 -4.357 -12.705 -1.857 1.00 3.31 H new ATOM 0 HA2 GLY A 79 -3.106 -10.132 -1.187 1.00 2.24 H new ATOM 0 HA3 GLY A 79 -3.855 -10.439 -2.741 1.00 2.24 H new ATOM 1170 N TYR A 80 -5.226 -9.127 -0.575 1.00 51.34 N ATOM 1171 CA TYR A 80 -6.413 -8.480 -0.128 1.00 31.33 C ATOM 1172 C TYR A 80 -6.212 -6.985 -0.191 1.00 43.01 C ATOM 1173 O TYR A 80 -5.099 -6.500 -0.023 1.00 60.35 O ATOM 1174 CB TYR A 80 -6.978 -9.018 1.222 1.00 50.53 C ATOM 1175 CG TYR A 80 -6.091 -8.972 2.455 1.00 3.42 C ATOM 1176 CD1 TYR A 80 -5.166 -9.983 2.725 1.00 54.53 C ATOM 1177 CD2 TYR A 80 -6.222 -7.951 3.373 1.00 33.24 C ATOM 1178 CE1 TYR A 80 -4.399 -9.956 3.880 1.00 14.43 C ATOM 1179 CE2 TYR A 80 -5.471 -7.923 4.528 1.00 20.33 C ATOM 1180 CZ TYR A 80 -4.565 -8.918 4.780 1.00 24.32 C ATOM 1181 OH TYR A 80 -3.834 -8.885 5.945 1.00 13.32 O ATOM 0 H TYR A 80 -4.381 -8.578 -0.419 1.00 51.34 H new ATOM 0 HA TYR A 80 -7.223 -8.736 -0.811 1.00 31.33 H new ATOM 0 HB2 TYR A 80 -7.886 -8.458 1.447 1.00 50.53 H new ATOM 0 HB3 TYR A 80 -7.274 -10.055 1.066 1.00 50.53 H new ATOM 0 HD1 TYR A 80 -5.046 -10.797 2.025 1.00 54.53 H new ATOM 0 HD2 TYR A 80 -6.928 -7.156 3.183 1.00 33.24 H new ATOM 0 HE1 TYR A 80 -3.679 -10.737 4.075 1.00 14.43 H new ATOM 0 HE2 TYR A 80 -5.597 -7.116 5.235 1.00 20.33 H new ATOM 0 HH TYR A 80 -4.075 -8.087 6.460 1.00 13.32 H new ATOM 1191 N ALA A 81 -7.246 -6.267 -0.482 1.00 64.21 N ATOM 1192 CA ALA A 81 -7.132 -4.857 -0.736 1.00 71.20 C ATOM 1193 C ALA A 81 -8.182 -4.076 0.013 1.00 45.24 C ATOM 1194 O ALA A 81 -9.217 -4.604 0.358 1.00 44.50 O ATOM 1195 CB ALA A 81 -7.260 -4.600 -2.237 1.00 4.11 C ATOM 0 H ALA A 81 -8.195 -6.634 -0.552 1.00 64.21 H new ATOM 0 HA ALA A 81 -6.156 -4.522 -0.385 1.00 71.20 H new ATOM 0 HB1 ALA A 81 -7.174 -3.531 -2.432 1.00 4.11 H new ATOM 0 HB2 ALA A 81 -6.468 -5.130 -2.766 1.00 4.11 H new ATOM 0 HB3 ALA A 81 -8.230 -4.955 -2.586 1.00 4.11 H new ATOM 1201 N TYR A 82 -7.891 -2.841 0.292 1.00 64.14 N ATOM 1202 CA TYR A 82 -8.822 -1.938 0.923 1.00 5.10 C ATOM 1203 C TYR A 82 -8.930 -0.696 0.083 1.00 63.30 C ATOM 1204 O TYR A 82 -7.934 -0.063 -0.221 1.00 34.42 O ATOM 1205 CB TYR A 82 -8.389 -1.615 2.358 1.00 44.32 C ATOM 1206 CG TYR A 82 -8.448 -2.822 3.263 1.00 1.42 C ATOM 1207 CD1 TYR A 82 -7.387 -3.708 3.350 1.00 32.13 C ATOM 1208 CD2 TYR A 82 -9.580 -3.084 4.007 1.00 4.32 C ATOM 1209 CE1 TYR A 82 -7.461 -4.818 4.157 1.00 41.13 C ATOM 1210 CE2 TYR A 82 -9.664 -4.193 4.808 1.00 15.24 C ATOM 1211 CZ TYR A 82 -8.602 -5.055 4.882 1.00 60.33 C ATOM 1212 OH TYR A 82 -8.704 -6.170 5.655 1.00 31.15 O ATOM 0 H TYR A 82 -6.985 -2.420 0.086 1.00 64.14 H new ATOM 0 HA TYR A 82 -9.803 -2.409 0.992 1.00 5.10 H new ATOM 0 HB2 TYR A 82 -7.373 -1.221 2.348 1.00 44.32 H new ATOM 0 HB3 TYR A 82 -9.031 -0.831 2.760 1.00 44.32 H new ATOM 0 HD1 TYR A 82 -6.490 -3.524 2.777 1.00 32.13 H new ATOM 0 HD2 TYR A 82 -10.416 -2.402 3.957 1.00 4.32 H new ATOM 0 HE1 TYR A 82 -6.626 -5.500 4.220 1.00 41.13 H new ATOM 0 HE2 TYR A 82 -10.561 -4.386 5.377 1.00 15.24 H new ATOM 0 HH TYR A 82 -9.193 -6.864 5.165 1.00 31.15 H new ATOM 1222 N ILE A 83 -10.120 -0.389 -0.333 1.00 2.32 N ATOM 1223 CA ILE A 83 -10.357 0.715 -1.237 1.00 61.51 C ATOM 1224 C ILE A 83 -11.345 1.721 -0.626 1.00 61.10 C ATOM 1225 O ILE A 83 -12.361 1.321 -0.076 1.00 54.42 O ATOM 1226 CB ILE A 83 -10.903 0.139 -2.591 1.00 30.11 C ATOM 1227 CG1 ILE A 83 -9.871 -0.772 -3.271 1.00 43.43 C ATOM 1228 CG2 ILE A 83 -11.446 1.189 -3.532 1.00 70.12 C ATOM 1229 CD1 ILE A 83 -10.351 -1.408 -4.562 1.00 25.23 C ATOM 0 H ILE A 83 -10.963 -0.894 -0.059 1.00 2.32 H new ATOM 0 HA ILE A 83 -9.425 1.251 -1.417 1.00 61.51 H new ATOM 0 HB ILE A 83 -11.765 -0.473 -2.326 1.00 30.11 H new ATOM 0 HG12 ILE A 83 -8.972 -0.191 -3.479 1.00 43.43 H new ATOM 0 HG13 ILE A 83 -9.587 -1.561 -2.575 1.00 43.43 H new ATOM 0 HG21 ILE A 83 -11.803 0.711 -4.444 1.00 70.12 H new ATOM 0 HG22 ILE A 83 -12.270 1.717 -3.052 1.00 70.12 H new ATOM 0 HG23 ILE A 83 -10.657 1.898 -3.780 1.00 70.12 H new ATOM 0 HD11 ILE A 83 -9.560 -2.035 -4.975 1.00 25.23 H new ATOM 0 HD12 ILE A 83 -11.231 -2.019 -4.361 1.00 25.23 H new ATOM 0 HD13 ILE A 83 -10.607 -0.628 -5.279 1.00 25.23 H new ATOM 1241 N GLU A 84 -11.025 3.008 -0.716 1.00 10.45 N ATOM 1242 CA GLU A 84 -11.902 4.067 -0.209 1.00 53.44 C ATOM 1243 C GLU A 84 -12.635 4.699 -1.376 1.00 63.14 C ATOM 1244 O GLU A 84 -12.026 4.995 -2.404 1.00 24.30 O ATOM 1245 CB GLU A 84 -11.147 5.234 0.470 1.00 31.24 C ATOM 1246 CG GLU A 84 -10.303 4.991 1.710 1.00 24.15 C ATOM 1247 CD GLU A 84 -9.237 3.950 1.597 1.00 3.42 C ATOM 1248 OE1 GLU A 84 -8.238 4.208 0.929 1.00 52.52 O ATOM 1249 OE2 GLU A 84 -9.358 2.908 2.261 1.00 61.14 O ATOM 0 H GLU A 84 -10.160 3.348 -1.137 1.00 10.45 H new ATOM 0 HA GLU A 84 -12.552 3.583 0.520 1.00 53.44 H new ATOM 0 HB2 GLU A 84 -10.493 5.675 -0.282 1.00 31.24 H new ATOM 0 HB3 GLU A 84 -11.889 5.989 0.729 1.00 31.24 H new ATOM 0 HG2 GLU A 84 -9.832 5.933 1.992 1.00 24.15 H new ATOM 0 HG3 GLU A 84 -10.969 4.711 2.526 1.00 24.15 H new ATOM 1256 N PHE A 85 -13.907 4.902 -1.238 1.00 51.32 N ATOM 1257 CA PHE A 85 -14.678 5.632 -2.227 1.00 41.42 C ATOM 1258 C PHE A 85 -14.943 7.046 -1.734 1.00 44.33 C ATOM 1259 O PHE A 85 -14.820 7.322 -0.548 1.00 11.23 O ATOM 1260 CB PHE A 85 -16.003 4.937 -2.506 1.00 62.30 C ATOM 1261 CG PHE A 85 -15.879 3.582 -3.124 1.00 71.20 C ATOM 1262 CD1 PHE A 85 -15.762 2.455 -2.336 1.00 3.22 C ATOM 1263 CD2 PHE A 85 -15.886 3.437 -4.502 1.00 43.01 C ATOM 1264 CE1 PHE A 85 -15.655 1.210 -2.906 1.00 34.03 C ATOM 1265 CE2 PHE A 85 -15.780 2.194 -5.076 1.00 23.31 C ATOM 1266 CZ PHE A 85 -15.662 1.078 -4.275 1.00 43.03 C ATOM 0 H PHE A 85 -14.452 4.572 -0.441 1.00 51.32 H new ATOM 0 HA PHE A 85 -14.101 5.666 -3.151 1.00 41.42 H new ATOM 0 HB2 PHE A 85 -16.554 4.846 -1.570 1.00 62.30 H new ATOM 0 HB3 PHE A 85 -16.598 5.569 -3.165 1.00 62.30 H new ATOM 0 HD1 PHE A 85 -15.755 2.553 -1.260 1.00 3.22 H new ATOM 0 HD2 PHE A 85 -15.976 4.310 -5.131 1.00 43.01 H new ATOM 0 HE1 PHE A 85 -15.565 0.335 -2.279 1.00 34.03 H new ATOM 0 HE2 PHE A 85 -15.789 2.091 -6.151 1.00 23.31 H new ATOM 0 HZ PHE A 85 -15.575 0.099 -4.723 1.00 43.03 H new ATOM 1276 N ALA A 86 -15.266 7.943 -2.645 1.00 51.40 N ATOM 1277 CA ALA A 86 -15.601 9.318 -2.281 1.00 53.31 C ATOM 1278 C ALA A 86 -16.856 9.374 -1.403 1.00 23.33 C ATOM 1279 O ALA A 86 -16.951 10.187 -0.490 1.00 73.20 O ATOM 1280 CB ALA A 86 -15.787 10.166 -3.528 1.00 52.13 C ATOM 0 H ALA A 86 -15.305 7.750 -3.646 1.00 51.40 H new ATOM 0 HA ALA A 86 -14.771 9.722 -1.702 1.00 53.31 H new ATOM 0 HB1 ALA A 86 -16.036 11.187 -3.240 1.00 52.13 H new ATOM 0 HB2 ALA A 86 -14.864 10.168 -4.108 1.00 52.13 H new ATOM 0 HB3 ALA A 86 -16.594 9.752 -4.132 1.00 52.13 H new ATOM 1286 N GLU A 87 -17.814 8.518 -1.703 1.00 42.51 N ATOM 1287 CA GLU A 87 -19.057 8.457 -0.948 1.00 1.23 C ATOM 1288 C GLU A 87 -19.151 7.175 -0.137 1.00 33.15 C ATOM 1289 O GLU A 87 -18.631 6.135 -0.537 1.00 32.04 O ATOM 1290 CB GLU A 87 -20.231 8.524 -1.890 1.00 2.41 C ATOM 1291 CG GLU A 87 -20.273 9.764 -2.732 1.00 1.22 C ATOM 1292 CD GLU A 87 -21.379 9.707 -3.719 1.00 32.32 C ATOM 1293 OE1 GLU A 87 -21.157 9.192 -4.829 1.00 32.30 O ATOM 1294 OE2 GLU A 87 -22.498 10.151 -3.404 1.00 70.23 O ATOM 0 H GLU A 87 -17.757 7.849 -2.471 1.00 42.51 H new ATOM 0 HA GLU A 87 -19.071 9.306 -0.264 1.00 1.23 H new ATOM 0 HB2 GLU A 87 -20.207 7.654 -2.546 1.00 2.41 H new ATOM 0 HB3 GLU A 87 -21.152 8.461 -1.310 1.00 2.41 H new ATOM 0 HG2 GLU A 87 -20.399 10.637 -2.092 1.00 1.22 H new ATOM 0 HG3 GLU A 87 -19.323 9.885 -3.253 1.00 1.22 H new ATOM 1301 N ARG A 88 -19.837 7.249 0.992 1.00 42.41 N ATOM 1302 CA ARG A 88 -20.037 6.095 1.862 1.00 70.21 C ATOM 1303 C ARG A 88 -21.089 5.189 1.186 1.00 44.23 C ATOM 1304 O ARG A 88 -21.064 3.961 1.300 1.00 52.54 O ATOM 1305 CB ARG A 88 -20.532 6.592 3.249 1.00 40.40 C ATOM 1306 CG ARG A 88 -20.233 5.684 4.462 1.00 51.33 C ATOM 1307 CD ARG A 88 -20.856 4.301 4.388 1.00 63.41 C ATOM 1308 NE ARG A 88 -22.314 4.340 4.365 1.00 52.01 N ATOM 1309 CZ ARG A 88 -23.105 3.267 4.404 1.00 70.34 C ATOM 1310 NH1 ARG A 88 -22.581 2.046 4.512 1.00 24.24 N ATOM 1311 NH2 ARG A 88 -24.415 3.420 4.354 1.00 2.32 N ATOM 0 H ARG A 88 -20.271 8.107 1.333 1.00 42.41 H new ATOM 0 HA ARG A 88 -19.114 5.535 2.014 1.00 70.21 H new ATOM 0 HB2 ARG A 88 -20.087 7.569 3.438 1.00 40.40 H new ATOM 0 HB3 ARG A 88 -21.611 6.739 3.192 1.00 40.40 H new ATOM 0 HG2 ARG A 88 -19.153 5.576 4.560 1.00 51.33 H new ATOM 0 HG3 ARG A 88 -20.588 6.180 5.366 1.00 51.33 H new ATOM 0 HD2 ARG A 88 -20.496 3.793 3.494 1.00 63.41 H new ATOM 0 HD3 ARG A 88 -20.526 3.712 5.244 1.00 63.41 H new ATOM 0 HE ARG A 88 -22.761 5.255 4.315 1.00 52.01 H new ATOM 0 HH11 ARG A 88 -21.569 1.928 4.565 1.00 24.24 H new ATOM 0 HH12 ARG A 88 -23.192 1.230 4.541 1.00 24.24 H new ATOM 0 HH21 ARG A 88 -24.817 4.355 4.286 1.00 2.32 H new ATOM 0 HH22 ARG A 88 -25.025 2.603 4.383 1.00 2.32 H new ATOM 1325 N ASN A 89 -21.985 5.819 0.435 1.00 44.31 N ATOM 1326 CA ASN A 89 -23.031 5.091 -0.292 1.00 43.53 C ATOM 1327 C ASN A 89 -22.444 4.248 -1.398 1.00 73.24 C ATOM 1328 O ASN A 89 -23.048 3.278 -1.838 1.00 22.14 O ATOM 1329 CB ASN A 89 -24.109 6.023 -0.853 1.00 11.14 C ATOM 1330 CG ASN A 89 -24.876 6.748 0.228 1.00 52.13 C ATOM 1331 OD1 ASN A 89 -24.541 7.869 0.596 1.00 32.12 O ATOM 1332 ND2 ASN A 89 -25.876 6.107 0.773 1.00 42.11 N ATOM 0 H ASN A 89 -22.012 6.831 0.310 1.00 44.31 H new ATOM 0 HA ASN A 89 -23.510 4.434 0.434 1.00 43.53 H new ATOM 0 HB2 ASN A 89 -23.643 6.754 -1.514 1.00 11.14 H new ATOM 0 HB3 ASN A 89 -24.805 5.443 -1.459 1.00 11.14 H new ATOM 0 HD21 ASN A 89 -26.406 6.538 1.530 1.00 42.11 H new ATOM 0 HD22 ASN A 89 -26.126 5.176 0.441 1.00 42.11 H new ATOM 1339 N SER A 90 -21.249 4.594 -1.826 1.00 52.12 N ATOM 1340 CA SER A 90 -20.563 3.845 -2.830 1.00 40.41 C ATOM 1341 C SER A 90 -20.122 2.504 -2.251 1.00 72.54 C ATOM 1342 O SER A 90 -20.132 1.490 -2.946 1.00 23.33 O ATOM 1343 CB SER A 90 -19.373 4.632 -3.342 1.00 72.22 C ATOM 1344 OG SER A 90 -19.779 5.906 -3.813 1.00 14.03 O ATOM 0 H SER A 90 -20.734 5.404 -1.481 1.00 52.12 H new ATOM 0 HA SER A 90 -21.233 3.659 -3.670 1.00 40.41 H new ATOM 0 HB2 SER A 90 -18.639 4.751 -2.545 1.00 72.22 H new ATOM 0 HB3 SER A 90 -18.885 4.081 -4.145 1.00 72.22 H new ATOM 0 HG SER A 90 -18.997 6.399 -4.138 1.00 14.03 H new ATOM 1350 N VAL A 91 -19.745 2.498 -0.953 1.00 25.13 N ATOM 1351 CA VAL A 91 -19.320 1.257 -0.318 1.00 34.52 C ATOM 1352 C VAL A 91 -20.500 0.330 -0.263 1.00 65.12 C ATOM 1353 O VAL A 91 -20.359 -0.857 -0.458 1.00 12.11 O ATOM 1354 CB VAL A 91 -18.681 1.416 1.115 1.00 12.04 C ATOM 1355 CG1 VAL A 91 -17.766 2.601 1.199 1.00 0.43 C ATOM 1356 CG2 VAL A 91 -19.667 1.333 2.297 1.00 24.31 C ATOM 0 H VAL A 91 -19.730 3.320 -0.349 1.00 25.13 H new ATOM 0 HA VAL A 91 -18.513 0.855 -0.930 1.00 34.52 H new ATOM 0 HB VAL A 91 -18.070 0.522 1.236 1.00 12.04 H new ATOM 0 HG11 VAL A 91 -17.350 2.669 2.204 1.00 0.43 H new ATOM 0 HG12 VAL A 91 -16.956 2.487 0.478 1.00 0.43 H new ATOM 0 HG13 VAL A 91 -18.326 3.509 0.976 1.00 0.43 H new ATOM 0 HG21 VAL A 91 -19.123 1.455 3.234 1.00 24.31 H new ATOM 0 HG22 VAL A 91 -20.413 2.123 2.205 1.00 24.31 H new ATOM 0 HG23 VAL A 91 -20.163 0.363 2.289 1.00 24.31 H new ATOM 1366 N ASP A 92 -21.686 0.904 -0.002 1.00 15.53 N ATOM 1367 CA ASP A 92 -22.944 0.150 0.025 1.00 73.41 C ATOM 1368 C ASP A 92 -23.161 -0.575 -1.305 1.00 41.32 C ATOM 1369 O ASP A 92 -23.618 -1.720 -1.341 1.00 13.04 O ATOM 1370 CB ASP A 92 -24.111 1.106 0.290 1.00 62.23 C ATOM 1371 CG ASP A 92 -25.440 0.391 0.450 1.00 73.23 C ATOM 1372 OD1 ASP A 92 -26.158 0.191 -0.550 1.00 24.33 O ATOM 1373 OD2 ASP A 92 -25.796 0.032 1.593 1.00 35.02 O ATOM 0 H ASP A 92 -21.797 1.899 0.195 1.00 15.53 H new ATOM 0 HA ASP A 92 -22.893 -0.591 0.822 1.00 73.41 H new ATOM 0 HB2 ASP A 92 -23.904 1.682 1.192 1.00 62.23 H new ATOM 0 HB3 ASP A 92 -24.184 1.817 -0.533 1.00 62.23 H new ATOM 1378 N ALA A 93 -22.802 0.089 -2.388 1.00 44.13 N ATOM 1379 CA ALA A 93 -22.913 -0.481 -3.720 1.00 50.35 C ATOM 1380 C ALA A 93 -21.830 -1.543 -3.966 1.00 24.20 C ATOM 1381 O ALA A 93 -22.029 -2.507 -4.701 1.00 62.10 O ATOM 1382 CB ALA A 93 -22.845 0.610 -4.779 1.00 32.30 C ATOM 0 H ALA A 93 -22.426 1.037 -2.371 1.00 44.13 H new ATOM 0 HA ALA A 93 -23.883 -0.972 -3.791 1.00 50.35 H new ATOM 0 HB1 ALA A 93 -22.930 0.162 -5.769 1.00 32.30 H new ATOM 0 HB2 ALA A 93 -23.663 1.315 -4.628 1.00 32.30 H new ATOM 0 HB3 ALA A 93 -21.894 1.136 -4.699 1.00 32.30 H new ATOM 1388 N ALA A 94 -20.680 -1.346 -3.341 1.00 44.43 N ATOM 1389 CA ALA A 94 -19.553 -2.260 -3.478 1.00 53.21 C ATOM 1390 C ALA A 94 -19.778 -3.526 -2.653 1.00 71.12 C ATOM 1391 O ALA A 94 -19.552 -4.624 -3.124 1.00 34.35 O ATOM 1392 CB ALA A 94 -18.244 -1.571 -3.092 1.00 60.21 C ATOM 0 H ALA A 94 -20.500 -0.552 -2.727 1.00 44.43 H new ATOM 0 HA ALA A 94 -19.477 -2.554 -4.525 1.00 53.21 H new ATOM 0 HB1 ALA A 94 -17.417 -2.273 -3.202 1.00 60.21 H new ATOM 0 HB2 ALA A 94 -18.080 -0.712 -3.742 1.00 60.21 H new ATOM 0 HB3 ALA A 94 -18.301 -1.237 -2.056 1.00 60.21 H new ATOM 1398 N VAL A 95 -20.236 -3.353 -1.416 1.00 13.34 N ATOM 1399 CA VAL A 95 -20.558 -4.478 -0.524 1.00 12.31 C ATOM 1400 C VAL A 95 -21.679 -5.343 -1.080 1.00 14.13 C ATOM 1401 O VAL A 95 -21.820 -6.490 -0.707 1.00 25.40 O ATOM 1402 CB VAL A 95 -20.842 -4.066 0.946 1.00 53.11 C ATOM 1403 CG1 VAL A 95 -19.657 -3.329 1.527 1.00 72.33 C ATOM 1404 CG2 VAL A 95 -22.111 -3.244 1.077 1.00 65.43 C ATOM 0 H VAL A 95 -20.396 -2.436 -0.999 1.00 13.34 H new ATOM 0 HA VAL A 95 -19.648 -5.077 -0.491 1.00 12.31 H new ATOM 0 HB VAL A 95 -20.999 -4.982 1.516 1.00 53.11 H new ATOM 0 HG11 VAL A 95 -19.873 -3.048 2.558 1.00 72.33 H new ATOM 0 HG12 VAL A 95 -18.780 -3.975 1.504 1.00 72.33 H new ATOM 0 HG13 VAL A 95 -19.463 -2.432 0.939 1.00 72.33 H new ATOM 0 HG21 VAL A 95 -22.267 -2.980 2.123 1.00 65.43 H new ATOM 0 HG22 VAL A 95 -22.018 -2.335 0.483 1.00 65.43 H new ATOM 0 HG23 VAL A 95 -22.960 -3.826 0.719 1.00 65.43 H new ATOM 1414 N ALA A 96 -22.483 -4.773 -1.978 1.00 44.34 N ATOM 1415 CA ALA A 96 -23.532 -5.527 -2.673 1.00 11.21 C ATOM 1416 C ALA A 96 -22.898 -6.558 -3.626 1.00 14.43 C ATOM 1417 O ALA A 96 -23.569 -7.427 -4.172 1.00 1.42 O ATOM 1418 CB ALA A 96 -24.438 -4.580 -3.450 1.00 11.52 C ATOM 0 H ALA A 96 -22.429 -3.790 -2.243 1.00 44.34 H new ATOM 0 HA ALA A 96 -24.134 -6.054 -1.933 1.00 11.21 H new ATOM 0 HB1 ALA A 96 -25.212 -5.154 -3.961 1.00 11.52 H new ATOM 0 HB2 ALA A 96 -24.904 -3.875 -2.761 1.00 11.52 H new ATOM 0 HB3 ALA A 96 -23.848 -4.033 -4.185 1.00 11.52 H new ATOM 1424 N MET A 97 -21.597 -6.440 -3.809 1.00 23.01 N ATOM 1425 CA MET A 97 -20.848 -7.350 -4.645 1.00 73.55 C ATOM 1426 C MET A 97 -20.084 -8.342 -3.790 1.00 33.22 C ATOM 1427 O MET A 97 -19.222 -9.036 -4.296 1.00 24.04 O ATOM 1428 CB MET A 97 -19.842 -6.623 -5.557 1.00 2.32 C ATOM 1429 CG MET A 97 -20.420 -5.567 -6.477 1.00 24.44 C ATOM 1430 SD MET A 97 -19.260 -5.079 -7.783 1.00 35.04 S ATOM 1431 CE MET A 97 -17.754 -4.717 -6.882 1.00 45.42 C ATOM 0 H MET A 97 -21.031 -5.708 -3.380 1.00 23.01 H new ATOM 0 HA MET A 97 -21.577 -7.861 -5.273 1.00 73.55 H new ATOM 0 HB2 MET A 97 -19.086 -6.154 -4.928 1.00 2.32 H new ATOM 0 HB3 MET A 97 -19.331 -7.368 -6.167 1.00 2.32 H new ATOM 0 HG2 MET A 97 -21.336 -5.946 -6.931 1.00 24.44 H new ATOM 0 HG3 MET A 97 -20.694 -4.689 -5.892 1.00 24.44 H new ATOM 0 HE1 MET A 97 -17.036 -4.242 -7.550 1.00 45.42 H new ATOM 0 HE2 MET A 97 -17.978 -4.045 -6.053 1.00 45.42 H new ATOM 0 HE3 MET A 97 -17.331 -5.643 -6.494 1.00 45.42 H new ATOM 1441 N ASP A 98 -20.382 -8.390 -2.479 1.00 13.42 N ATOM 1442 CA ASP A 98 -19.703 -9.326 -1.555 1.00 45.01 C ATOM 1443 C ASP A 98 -19.620 -10.743 -2.115 1.00 63.11 C ATOM 1444 O ASP A 98 -18.572 -11.362 -2.048 1.00 51.50 O ATOM 1445 CB ASP A 98 -20.329 -9.337 -0.143 1.00 20.03 C ATOM 1446 CG ASP A 98 -21.705 -9.961 -0.078 1.00 11.40 C ATOM 1447 OD1 ASP A 98 -22.676 -9.342 -0.531 1.00 3.10 O ATOM 1448 OD2 ASP A 98 -21.833 -11.100 0.428 1.00 53.44 O ATOM 0 H ASP A 98 -21.083 -7.797 -2.035 1.00 13.42 H new ATOM 0 HA ASP A 98 -18.686 -8.945 -1.458 1.00 45.01 H new ATOM 0 HB2 ASP A 98 -19.665 -9.878 0.532 1.00 20.03 H new ATOM 0 HB3 ASP A 98 -20.390 -8.312 0.223 1.00 20.03 H new ATOM 1453 N GLU A 99 -20.705 -11.273 -2.643 1.00 45.12 N ATOM 1454 CA GLU A 99 -20.665 -12.558 -3.285 1.00 10.21 C ATOM 1455 C GLU A 99 -20.485 -12.370 -4.794 1.00 2.40 C ATOM 1456 O GLU A 99 -21.451 -12.151 -5.513 1.00 74.55 O ATOM 1457 CB GLU A 99 -21.977 -13.311 -3.008 1.00 71.31 C ATOM 1458 CG GLU A 99 -22.018 -14.746 -3.497 1.00 55.20 C ATOM 1459 CD GLU A 99 -21.110 -15.656 -2.712 1.00 31.34 C ATOM 1460 OE1 GLU A 99 -19.890 -15.682 -2.982 1.00 62.21 O ATOM 1461 OE2 GLU A 99 -21.609 -16.375 -1.825 1.00 11.03 O ATOM 0 H GLU A 99 -21.623 -10.828 -2.637 1.00 45.12 H new ATOM 0 HA GLU A 99 -19.828 -13.136 -2.892 1.00 10.21 H new ATOM 0 HB2 GLU A 99 -22.159 -13.306 -1.933 1.00 71.31 H new ATOM 0 HB3 GLU A 99 -22.796 -12.763 -3.473 1.00 71.31 H new ATOM 0 HG2 GLU A 99 -23.041 -15.118 -3.433 1.00 55.20 H new ATOM 0 HG3 GLU A 99 -21.733 -14.775 -4.549 1.00 55.20 H new ATOM 1468 N THR A 100 -19.253 -12.396 -5.244 1.00 5.13 N ATOM 1469 CA THR A 100 -18.931 -12.280 -6.666 1.00 53.12 C ATOM 1470 C THR A 100 -17.672 -13.055 -6.998 1.00 72.15 C ATOM 1471 O THR A 100 -16.867 -13.364 -6.111 1.00 30.53 O ATOM 1472 CB THR A 100 -18.749 -10.807 -7.126 1.00 44.15 C ATOM 1473 OG1 THR A 100 -17.870 -10.108 -6.240 1.00 13.33 O ATOM 1474 CG2 THR A 100 -20.077 -10.061 -7.268 1.00 70.35 C ATOM 0 H THR A 100 -18.436 -12.498 -4.641 1.00 5.13 H new ATOM 0 HA THR A 100 -19.783 -12.698 -7.201 1.00 53.12 H new ATOM 0 HB THR A 100 -18.301 -10.841 -8.119 1.00 44.15 H new ATOM 0 HG1 THR A 100 -18.337 -9.914 -5.401 1.00 13.33 H new ATOM 0 HG21 THR A 100 -19.887 -9.038 -7.592 1.00 70.35 H new ATOM 0 HG22 THR A 100 -20.700 -10.565 -8.006 1.00 70.35 H new ATOM 0 HG23 THR A 100 -20.592 -10.048 -6.307 1.00 70.35 H new ATOM 1482 N VAL A 101 -17.496 -13.372 -8.259 1.00 32.45 N ATOM 1483 CA VAL A 101 -16.319 -14.068 -8.692 1.00 2.10 C ATOM 1484 C VAL A 101 -15.430 -13.105 -9.469 1.00 2.45 C ATOM 1485 O VAL A 101 -15.874 -12.434 -10.410 1.00 1.22 O ATOM 1486 CB VAL A 101 -16.654 -15.352 -9.519 1.00 42.11 C ATOM 1487 CG1 VAL A 101 -17.441 -15.023 -10.770 1.00 75.03 C ATOM 1488 CG2 VAL A 101 -15.395 -16.130 -9.859 1.00 62.01 C ATOM 0 H VAL A 101 -18.160 -13.155 -9.003 1.00 32.45 H new ATOM 0 HA VAL A 101 -15.780 -14.421 -7.813 1.00 2.10 H new ATOM 0 HB VAL A 101 -17.283 -15.984 -8.893 1.00 42.11 H new ATOM 0 HG11 VAL A 101 -17.654 -15.941 -11.318 1.00 75.03 H new ATOM 0 HG12 VAL A 101 -18.378 -14.539 -10.494 1.00 75.03 H new ATOM 0 HG13 VAL A 101 -16.858 -14.352 -11.401 1.00 75.03 H new ATOM 0 HG21 VAL A 101 -15.660 -17.017 -10.434 1.00 62.01 H new ATOM 0 HG22 VAL A 101 -14.727 -15.502 -10.448 1.00 62.01 H new ATOM 0 HG23 VAL A 101 -14.893 -16.430 -8.939 1.00 62.01 H new ATOM 1498 N PHE A 102 -14.215 -13.007 -9.060 1.00 33.10 N ATOM 1499 CA PHE A 102 -13.292 -12.096 -9.644 1.00 33.32 C ATOM 1500 C PHE A 102 -11.995 -12.827 -9.898 1.00 13.54 C ATOM 1501 O PHE A 102 -11.381 -13.355 -8.969 1.00 63.20 O ATOM 1502 CB PHE A 102 -13.098 -10.927 -8.683 1.00 45.31 C ATOM 1503 CG PHE A 102 -12.258 -9.798 -9.184 1.00 75.11 C ATOM 1504 CD1 PHE A 102 -12.799 -8.841 -10.026 1.00 73.24 C ATOM 1505 CD2 PHE A 102 -10.937 -9.678 -8.803 1.00 41.52 C ATOM 1506 CE1 PHE A 102 -12.036 -7.791 -10.478 1.00 22.14 C ATOM 1507 CE2 PHE A 102 -10.172 -8.629 -9.249 1.00 15.41 C ATOM 1508 CZ PHE A 102 -10.721 -7.684 -10.087 1.00 22.45 C ATOM 0 H PHE A 102 -13.827 -13.565 -8.299 1.00 33.10 H new ATOM 0 HA PHE A 102 -13.659 -11.706 -10.593 1.00 33.32 H new ATOM 0 HB2 PHE A 102 -14.080 -10.534 -8.419 1.00 45.31 H new ATOM 0 HB3 PHE A 102 -12.649 -11.308 -7.765 1.00 45.31 H new ATOM 0 HD1 PHE A 102 -13.832 -8.921 -10.331 1.00 73.24 H new ATOM 0 HD2 PHE A 102 -10.501 -10.417 -8.147 1.00 41.52 H new ATOM 0 HE1 PHE A 102 -12.467 -7.052 -11.138 1.00 22.14 H new ATOM 0 HE2 PHE A 102 -9.140 -8.545 -8.943 1.00 15.41 H new ATOM 0 HZ PHE A 102 -10.119 -6.859 -10.437 1.00 22.45 H new ATOM 1518 N ARG A 103 -11.605 -12.878 -11.156 1.00 70.31 N ATOM 1519 CA ARG A 103 -10.410 -13.571 -11.600 1.00 32.42 C ATOM 1520 C ARG A 103 -10.394 -15.051 -11.168 1.00 53.54 C ATOM 1521 O ARG A 103 -9.498 -15.514 -10.465 1.00 34.23 O ATOM 1522 CB ARG A 103 -9.123 -12.796 -11.247 1.00 62.21 C ATOM 1523 CG ARG A 103 -7.856 -13.360 -11.874 1.00 65.45 C ATOM 1524 CD ARG A 103 -6.686 -12.411 -11.695 1.00 70.21 C ATOM 1525 NE ARG A 103 -6.995 -11.093 -12.257 1.00 44.40 N ATOM 1526 CZ ARG A 103 -6.638 -10.673 -13.474 1.00 51.24 C ATOM 1527 NH1 ARG A 103 -5.845 -11.413 -14.245 1.00 75.43 N ATOM 1528 NH2 ARG A 103 -7.050 -9.496 -13.910 1.00 75.41 N ATOM 0 H ARG A 103 -12.120 -12.430 -11.914 1.00 70.31 H new ATOM 0 HA ARG A 103 -10.438 -13.598 -12.689 1.00 32.42 H new ATOM 0 HB2 ARG A 103 -9.240 -11.759 -11.563 1.00 62.21 H new ATOM 0 HB3 ARG A 103 -9.005 -12.787 -10.163 1.00 62.21 H new ATOM 0 HG2 ARG A 103 -7.620 -14.322 -11.420 1.00 65.45 H new ATOM 0 HG3 ARG A 103 -8.022 -13.541 -12.936 1.00 65.45 H new ATOM 0 HD2 ARG A 103 -6.450 -12.313 -10.635 1.00 70.21 H new ATOM 0 HD3 ARG A 103 -5.801 -12.821 -12.182 1.00 70.21 H new ATOM 0 HE ARG A 103 -7.524 -10.446 -11.673 1.00 44.40 H new ATOM 0 HH11 ARG A 103 -5.502 -12.313 -13.909 1.00 75.43 H new ATOM 0 HH12 ARG A 103 -5.580 -11.080 -15.172 1.00 75.43 H new ATOM 0 HH21 ARG A 103 -7.639 -8.910 -13.318 1.00 75.41 H new ATOM 0 HH22 ARG A 103 -6.779 -9.173 -14.839 1.00 75.41 H new ATOM 1542 N GLY A 104 -11.462 -15.740 -11.530 1.00 64.54 N ATOM 1543 CA GLY A 104 -11.595 -17.174 -11.285 1.00 53.25 C ATOM 1544 C GLY A 104 -11.901 -17.577 -9.851 1.00 61.33 C ATOM 1545 O GLY A 104 -12.195 -18.745 -9.589 1.00 65.53 O ATOM 0 H GLY A 104 -12.265 -15.325 -12.003 1.00 64.54 H new ATOM 0 HA2 GLY A 104 -12.386 -17.561 -11.927 1.00 53.25 H new ATOM 0 HA3 GLY A 104 -10.669 -17.662 -11.590 1.00 53.25 H new ATOM 1549 N ARG A 105 -11.855 -16.655 -8.933 1.00 1.04 N ATOM 1550 CA ARG A 105 -12.101 -16.983 -7.543 1.00 21.33 C ATOM 1551 C ARG A 105 -13.099 -16.034 -6.933 1.00 42.41 C ATOM 1552 O ARG A 105 -13.280 -14.927 -7.417 1.00 60.04 O ATOM 1553 CB ARG A 105 -10.796 -17.038 -6.731 1.00 31.52 C ATOM 1554 CG ARG A 105 -9.947 -15.777 -6.791 1.00 72.15 C ATOM 1555 CD ARG A 105 -8.708 -15.913 -5.913 1.00 55.25 C ATOM 1556 NE ARG A 105 -7.854 -17.048 -6.289 1.00 31.25 N ATOM 1557 CZ ARG A 105 -6.950 -17.624 -5.480 1.00 51.31 C ATOM 1558 NH1 ARG A 105 -6.810 -17.201 -4.221 1.00 2.11 N ATOM 1559 NH2 ARG A 105 -6.207 -18.631 -5.925 1.00 13.23 N ATOM 0 H ARG A 105 -11.651 -15.672 -9.112 1.00 1.04 H new ATOM 0 HA ARG A 105 -12.534 -17.983 -7.511 1.00 21.33 H new ATOM 0 HB2 ARG A 105 -11.043 -17.243 -5.689 1.00 31.52 H new ATOM 0 HB3 ARG A 105 -10.199 -17.877 -7.088 1.00 31.52 H new ATOM 0 HG2 ARG A 105 -9.648 -15.584 -7.821 1.00 72.15 H new ATOM 0 HG3 ARG A 105 -10.537 -14.921 -6.464 1.00 72.15 H new ATOM 0 HD2 ARG A 105 -8.126 -14.993 -5.972 1.00 55.25 H new ATOM 0 HD3 ARG A 105 -9.018 -16.028 -4.874 1.00 55.25 H new ATOM 0 HE ARG A 105 -7.955 -17.425 -7.231 1.00 31.25 H new ATOM 0 HH11 ARG A 105 -7.391 -16.439 -3.872 1.00 2.11 H new ATOM 0 HH12 ARG A 105 -6.123 -17.640 -3.609 1.00 2.11 H new ATOM 0 HH21 ARG A 105 -6.323 -18.967 -6.881 1.00 13.23 H new ATOM 0 HH22 ARG A 105 -5.520 -19.069 -5.311 1.00 13.23 H new ATOM 1573 N THR A 106 -13.751 -16.463 -5.896 1.00 11.20 N ATOM 1574 CA THR A 106 -14.749 -15.649 -5.272 1.00 45.03 C ATOM 1575 C THR A 106 -14.112 -14.691 -4.288 1.00 23.33 C ATOM 1576 O THR A 106 -13.372 -15.105 -3.380 1.00 34.05 O ATOM 1577 CB THR A 106 -15.814 -16.515 -4.570 1.00 62.14 C ATOM 1578 OG1 THR A 106 -16.434 -17.385 -5.539 1.00 35.15 O ATOM 1579 CG2 THR A 106 -16.877 -15.649 -3.928 1.00 64.54 C ATOM 0 H THR A 106 -13.609 -17.375 -5.463 1.00 11.20 H new ATOM 0 HA THR A 106 -15.246 -15.070 -6.050 1.00 45.03 H new ATOM 0 HB THR A 106 -15.326 -17.102 -3.792 1.00 62.14 H new ATOM 0 HG1 THR A 106 -17.111 -17.939 -5.096 1.00 35.15 H new ATOM 0 HG21 THR A 106 -17.617 -16.283 -3.439 1.00 64.54 H new ATOM 0 HG22 THR A 106 -16.415 -14.994 -3.189 1.00 64.54 H new ATOM 0 HG23 THR A 106 -17.365 -15.045 -4.693 1.00 64.54 H new ATOM 1587 N ILE A 107 -14.383 -13.434 -4.459 1.00 60.45 N ATOM 1588 CA ILE A 107 -13.851 -12.440 -3.579 1.00 70.12 C ATOM 1589 C ILE A 107 -14.902 -12.006 -2.599 1.00 45.12 C ATOM 1590 O ILE A 107 -16.063 -12.411 -2.693 1.00 21.23 O ATOM 1591 CB ILE A 107 -13.321 -11.187 -4.332 1.00 1.21 C ATOM 1592 CG1 ILE A 107 -14.453 -10.493 -5.121 1.00 21.23 C ATOM 1593 CG2 ILE A 107 -12.157 -11.569 -5.247 1.00 61.55 C ATOM 1594 CD1 ILE A 107 -14.047 -9.172 -5.754 1.00 31.01 C ATOM 0 H ILE A 107 -14.974 -13.070 -5.206 1.00 60.45 H new ATOM 0 HA ILE A 107 -13.008 -12.901 -3.064 1.00 70.12 H new ATOM 0 HB ILE A 107 -12.953 -10.473 -3.596 1.00 1.21 H new ATOM 0 HG12 ILE A 107 -14.802 -11.167 -5.904 1.00 21.23 H new ATOM 0 HG13 ILE A 107 -15.295 -10.319 -4.451 1.00 21.23 H new ATOM 0 HG21 ILE A 107 -11.797 -10.682 -5.767 1.00 61.55 H new ATOM 0 HG22 ILE A 107 -11.349 -11.993 -4.650 1.00 61.55 H new ATOM 0 HG23 ILE A 107 -12.494 -12.305 -5.976 1.00 61.55 H new ATOM 0 HD11 ILE A 107 -14.897 -8.749 -6.289 1.00 31.01 H new ATOM 0 HD12 ILE A 107 -13.726 -8.479 -4.976 1.00 31.01 H new ATOM 0 HD13 ILE A 107 -13.226 -9.340 -6.451 1.00 31.01 H new ATOM 1606 N LYS A 108 -14.486 -11.228 -1.655 1.00 3.23 N ATOM 1607 CA LYS A 108 -15.335 -10.732 -0.608 1.00 71.45 C ATOM 1608 C LYS A 108 -15.170 -9.269 -0.478 1.00 25.12 C ATOM 1609 O LYS A 108 -14.048 -8.778 -0.474 1.00 21.20 O ATOM 1610 CB LYS A 108 -15.003 -11.395 0.737 1.00 14.24 C ATOM 1611 CG LYS A 108 -15.832 -12.585 1.083 1.00 63.12 C ATOM 1612 CD LYS A 108 -17.307 -12.223 1.225 1.00 11.44 C ATOM 1613 CE LYS A 108 -17.668 -11.722 2.610 1.00 74.54 C ATOM 1614 NZ LYS A 108 -17.484 -12.780 3.637 1.00 12.42 N ATOM 0 H LYS A 108 -13.520 -10.907 -1.583 1.00 3.23 H new ATOM 0 HA LYS A 108 -16.365 -10.971 -0.871 1.00 71.45 H new ATOM 0 HB2 LYS A 108 -13.955 -11.694 0.727 1.00 14.24 H new ATOM 0 HB3 LYS A 108 -15.115 -10.652 1.527 1.00 14.24 H new ATOM 0 HG2 LYS A 108 -15.717 -13.346 0.311 1.00 63.12 H new ATOM 0 HG3 LYS A 108 -15.473 -13.020 2.016 1.00 63.12 H new ATOM 0 HD2 LYS A 108 -17.559 -11.457 0.491 1.00 11.44 H new ATOM 0 HD3 LYS A 108 -17.913 -13.098 0.993 1.00 11.44 H new ATOM 0 HE2 LYS A 108 -17.049 -10.860 2.859 1.00 74.54 H new ATOM 0 HE3 LYS A 108 -18.704 -11.383 2.617 1.00 74.54 H new ATOM 0 HZ1 LYS A 108 -18.065 -12.559 4.471 1.00 12.42 H new ATOM 0 HZ2 LYS A 108 -17.776 -13.698 3.245 1.00 12.42 H new ATOM 0 HZ3 LYS A 108 -16.483 -12.824 3.914 1.00 12.42 H new ATOM 1628 N VAL A 109 -16.263 -8.575 -0.373 1.00 52.04 N ATOM 1629 CA VAL A 109 -16.231 -7.155 -0.199 1.00 31.14 C ATOM 1630 C VAL A 109 -17.024 -6.817 1.056 1.00 4.22 C ATOM 1631 O VAL A 109 -18.171 -7.234 1.198 1.00 42.12 O ATOM 1632 CB VAL A 109 -16.838 -6.401 -1.415 1.00 53.21 C ATOM 1633 CG1 VAL A 109 -16.644 -4.900 -1.262 1.00 12.22 C ATOM 1634 CG2 VAL A 109 -16.238 -6.888 -2.730 1.00 3.52 C ATOM 0 H VAL A 109 -17.200 -8.976 -0.405 1.00 52.04 H new ATOM 0 HA VAL A 109 -15.192 -6.838 -0.110 1.00 31.14 H new ATOM 0 HB VAL A 109 -17.907 -6.615 -1.439 1.00 53.21 H new ATOM 0 HG11 VAL A 109 -17.075 -4.388 -2.122 1.00 12.22 H new ATOM 0 HG12 VAL A 109 -17.139 -4.560 -0.352 1.00 12.22 H new ATOM 0 HG13 VAL A 109 -15.579 -4.675 -1.202 1.00 12.22 H new ATOM 0 HG21 VAL A 109 -16.685 -6.340 -3.559 1.00 3.52 H new ATOM 0 HG22 VAL A 109 -15.161 -6.720 -2.723 1.00 3.52 H new ATOM 0 HG23 VAL A 109 -16.439 -7.953 -2.849 1.00 3.52 H new ATOM 1644 N LEU A 110 -16.412 -6.102 1.961 1.00 64.44 N ATOM 1645 CA LEU A 110 -17.031 -5.716 3.217 1.00 15.14 C ATOM 1646 C LEU A 110 -16.743 -4.262 3.467 1.00 63.42 C ATOM 1647 O LEU A 110 -15.850 -3.717 2.850 1.00 30.43 O ATOM 1648 CB LEU A 110 -16.422 -6.524 4.383 1.00 22.41 C ATOM 1649 CG LEU A 110 -16.719 -8.001 4.426 1.00 22.15 C ATOM 1650 CD1 LEU A 110 -15.887 -8.662 5.531 1.00 30.22 C ATOM 1651 CD2 LEU A 110 -18.205 -8.194 4.688 1.00 3.41 C ATOM 0 H LEU A 110 -15.456 -5.763 1.853 1.00 64.44 H new ATOM 0 HA LEU A 110 -18.103 -5.905 3.157 1.00 15.14 H new ATOM 0 HB2 LEU A 110 -15.340 -6.398 4.353 1.00 22.41 H new ATOM 0 HB3 LEU A 110 -16.768 -6.082 5.317 1.00 22.41 H new ATOM 0 HG LEU A 110 -16.458 -8.465 3.475 1.00 22.15 H new ATOM 0 HD11 LEU A 110 -16.104 -9.730 5.560 1.00 30.22 H new ATOM 0 HD12 LEU A 110 -14.827 -8.512 5.327 1.00 30.22 H new ATOM 0 HD13 LEU A 110 -16.138 -8.215 6.493 1.00 30.22 H new ATOM 0 HD21 LEU A 110 -18.433 -9.259 4.721 1.00 3.41 H new ATOM 0 HD22 LEU A 110 -18.469 -7.736 5.641 1.00 3.41 H new ATOM 0 HD23 LEU A 110 -18.779 -7.725 3.889 1.00 3.41 H new ATOM 1663 N PRO A 111 -17.496 -3.602 4.341 1.00 43.21 N ATOM 1664 CA PRO A 111 -17.160 -2.268 4.766 1.00 32.32 C ATOM 1665 C PRO A 111 -16.002 -2.365 5.741 1.00 12.12 C ATOM 1666 O PRO A 111 -15.952 -3.290 6.558 1.00 11.23 O ATOM 1667 CB PRO A 111 -18.424 -1.774 5.505 1.00 43.11 C ATOM 1668 CG PRO A 111 -19.456 -2.845 5.311 1.00 35.42 C ATOM 1669 CD PRO A 111 -18.721 -4.089 4.976 1.00 60.05 C ATOM 0 HA PRO A 111 -16.875 -1.605 3.949 1.00 32.32 H new ATOM 0 HB2 PRO A 111 -18.220 -1.614 6.564 1.00 43.11 H new ATOM 0 HB3 PRO A 111 -18.767 -0.822 5.099 1.00 43.11 H new ATOM 0 HG2 PRO A 111 -20.050 -2.978 6.215 1.00 35.42 H new ATOM 0 HG3 PRO A 111 -20.147 -2.577 4.512 1.00 35.42 H new ATOM 0 HD2 PRO A 111 -18.504 -4.679 5.866 1.00 60.05 H new ATOM 0 HD3 PRO A 111 -19.296 -4.726 4.304 1.00 60.05 H new ATOM 1677 N LYS A 112 -15.070 -1.460 5.662 1.00 33.25 N ATOM 1678 CA LYS A 112 -13.968 -1.492 6.570 1.00 63.04 C ATOM 1679 C LYS A 112 -14.423 -1.148 7.991 1.00 45.54 C ATOM 1680 O LYS A 112 -13.850 -1.618 8.975 1.00 65.34 O ATOM 1681 CB LYS A 112 -12.875 -0.604 6.088 1.00 44.51 C ATOM 1682 CG LYS A 112 -11.689 -0.651 6.981 1.00 12.10 C ATOM 1683 CD LYS A 112 -10.547 0.073 6.409 1.00 72.12 C ATOM 1684 CE LYS A 112 -9.372 -0.033 7.318 1.00 72.23 C ATOM 1685 NZ LYS A 112 -9.603 0.621 8.626 1.00 25.21 N ATOM 0 H LYS A 112 -15.053 -0.698 4.984 1.00 33.25 H new ATOM 0 HA LYS A 112 -13.567 -2.505 6.608 1.00 63.04 H new ATOM 0 HB2 LYS A 112 -12.583 -0.901 5.081 1.00 44.51 H new ATOM 0 HB3 LYS A 112 -13.241 0.421 6.024 1.00 44.51 H new ATOM 0 HG2 LYS A 112 -11.945 -0.220 7.949 1.00 12.10 H new ATOM 0 HG3 LYS A 112 -11.409 -1.689 7.159 1.00 12.10 H new ATOM 0 HD2 LYS A 112 -10.299 -0.337 5.430 1.00 72.12 H new ATOM 0 HD3 LYS A 112 -10.808 1.121 6.259 1.00 72.12 H new ATOM 0 HE2 LYS A 112 -9.135 -1.085 7.479 1.00 72.23 H new ATOM 0 HE3 LYS A 112 -8.504 0.419 6.838 1.00 72.23 H new ATOM 0 HZ1 LYS A 112 -8.693 0.760 9.110 1.00 25.21 H new ATOM 0 HZ2 LYS A 112 -10.061 1.543 8.477 1.00 25.21 H new ATOM 0 HZ3 LYS A 112 -10.218 0.020 9.211 1.00 25.21 H new ATOM 2166 N GLY B 21 -8.101 -5.938 9.042 1.00 2.50 N ATOM 2167 CA GLY B 21 -9.462 -6.254 8.632 1.00 5.31 C ATOM 2168 C GLY B 21 -10.015 -7.374 9.490 1.00 41.33 C ATOM 2169 O GLY B 21 -9.624 -7.508 10.654 1.00 34.51 O ATOM 0 HA2 GLY B 21 -10.093 -5.370 8.723 1.00 5.31 H new ATOM 0 HA3 GLY B 21 -9.475 -6.548 7.583 1.00 5.31 H new ATOM 2173 N PRO B 22 -10.926 -8.188 8.948 1.00 53.13 N ATOM 2174 CA PRO B 22 -11.509 -9.345 9.659 1.00 42.10 C ATOM 2175 C PRO B 22 -10.471 -10.387 10.252 1.00 20.21 C ATOM 2176 O PRO B 22 -10.717 -10.898 11.354 1.00 73.23 O ATOM 2177 CB PRO B 22 -12.414 -10.002 8.604 1.00 1.22 C ATOM 2178 CG PRO B 22 -12.729 -8.901 7.646 1.00 3.41 C ATOM 2179 CD PRO B 22 -11.507 -8.033 7.595 1.00 72.44 C ATOM 0 HA PRO B 22 -12.029 -9.005 10.555 1.00 42.10 H new ATOM 0 HB2 PRO B 22 -11.908 -10.829 8.106 1.00 1.22 H new ATOM 0 HB3 PRO B 22 -13.320 -10.408 9.055 1.00 1.22 H new ATOM 0 HG2 PRO B 22 -12.966 -9.299 6.659 1.00 3.41 H new ATOM 0 HG3 PRO B 22 -13.598 -8.332 7.978 1.00 3.41 H new ATOM 0 HD2 PRO B 22 -10.814 -8.358 6.819 1.00 72.44 H new ATOM 0 HD3 PRO B 22 -11.759 -6.994 7.382 1.00 72.44 H new ATOM 2187 N PRO B 23 -9.323 -10.745 9.513 1.00 30.42 N ATOM 2188 CA PRO B 23 -8.278 -11.687 9.977 1.00 74.05 C ATOM 2189 C PRO B 23 -8.051 -11.744 11.513 1.00 64.04 C ATOM 2190 O PRO B 23 -7.790 -10.718 12.162 1.00 20.52 O ATOM 2191 CB PRO B 23 -7.014 -11.173 9.265 1.00 51.35 C ATOM 2192 CG PRO B 23 -7.483 -10.221 8.204 1.00 42.32 C ATOM 2193 CD PRO B 23 -8.979 -10.305 8.162 1.00 51.11 C ATOM 0 HA PRO B 23 -8.566 -12.712 9.743 1.00 74.05 H new ATOM 0 HB2 PRO B 23 -6.348 -10.673 9.968 1.00 51.35 H new ATOM 0 HB3 PRO B 23 -6.453 -11.998 8.826 1.00 51.35 H new ATOM 0 HG2 PRO B 23 -7.161 -9.204 8.430 1.00 42.32 H new ATOM 0 HG3 PRO B 23 -7.056 -10.483 7.236 1.00 42.32 H new ATOM 0 HD2 PRO B 23 -9.431 -9.342 7.924 1.00 51.11 H new ATOM 0 HD3 PRO B 23 -9.322 -11.013 7.408 1.00 51.11 H new ATOM 2201 N GLN B 24 -8.129 -12.958 12.060 1.00 54.01 N ATOM 2202 CA GLN B 24 -7.988 -13.227 13.506 1.00 13.54 C ATOM 2203 C GLN B 24 -6.612 -12.816 14.060 1.00 54.42 C ATOM 2204 O GLN B 24 -5.608 -13.005 13.404 1.00 13.33 O ATOM 2205 CB GLN B 24 -8.258 -14.708 13.795 1.00 33.41 C ATOM 2206 CG GLN B 24 -9.700 -15.127 13.547 1.00 40.15 C ATOM 2207 CD GLN B 24 -10.691 -14.459 14.492 1.00 2.15 C ATOM 2208 OE1 GLN B 24 -10.291 -14.238 15.728 1.00 2.23 O flip ATOM 2209 NE2 GLN B 24 -11.840 -14.203 14.128 1.00 74.05 N flip ATOM 0 H GLN B 24 -8.294 -13.800 11.509 1.00 54.01 H new ATOM 0 HA GLN B 24 -8.728 -12.612 14.018 1.00 13.54 H new ATOM 0 HB2 GLN B 24 -7.600 -15.316 13.174 1.00 33.41 H new ATOM 0 HB3 GLN B 24 -8.001 -14.919 14.833 1.00 33.41 H new ATOM 0 HG2 GLN B 24 -9.970 -14.886 12.519 1.00 40.15 H new ATOM 0 HG3 GLN B 24 -9.780 -16.209 13.652 1.00 40.15 H new ATOM 0 HE21 GLN B 24 -12.122 -14.384 13.165 1.00 74.05 H new ATOM 0 HE22 GLN B 24 -12.509 -13.810 14.790 1.00 74.05 H new ATOM 2218 N PRO B 25 -6.586 -12.247 15.288 1.00 34.41 N ATOM 2219 CA PRO B 25 -5.370 -11.738 15.964 1.00 62.13 C ATOM 2220 C PRO B 25 -4.076 -12.583 15.846 1.00 0.11 C ATOM 2221 O PRO B 25 -4.083 -13.825 15.758 1.00 45.24 O ATOM 2222 CB PRO B 25 -5.807 -11.644 17.417 1.00 62.22 C ATOM 2223 CG PRO B 25 -7.235 -11.272 17.328 1.00 22.21 C ATOM 2224 CD PRO B 25 -7.780 -12.024 16.141 1.00 11.30 C ATOM 0 HA PRO B 25 -5.062 -10.807 15.487 1.00 62.13 H new ATOM 0 HB2 PRO B 25 -5.671 -12.592 17.938 1.00 62.22 H new ATOM 0 HB3 PRO B 25 -5.231 -10.896 17.961 1.00 62.22 H new ATOM 0 HG2 PRO B 25 -7.767 -11.542 18.240 1.00 22.21 H new ATOM 0 HG3 PRO B 25 -7.352 -10.196 17.197 1.00 22.21 H new ATOM 0 HD2 PRO B 25 -8.240 -12.966 16.440 1.00 11.30 H new ATOM 0 HD3 PRO B 25 -8.544 -11.448 15.618 1.00 11.30 H new ATOM 2232 N LEU B 26 -2.991 -11.859 15.877 1.00 32.15 N ATOM 2233 CA LEU B 26 -1.638 -12.368 15.837 1.00 73.44 C ATOM 2234 C LEU B 26 -0.889 -11.615 16.917 1.00 51.20 C ATOM 2235 O LEU B 26 -1.402 -10.589 17.383 1.00 4.15 O ATOM 2236 CB LEU B 26 -0.994 -12.237 14.394 1.00 63.12 C ATOM 2237 CG LEU B 26 -0.731 -10.833 13.758 1.00 21.10 C ATOM 2238 CD1 LEU B 26 -1.906 -9.897 13.804 1.00 53.04 C ATOM 2239 CD2 LEU B 26 0.507 -10.195 14.288 1.00 24.22 C ATOM 0 H LEU B 26 -3.024 -10.841 15.934 1.00 32.15 H new ATOM 0 HA LEU B 26 -1.598 -13.440 16.032 1.00 73.44 H new ATOM 0 HB2 LEU B 26 -0.038 -12.760 14.422 1.00 63.12 H new ATOM 0 HB3 LEU B 26 -1.637 -12.785 13.705 1.00 63.12 H new ATOM 0 HG LEU B 26 -0.572 -11.037 12.699 1.00 21.10 H new ATOM 0 HD11 LEU B 26 -1.634 -8.948 13.341 1.00 53.04 H new ATOM 0 HD12 LEU B 26 -2.743 -10.337 13.263 1.00 53.04 H new ATOM 0 HD13 LEU B 26 -2.194 -9.725 14.841 1.00 53.04 H new ATOM 0 HD21 LEU B 26 0.646 -9.222 13.816 1.00 24.22 H new ATOM 0 HD22 LEU B 26 0.416 -10.065 15.366 1.00 24.22 H new ATOM 0 HD23 LEU B 26 1.366 -10.830 14.070 1.00 24.22 H new ATOM 2251 N SER B 27 0.270 -12.058 17.329 1.00 43.31 N ATOM 2252 CA SER B 27 0.876 -11.423 18.469 1.00 5.20 C ATOM 2253 C SER B 27 1.487 -10.074 18.129 1.00 23.14 C ATOM 2254 O SER B 27 1.996 -9.849 17.020 1.00 22.30 O ATOM 2255 CB SER B 27 1.906 -12.337 19.147 1.00 53.04 C ATOM 2256 OG SER B 27 2.491 -11.708 20.282 1.00 4.41 O ATOM 0 H SER B 27 0.796 -12.826 16.912 1.00 43.31 H new ATOM 0 HA SER B 27 0.070 -11.239 19.179 1.00 5.20 H new ATOM 0 HB2 SER B 27 1.425 -13.266 19.452 1.00 53.04 H new ATOM 0 HB3 SER B 27 2.686 -12.601 18.433 1.00 53.04 H new ATOM 0 HG SER B 27 3.141 -12.315 20.693 1.00 4.41 H new ATOM 2262 N ALA B 28 1.384 -9.180 19.092 1.00 44.35 N ATOM 2263 CA ALA B 28 2.002 -7.872 19.056 1.00 30.23 C ATOM 2264 C ALA B 28 3.477 -7.956 18.656 1.00 11.21 C ATOM 2265 O ALA B 28 3.990 -7.074 17.973 1.00 53.52 O ATOM 2266 CB ALA B 28 1.857 -7.190 20.402 1.00 33.20 C ATOM 0 H ALA B 28 0.852 -9.350 19.946 1.00 44.35 H new ATOM 0 HA ALA B 28 1.489 -7.280 18.298 1.00 30.23 H new ATOM 0 HB1 ALA B 28 2.325 -6.207 20.364 1.00 33.20 H new ATOM 0 HB2 ALA B 28 0.799 -7.079 20.642 1.00 33.20 H new ATOM 0 HB3 ALA B 28 2.342 -7.793 21.170 1.00 33.20 H new ATOM 2272 N GLU B 29 4.144 -9.030 19.037 1.00 64.52 N ATOM 2273 CA GLU B 29 5.539 -9.183 18.707 1.00 64.04 C ATOM 2274 C GLU B 29 5.772 -9.461 17.235 1.00 31.13 C ATOM 2275 O GLU B 29 6.768 -8.972 16.668 1.00 31.10 O ATOM 2276 CB GLU B 29 6.243 -10.158 19.614 1.00 13.54 C ATOM 2277 CG GLU B 29 6.234 -9.682 21.040 1.00 3.41 C ATOM 2278 CD GLU B 29 7.075 -10.530 21.951 1.00 62.12 C ATOM 2279 OE1 GLU B 29 8.287 -10.354 21.980 1.00 61.23 O ATOM 2280 OE2 GLU B 29 6.531 -11.357 22.671 1.00 2.44 O ATOM 0 H GLU B 29 3.742 -9.801 19.571 1.00 64.52 H new ATOM 0 HA GLU B 29 6.002 -8.214 18.894 1.00 64.04 H new ATOM 0 HB2 GLU B 29 5.758 -11.132 19.551 1.00 13.54 H new ATOM 0 HB3 GLU B 29 7.272 -10.292 19.279 1.00 13.54 H new ATOM 0 HG2 GLU B 29 6.594 -8.654 21.076 1.00 3.41 H new ATOM 0 HG3 GLU B 29 5.208 -9.673 21.407 1.00 3.41 H new ATOM 2287 N GLU B 30 4.858 -10.212 16.592 1.00 41.50 N ATOM 2288 CA GLU B 30 4.919 -10.395 15.140 1.00 25.41 C ATOM 2289 C GLU B 30 4.833 -9.064 14.479 1.00 71.12 C ATOM 2290 O GLU B 30 5.535 -8.802 13.512 1.00 54.11 O ATOM 2291 CB GLU B 30 3.790 -11.272 14.562 1.00 32.32 C ATOM 2292 CG GLU B 30 3.856 -12.745 14.844 1.00 12.14 C ATOM 2293 CD GLU B 30 3.510 -13.123 16.245 1.00 52.02 C ATOM 2294 OE1 GLU B 30 4.325 -12.939 17.134 1.00 50.34 O ATOM 2295 OE2 GLU B 30 2.400 -13.635 16.459 1.00 43.05 O ATOM 0 H GLU B 30 4.083 -10.692 17.050 1.00 41.50 H new ATOM 0 HA GLU B 30 5.862 -10.906 14.944 1.00 25.41 H new ATOM 0 HB2 GLU B 30 2.841 -10.897 14.944 1.00 32.32 H new ATOM 0 HB3 GLU B 30 3.775 -11.135 13.481 1.00 32.32 H new ATOM 0 HG2 GLU B 30 3.180 -13.263 14.164 1.00 12.14 H new ATOM 0 HG3 GLU B 30 4.863 -13.099 14.624 1.00 12.14 H new ATOM 2302 N LYS B 31 4.003 -8.193 15.053 1.00 62.34 N ATOM 2303 CA LYS B 31 3.796 -6.886 14.506 1.00 11.53 C ATOM 2304 C LYS B 31 5.054 -6.086 14.528 1.00 33.50 C ATOM 2305 O LYS B 31 5.357 -5.420 13.566 1.00 61.01 O ATOM 2306 CB LYS B 31 2.662 -6.139 15.180 1.00 74.13 C ATOM 2307 CG LYS B 31 1.300 -6.670 14.832 1.00 74.43 C ATOM 2308 CD LYS B 31 0.224 -5.886 15.529 1.00 54.52 C ATOM 2309 CE LYS B 31 -1.148 -6.273 15.039 1.00 44.25 C ATOM 2310 NZ LYS B 31 -1.329 -5.944 13.606 1.00 14.10 N ATOM 0 H LYS B 31 3.469 -8.386 15.900 1.00 62.34 H new ATOM 0 HA LYS B 31 3.499 -7.030 13.467 1.00 11.53 H new ATOM 0 HB2 LYS B 31 2.797 -6.189 16.260 1.00 74.13 H new ATOM 0 HB3 LYS B 31 2.715 -5.087 14.901 1.00 74.13 H new ATOM 0 HG2 LYS B 31 1.151 -6.620 13.753 1.00 74.43 H new ATOM 0 HG3 LYS B 31 1.232 -7.720 15.115 1.00 74.43 H new ATOM 0 HD2 LYS B 31 0.288 -6.054 16.604 1.00 54.52 H new ATOM 0 HD3 LYS B 31 0.383 -4.821 15.363 1.00 54.52 H new ATOM 0 HE2 LYS B 31 -1.300 -7.342 15.189 1.00 44.25 H new ATOM 0 HE3 LYS B 31 -1.905 -5.757 15.630 1.00 44.25 H new ATOM 0 HZ1 LYS B 31 -2.344 -5.882 13.390 1.00 14.10 H new ATOM 0 HZ2 LYS B 31 -0.875 -5.031 13.399 1.00 14.10 H new ATOM 0 HZ3 LYS B 31 -0.895 -6.687 13.022 1.00 14.10 H new ATOM 2324 N LYS B 32 5.814 -6.155 15.623 1.00 20.13 N ATOM 2325 CA LYS B 32 7.082 -5.464 15.662 1.00 51.42 C ATOM 2326 C LYS B 32 8.050 -6.026 14.653 1.00 34.04 C ATOM 2327 O LYS B 32 8.652 -5.281 13.923 1.00 65.52 O ATOM 2328 CB LYS B 32 7.748 -5.412 17.062 1.00 10.30 C ATOM 2329 CG LYS B 32 7.342 -4.257 18.024 1.00 72.32 C ATOM 2330 CD LYS B 32 5.956 -4.352 18.681 1.00 64.31 C ATOM 2331 CE LYS B 32 4.781 -4.219 17.734 1.00 42.32 C ATOM 2332 NZ LYS B 32 4.798 -2.955 16.942 1.00 4.41 N ATOM 0 H LYS B 32 5.573 -6.671 16.469 1.00 20.13 H new ATOM 0 HA LYS B 32 6.838 -4.434 15.403 1.00 51.42 H new ATOM 0 HB2 LYS B 32 7.538 -6.355 17.566 1.00 10.30 H new ATOM 0 HB3 LYS B 32 8.827 -5.361 16.916 1.00 10.30 H new ATOM 0 HG2 LYS B 32 8.089 -4.197 18.816 1.00 72.32 H new ATOM 0 HG3 LYS B 32 7.390 -3.320 17.468 1.00 72.32 H new ATOM 0 HD2 LYS B 32 5.881 -5.310 19.195 1.00 64.31 H new ATOM 0 HD3 LYS B 32 5.878 -3.575 19.442 1.00 64.31 H new ATOM 0 HE2 LYS B 32 4.778 -5.068 17.050 1.00 42.32 H new ATOM 0 HE3 LYS B 32 3.855 -4.268 18.307 1.00 42.32 H new ATOM 0 HZ1 LYS B 32 3.826 -2.604 16.828 1.00 4.41 H new ATOM 0 HZ2 LYS B 32 5.368 -2.241 17.440 1.00 4.41 H new ATOM 0 HZ3 LYS B 32 5.212 -3.137 16.006 1.00 4.41 H new ATOM 2346 N GLU B 33 8.138 -7.340 14.560 1.00 2.51 N ATOM 2347 CA GLU B 33 9.125 -7.963 13.681 1.00 44.15 C ATOM 2348 C GLU B 33 8.842 -7.647 12.217 1.00 41.22 C ATOM 2349 O GLU B 33 9.752 -7.345 11.453 1.00 52.11 O ATOM 2350 CB GLU B 33 9.198 -9.468 13.914 1.00 12.20 C ATOM 2351 CG GLU B 33 9.712 -9.850 15.291 1.00 21.43 C ATOM 2352 CD GLU B 33 11.144 -9.434 15.519 1.00 42.15 C ATOM 2353 OE1 GLU B 33 12.044 -10.162 15.114 1.00 33.04 O ATOM 2354 OE2 GLU B 33 11.387 -8.375 16.127 1.00 5.14 O ATOM 0 H GLU B 33 7.548 -7.995 15.073 1.00 2.51 H new ATOM 0 HA GLU B 33 10.099 -7.540 13.928 1.00 44.15 H new ATOM 0 HB2 GLU B 33 8.205 -9.896 13.775 1.00 12.20 H new ATOM 0 HB3 GLU B 33 9.846 -9.912 13.158 1.00 12.20 H new ATOM 0 HG2 GLU B 33 9.080 -9.389 16.050 1.00 21.43 H new ATOM 0 HG3 GLU B 33 9.628 -10.929 15.418 1.00 21.43 H new ATOM 2361 N ILE B 34 7.581 -7.704 11.842 1.00 61.21 N ATOM 2362 CA ILE B 34 7.186 -7.385 10.483 1.00 62.14 C ATOM 2363 C ILE B 34 7.315 -5.881 10.198 1.00 4.13 C ATOM 2364 O ILE B 34 7.667 -5.482 9.103 1.00 44.44 O ATOM 2365 CB ILE B 34 5.795 -7.962 10.071 1.00 75.43 C ATOM 2366 CG1 ILE B 34 4.674 -7.397 10.963 1.00 21.23 C ATOM 2367 CG2 ILE B 34 5.822 -9.494 10.136 1.00 24.13 C ATOM 2368 CD1 ILE B 34 3.316 -8.046 10.757 1.00 33.41 C ATOM 0 H ILE B 34 6.812 -7.968 12.457 1.00 61.21 H new ATOM 0 HA ILE B 34 7.895 -7.902 9.837 1.00 62.14 H new ATOM 0 HB ILE B 34 5.586 -7.658 9.045 1.00 75.43 H new ATOM 0 HG12 ILE B 34 4.964 -7.515 12.007 1.00 21.23 H new ATOM 0 HG13 ILE B 34 4.583 -6.327 10.776 1.00 21.23 H new ATOM 0 HG21 ILE B 34 4.848 -9.888 9.847 1.00 24.13 H new ATOM 0 HG22 ILE B 34 6.583 -9.874 9.455 1.00 24.13 H new ATOM 0 HG23 ILE B 34 6.054 -9.811 11.153 1.00 24.13 H new ATOM 0 HD11 ILE B 34 2.588 -7.587 11.426 1.00 33.41 H new ATOM 0 HD12 ILE B 34 2.999 -7.906 9.724 1.00 33.41 H new ATOM 0 HD13 ILE B 34 3.386 -9.112 10.974 1.00 33.41 H new ATOM 2380 N ASP B 35 7.044 -5.062 11.215 1.00 34.22 N ATOM 2381 CA ASP B 35 7.151 -3.592 11.114 1.00 54.42 C ATOM 2382 C ASP B 35 8.584 -3.144 10.958 1.00 74.31 C ATOM 2383 O ASP B 35 8.888 -2.246 10.168 1.00 25.32 O ATOM 2384 CB ASP B 35 6.576 -2.935 12.353 1.00 52.14 C ATOM 2385 CG ASP B 35 5.217 -2.360 12.163 1.00 32.44 C ATOM 2386 OD1 ASP B 35 4.665 -2.432 11.040 1.00 35.41 O ATOM 2387 OD2 ASP B 35 4.678 -1.801 13.123 1.00 20.33 O ATOM 0 H ASP B 35 6.744 -5.390 12.133 1.00 34.22 H new ATOM 0 HA ASP B 35 6.589 -3.293 10.230 1.00 54.42 H new ATOM 0 HB2 ASP B 35 6.538 -3.671 13.156 1.00 52.14 H new ATOM 0 HB3 ASP B 35 7.251 -2.143 12.677 1.00 52.14 H new ATOM 2392 N LYS B 36 9.453 -3.781 11.710 1.00 51.03 N ATOM 2393 CA LYS B 36 10.886 -3.499 11.703 1.00 15.43 C ATOM 2394 C LYS B 36 11.503 -3.920 10.387 1.00 64.31 C ATOM 2395 O LYS B 36 12.543 -3.420 9.983 1.00 20.24 O ATOM 2396 CB LYS B 36 11.557 -4.264 12.842 1.00 41.23 C ATOM 2397 CG LYS B 36 11.180 -3.779 14.236 1.00 43.33 C ATOM 2398 CD LYS B 36 11.528 -4.819 15.301 1.00 2.43 C ATOM 2399 CE LYS B 36 12.992 -5.189 15.296 1.00 4.21 C ATOM 2400 NZ LYS B 36 13.295 -6.199 16.327 1.00 74.12 N ATOM 0 H LYS B 36 9.188 -4.523 12.357 1.00 51.03 H new ATOM 0 HA LYS B 36 11.034 -2.427 11.834 1.00 15.43 H new ATOM 0 HB2 LYS B 36 11.299 -5.319 12.756 1.00 41.23 H new ATOM 0 HB3 LYS B 36 12.638 -4.190 12.725 1.00 41.23 H new ATOM 0 HG2 LYS B 36 11.701 -2.846 14.452 1.00 43.33 H new ATOM 0 HG3 LYS B 36 10.112 -3.563 14.271 1.00 43.33 H new ATOM 0 HD2 LYS B 36 11.259 -4.431 16.283 1.00 2.43 H new ATOM 0 HD3 LYS B 36 10.930 -5.715 15.137 1.00 2.43 H new ATOM 0 HE2 LYS B 36 13.268 -5.575 14.315 1.00 4.21 H new ATOM 0 HE3 LYS B 36 13.595 -4.298 15.469 1.00 4.21 H new ATOM 0 HZ1 LYS B 36 14.256 -6.568 16.179 1.00 74.12 H new ATOM 0 HZ2 LYS B 36 13.232 -5.763 17.269 1.00 74.12 H new ATOM 0 HZ3 LYS B 36 12.611 -6.979 16.260 1.00 74.12 H new ATOM 2414 N ARG B 37 10.854 -4.837 9.728 1.00 43.53 N ATOM 2415 CA ARG B 37 11.319 -5.357 8.477 1.00 13.13 C ATOM 2416 C ARG B 37 10.556 -4.747 7.320 1.00 23.22 C ATOM 2417 O ARG B 37 10.690 -5.185 6.182 1.00 64.55 O ATOM 2418 CB ARG B 37 11.201 -6.877 8.473 1.00 33.02 C ATOM 2419 CG ARG B 37 12.173 -7.556 9.416 1.00 1.44 C ATOM 2420 CD ARG B 37 11.969 -9.052 9.467 1.00 53.52 C ATOM 2421 NE ARG B 37 13.073 -9.725 10.174 1.00 41.33 N ATOM 2422 CZ ARG B 37 13.003 -10.901 10.800 1.00 2.42 C ATOM 2423 NH1 ARG B 37 11.831 -11.503 10.973 1.00 22.05 N ATOM 2424 NH2 ARG B 37 14.118 -11.467 11.250 1.00 53.44 N ATOM 0 H ARG B 37 9.978 -5.248 10.049 1.00 43.53 H new ATOM 0 HA ARG B 37 12.368 -5.089 8.353 1.00 13.13 H new ATOM 0 HB2 ARG B 37 10.184 -7.156 8.748 1.00 33.02 H new ATOM 0 HB3 ARG B 37 11.370 -7.245 7.461 1.00 33.02 H new ATOM 0 HG2 ARG B 37 13.194 -7.341 9.100 1.00 1.44 H new ATOM 0 HG3 ARG B 37 12.055 -7.141 10.417 1.00 1.44 H new ATOM 0 HD2 ARG B 37 11.026 -9.275 9.967 1.00 53.52 H new ATOM 0 HD3 ARG B 37 11.892 -9.444 8.453 1.00 53.52 H new ATOM 0 HE ARG B 37 13.974 -9.247 10.186 1.00 41.33 H new ATOM 0 HH11 ARG B 37 10.977 -11.066 10.626 1.00 22.05 H new ATOM 0 HH12 ARG B 37 11.785 -12.402 11.453 1.00 22.05 H new ATOM 0 HH21 ARG B 37 15.016 -11.002 11.115 1.00 53.44 H new ATOM 0 HH22 ARG B 37 14.076 -12.366 11.730 1.00 53.44 H new ATOM 2438 N SER B 38 9.787 -3.731 7.608 1.00 51.44 N ATOM 2439 CA SER B 38 9.004 -3.090 6.601 1.00 74.23 C ATOM 2440 C SER B 38 9.621 -1.739 6.215 1.00 53.30 C ATOM 2441 O SER B 38 10.320 -1.090 7.022 1.00 14.33 O ATOM 2442 CB SER B 38 7.572 -2.924 7.100 1.00 45.24 C ATOM 2443 OG SER B 38 6.690 -2.494 6.068 1.00 64.11 O ATOM 0 H SER B 38 9.690 -3.331 8.541 1.00 51.44 H new ATOM 0 HA SER B 38 8.990 -3.710 5.705 1.00 74.23 H new ATOM 0 HB2 SER B 38 7.218 -3.872 7.507 1.00 45.24 H new ATOM 0 HB3 SER B 38 7.555 -2.201 7.915 1.00 45.24 H new ATOM 0 HG SER B 38 6.240 -3.272 5.677 1.00 64.11 H new ATOM 2449 N VAL B 39 9.327 -1.310 5.016 1.00 3.32 N ATOM 2450 CA VAL B 39 9.875 -0.106 4.456 1.00 74.22 C ATOM 2451 C VAL B 39 8.787 0.753 3.868 1.00 25.42 C ATOM 2452 O VAL B 39 7.675 0.291 3.614 1.00 50.25 O ATOM 2453 CB VAL B 39 10.953 -0.359 3.348 1.00 1.51 C ATOM 2454 CG1 VAL B 39 12.153 -1.083 3.912 1.00 74.24 C ATOM 2455 CG2 VAL B 39 10.383 -1.112 2.151 1.00 55.40 C ATOM 0 H VAL B 39 8.687 -1.799 4.390 1.00 3.32 H new ATOM 0 HA VAL B 39 10.364 0.399 5.289 1.00 74.22 H new ATOM 0 HB VAL B 39 11.276 0.619 2.992 1.00 1.51 H new ATOM 0 HG11 VAL B 39 12.885 -1.245 3.121 1.00 74.24 H new ATOM 0 HG12 VAL B 39 12.601 -0.483 4.704 1.00 74.24 H new ATOM 0 HG13 VAL B 39 11.840 -2.044 4.319 1.00 74.24 H new ATOM 0 HG21 VAL B 39 11.167 -1.264 1.410 1.00 55.40 H new ATOM 0 HG22 VAL B 39 10.001 -2.079 2.478 1.00 55.40 H new ATOM 0 HG23 VAL B 39 9.573 -0.532 1.709 1.00 55.40 H new ATOM 2465 N TYR B 40 9.138 1.964 3.642 1.00 73.33 N ATOM 2466 CA TYR B 40 8.327 2.965 3.036 1.00 54.32 C ATOM 2467 C TYR B 40 8.883 3.248 1.662 1.00 52.22 C ATOM 2468 O TYR B 40 10.051 3.568 1.531 1.00 71.13 O ATOM 2469 CB TYR B 40 8.390 4.246 3.879 1.00 54.50 C ATOM 2470 CG TYR B 40 7.976 5.501 3.135 1.00 73.35 C ATOM 2471 CD1 TYR B 40 6.657 5.793 2.908 1.00 12.42 C ATOM 2472 CD2 TYR B 40 8.941 6.392 2.650 1.00 50.23 C ATOM 2473 CE1 TYR B 40 6.296 6.921 2.230 1.00 53.22 C ATOM 2474 CE2 TYR B 40 8.581 7.531 1.972 1.00 21.15 C ATOM 2475 CZ TYR B 40 7.258 7.791 1.764 1.00 12.35 C ATOM 2476 OH TYR B 40 6.877 8.943 1.108 1.00 5.22 O ATOM 0 H TYR B 40 10.064 2.311 3.891 1.00 73.33 H new ATOM 0 HA TYR B 40 7.293 2.628 2.968 1.00 54.32 H new ATOM 0 HB2 TYR B 40 7.747 4.126 4.751 1.00 54.50 H new ATOM 0 HB3 TYR B 40 9.407 4.375 4.248 1.00 54.50 H new ATOM 0 HD1 TYR B 40 5.893 5.122 3.270 1.00 12.42 H new ATOM 0 HD2 TYR B 40 9.987 6.180 2.812 1.00 50.23 H new ATOM 0 HE1 TYR B 40 5.251 7.133 2.058 1.00 53.22 H new ATOM 0 HE2 TYR B 40 9.336 8.212 1.608 1.00 21.15 H new ATOM 0 HH TYR B 40 7.674 9.448 0.844 1.00 5.22 H new ATOM 2486 N VAL B 41 8.079 3.093 0.666 1.00 73.13 N ATOM 2487 CA VAL B 41 8.439 3.390 -0.695 1.00 53.42 C ATOM 2488 C VAL B 41 7.545 4.538 -1.175 1.00 52.31 C ATOM 2489 O VAL B 41 6.345 4.366 -1.292 1.00 61.40 O ATOM 2490 CB VAL B 41 8.137 2.160 -1.582 1.00 55.31 C ATOM 2491 CG1 VAL B 41 8.577 2.393 -3.023 1.00 21.53 C ATOM 2492 CG2 VAL B 41 8.795 0.908 -1.012 1.00 73.13 C ATOM 0 H VAL B 41 7.125 2.747 0.770 1.00 73.13 H new ATOM 0 HA VAL B 41 9.496 3.649 -0.756 1.00 53.42 H new ATOM 0 HB VAL B 41 7.057 2.010 -1.585 1.00 55.31 H new ATOM 0 HG11 VAL B 41 8.351 1.510 -3.620 1.00 21.53 H new ATOM 0 HG12 VAL B 41 8.046 3.253 -3.431 1.00 21.53 H new ATOM 0 HG13 VAL B 41 9.650 2.584 -3.050 1.00 21.53 H new ATOM 0 HG21 VAL B 41 8.569 0.055 -1.652 1.00 73.13 H new ATOM 0 HG22 VAL B 41 9.874 1.053 -0.967 1.00 73.13 H new ATOM 0 HG23 VAL B 41 8.412 0.720 -0.009 1.00 73.13 H new ATOM 2502 N GLY B 42 8.103 5.692 -1.426 1.00 34.50 N ATOM 2503 CA GLY B 42 7.284 6.812 -1.851 1.00 20.11 C ATOM 2504 C GLY B 42 7.568 7.274 -3.276 1.00 35.15 C ATOM 2505 O GLY B 42 8.490 6.776 -3.928 1.00 53.32 O ATOM 0 H GLY B 42 9.101 5.887 -1.348 1.00 34.50 H new ATOM 0 HA2 GLY B 42 6.233 6.533 -1.772 1.00 20.11 H new ATOM 0 HA3 GLY B 42 7.444 7.647 -1.169 1.00 20.11 H new ATOM 2509 N ASN B 43 6.766 8.250 -3.727 1.00 5.02 N ATOM 2510 CA ASN B 43 6.821 8.895 -5.080 1.00 11.32 C ATOM 2511 C ASN B 43 6.545 7.933 -6.283 1.00 62.24 C ATOM 2512 O ASN B 43 6.555 8.334 -7.450 1.00 2.31 O ATOM 2513 CB ASN B 43 8.127 9.734 -5.253 1.00 63.12 C ATOM 2514 CG ASN B 43 8.184 10.538 -6.559 1.00 51.22 C ATOM 2515 OD1 ASN B 43 8.863 10.021 -7.554 1.00 64.21 O flip ATOM 2516 ND2 ASN B 43 7.663 11.647 -6.640 1.00 11.41 N flip ATOM 0 H ASN B 43 6.024 8.640 -3.146 1.00 5.02 H new ATOM 0 HA ASN B 43 5.976 9.583 -5.111 1.00 11.32 H new ATOM 0 HB2 ASN B 43 8.220 10.420 -4.411 1.00 63.12 H new ATOM 0 HB3 ASN B 43 8.985 9.063 -5.213 1.00 63.12 H new ATOM 0 HD21 ASN B 43 7.140 12.024 -5.849 1.00 11.41 H new ATOM 0 HD22 ASN B 43 7.753 12.191 -7.498 1.00 11.41 H new ATOM 2523 N VAL B 44 6.264 6.696 -6.002 1.00 41.41 N ATOM 2524 CA VAL B 44 5.960 5.743 -7.060 1.00 72.54 C ATOM 2525 C VAL B 44 4.439 5.710 -7.341 1.00 63.35 C ATOM 2526 O VAL B 44 3.666 5.148 -6.585 1.00 63.13 O ATOM 2527 CB VAL B 44 6.546 4.323 -6.765 1.00 32.40 C ATOM 2528 CG1 VAL B 44 6.036 3.742 -5.444 1.00 4.21 C ATOM 2529 CG2 VAL B 44 6.274 3.383 -7.920 1.00 60.12 C ATOM 0 H VAL B 44 6.235 6.311 -5.058 1.00 41.41 H new ATOM 0 HA VAL B 44 6.455 6.083 -7.969 1.00 72.54 H new ATOM 0 HB VAL B 44 7.625 4.436 -6.657 1.00 32.40 H new ATOM 0 HG11 VAL B 44 6.473 2.756 -5.287 1.00 4.21 H new ATOM 0 HG12 VAL B 44 6.321 4.400 -4.623 1.00 4.21 H new ATOM 0 HG13 VAL B 44 4.950 3.656 -5.480 1.00 4.21 H new ATOM 0 HG21 VAL B 44 6.690 2.401 -7.695 1.00 60.12 H new ATOM 0 HG22 VAL B 44 5.198 3.296 -8.073 1.00 60.12 H new ATOM 0 HG23 VAL B 44 6.738 3.775 -8.825 1.00 60.12 H new ATOM 2539 N ASP B 45 4.020 6.299 -8.452 1.00 73.40 N ATOM 2540 CA ASP B 45 2.592 6.480 -8.701 1.00 73.41 C ATOM 2541 C ASP B 45 2.180 5.659 -9.906 1.00 41.52 C ATOM 2542 O ASP B 45 2.843 5.751 -10.938 1.00 43.34 O ATOM 2543 CB ASP B 45 2.272 7.961 -9.067 1.00 53.50 C ATOM 2544 CG ASP B 45 2.840 9.034 -8.140 1.00 14.53 C ATOM 2545 OD1 ASP B 45 2.451 9.117 -6.990 1.00 0.54 O ATOM 2546 OD2 ASP B 45 3.658 9.857 -8.611 1.00 71.24 O ATOM 0 H ASP B 45 4.634 6.655 -9.185 1.00 73.40 H new ATOM 0 HA ASP B 45 2.065 6.180 -7.795 1.00 73.41 H new ATOM 0 HB2 ASP B 45 2.643 8.150 -10.074 1.00 53.50 H new ATOM 0 HB3 ASP B 45 1.189 8.077 -9.099 1.00 53.50 H new ATOM 2551 N TYR B 46 1.091 4.867 -9.783 1.00 22.24 N ATOM 2552 CA TYR B 46 0.412 4.131 -10.904 1.00 72.12 C ATOM 2553 C TYR B 46 1.209 3.216 -11.859 1.00 61.52 C ATOM 2554 O TYR B 46 0.821 2.059 -12.044 1.00 2.15 O ATOM 2555 CB TYR B 46 -0.598 5.018 -11.636 1.00 11.30 C ATOM 2556 CG TYR B 46 -1.894 5.159 -10.896 1.00 32.35 C ATOM 2557 CD1 TYR B 46 -1.957 5.768 -9.657 1.00 2.11 C ATOM 2558 CD2 TYR B 46 -3.069 4.670 -11.448 1.00 53.14 C ATOM 2559 CE1 TYR B 46 -3.147 5.880 -8.989 1.00 63.13 C ATOM 2560 CE2 TYR B 46 -4.263 4.784 -10.788 1.00 52.23 C ATOM 2561 CZ TYR B 46 -4.301 5.387 -9.559 1.00 31.13 C ATOM 2562 OH TYR B 46 -5.493 5.508 -8.897 1.00 32.23 O ATOM 0 H TYR B 46 0.639 4.710 -8.882 1.00 22.24 H new ATOM 0 HA TYR B 46 -0.091 3.352 -10.331 1.00 72.12 H new ATOM 0 HB2 TYR B 46 -0.163 6.006 -11.788 1.00 11.30 H new ATOM 0 HB3 TYR B 46 -0.793 4.600 -12.623 1.00 11.30 H new ATOM 0 HD1 TYR B 46 -1.056 6.161 -9.210 1.00 2.11 H new ATOM 0 HD2 TYR B 46 -3.041 4.191 -12.416 1.00 53.14 H new ATOM 0 HE1 TYR B 46 -3.181 6.353 -8.019 1.00 63.13 H new ATOM 0 HE2 TYR B 46 -5.169 4.401 -11.234 1.00 52.23 H new ATOM 0 HH TYR B 46 -6.197 5.054 -9.406 1.00 32.23 H new ATOM 2572 N GLY B 47 2.267 3.714 -12.454 1.00 1.23 N ATOM 2573 CA GLY B 47 3.012 2.968 -13.457 1.00 72.14 C ATOM 2574 C GLY B 47 3.584 1.665 -12.961 1.00 32.45 C ATOM 2575 O GLY B 47 3.611 0.679 -13.693 1.00 61.55 O ATOM 0 H GLY B 47 2.640 4.644 -12.262 1.00 1.23 H new ATOM 0 HA2 GLY B 47 2.356 2.765 -14.304 1.00 72.14 H new ATOM 0 HA3 GLY B 47 3.826 3.592 -13.827 1.00 72.14 H new ATOM 2579 N SER B 48 4.017 1.646 -11.736 1.00 1.22 N ATOM 2580 CA SER B 48 4.630 0.474 -11.198 1.00 71.23 C ATOM 2581 C SER B 48 3.577 -0.403 -10.524 1.00 2.13 C ATOM 2582 O SER B 48 2.573 0.098 -9.983 1.00 44.01 O ATOM 2583 CB SER B 48 5.722 0.863 -10.216 1.00 12.21 C ATOM 2584 OG SER B 48 6.460 -0.259 -9.800 1.00 12.24 O ATOM 0 H SER B 48 3.956 2.433 -11.090 1.00 1.22 H new ATOM 0 HA SER B 48 5.085 -0.098 -12.007 1.00 71.23 H new ATOM 0 HB2 SER B 48 6.390 1.588 -10.681 1.00 12.21 H new ATOM 0 HB3 SER B 48 5.277 1.350 -9.348 1.00 12.21 H new ATOM 0 HG SER B 48 7.080 -0.525 -10.511 1.00 12.24 H new ATOM 2590 N THR B 49 3.794 -1.690 -10.576 1.00 11.42 N ATOM 2591 CA THR B 49 2.902 -2.651 -10.009 1.00 24.44 C ATOM 2592 C THR B 49 3.635 -3.456 -8.930 1.00 3.32 C ATOM 2593 O THR B 49 4.829 -3.239 -8.713 1.00 73.01 O ATOM 2594 CB THR B 49 2.386 -3.585 -11.105 1.00 72.04 C ATOM 2595 OG1 THR B 49 3.503 -4.220 -11.761 1.00 64.12 O ATOM 2596 CG2 THR B 49 1.558 -2.814 -12.133 1.00 20.22 C ATOM 0 H THR B 49 4.613 -2.102 -11.023 1.00 11.42 H new ATOM 0 HA THR B 49 2.054 -2.138 -9.555 1.00 24.44 H new ATOM 0 HB THR B 49 1.748 -4.340 -10.645 1.00 72.04 H new ATOM 0 HG1 THR B 49 3.173 -4.820 -12.462 1.00 64.12 H new ATOM 0 HG21 THR B 49 1.202 -3.500 -12.902 1.00 20.22 H new ATOM 0 HG22 THR B 49 0.705 -2.349 -11.638 1.00 20.22 H new ATOM 0 HG23 THR B 49 2.175 -2.042 -12.593 1.00 20.22 H new ATOM 2604 N ALA B 50 2.944 -4.387 -8.267 1.00 51.44 N ATOM 2605 CA ALA B 50 3.534 -5.174 -7.189 1.00 2.50 C ATOM 2606 C ALA B 50 4.744 -5.999 -7.671 1.00 4.15 C ATOM 2607 O ALA B 50 5.803 -5.941 -7.051 1.00 3.04 O ATOM 2608 CB ALA B 50 2.465 -6.066 -6.575 1.00 11.25 C ATOM 0 H ALA B 50 1.969 -4.613 -8.462 1.00 51.44 H new ATOM 0 HA ALA B 50 3.912 -4.491 -6.428 1.00 2.50 H new ATOM 0 HB1 ALA B 50 2.902 -6.656 -5.769 1.00 11.25 H new ATOM 0 HB2 ALA B 50 1.660 -5.448 -6.177 1.00 11.25 H new ATOM 0 HB3 ALA B 50 2.066 -6.734 -7.338 1.00 11.25 H new ATOM 2614 N GLN B 51 4.594 -6.755 -8.772 1.00 3.23 N ATOM 2615 CA GLN B 51 5.730 -7.545 -9.311 1.00 71.11 C ATOM 2616 C GLN B 51 6.911 -6.645 -9.654 1.00 3.15 C ATOM 2617 O GLN B 51 8.074 -7.001 -9.417 1.00 14.05 O ATOM 2618 CB GLN B 51 5.373 -8.298 -10.589 1.00 4.21 C ATOM 2619 CG GLN B 51 4.215 -9.252 -10.522 1.00 4.00 C ATOM 2620 CD GLN B 51 4.088 -10.024 -11.819 1.00 11.41 C ATOM 2621 OE1 GLN B 51 5.078 -10.348 -12.461 1.00 53.50 O ATOM 2622 NE2 GLN B 51 2.911 -10.223 -12.262 1.00 23.33 N ATOM 0 H GLN B 51 3.725 -6.840 -9.299 1.00 3.23 H new ATOM 0 HA GLN B 51 5.982 -8.254 -8.522 1.00 71.11 H new ATOM 0 HB2 GLN B 51 5.161 -7.564 -11.366 1.00 4.21 H new ATOM 0 HB3 GLN B 51 6.253 -8.856 -10.909 1.00 4.21 H new ATOM 0 HG2 GLN B 51 4.354 -9.945 -9.692 1.00 4.00 H new ATOM 0 HG3 GLN B 51 3.294 -8.702 -10.327 1.00 4.00 H new ATOM 0 HE21 GLN B 51 2.103 -9.943 -11.706 1.00 23.33 H new ATOM 0 HE22 GLN B 51 2.776 -10.662 -13.173 1.00 23.33 H new ATOM 2631 N ASP B 52 6.606 -5.495 -10.232 1.00 53.44 N ATOM 2632 CA ASP B 52 7.624 -4.528 -10.648 1.00 61.41 C ATOM 2633 C ASP B 52 8.385 -4.024 -9.428 1.00 74.33 C ATOM 2634 O ASP B 52 9.631 -4.033 -9.396 1.00 2.42 O ATOM 2635 CB ASP B 52 6.948 -3.373 -11.405 1.00 61.34 C ATOM 2636 CG ASP B 52 7.905 -2.317 -11.931 1.00 10.41 C ATOM 2637 OD1 ASP B 52 9.061 -2.619 -12.224 1.00 61.23 O ATOM 2638 OD2 ASP B 52 7.482 -1.171 -12.078 1.00 4.22 O ATOM 0 H ASP B 52 5.649 -5.200 -10.428 1.00 53.44 H new ATOM 0 HA ASP B 52 8.341 -5.004 -11.317 1.00 61.41 H new ATOM 0 HB2 ASP B 52 6.386 -3.785 -12.243 1.00 61.34 H new ATOM 0 HB3 ASP B 52 6.227 -2.894 -10.742 1.00 61.34 H new ATOM 2643 N LEU B 53 7.637 -3.650 -8.411 1.00 11.15 N ATOM 2644 CA LEU B 53 8.207 -3.198 -7.162 1.00 50.43 C ATOM 2645 C LEU B 53 9.028 -4.280 -6.479 1.00 42.34 C ATOM 2646 O LEU B 53 10.164 -4.010 -6.038 1.00 72.14 O ATOM 2647 CB LEU B 53 7.118 -2.656 -6.236 1.00 75.43 C ATOM 2648 CG LEU B 53 6.516 -1.317 -6.642 1.00 1.20 C ATOM 2649 CD1 LEU B 53 5.322 -0.987 -5.767 1.00 33.51 C ATOM 2650 CD2 LEU B 53 7.579 -0.223 -6.525 1.00 53.12 C ATOM 0 H LEU B 53 6.617 -3.651 -8.428 1.00 11.15 H new ATOM 0 HA LEU B 53 8.895 -2.385 -7.394 1.00 50.43 H new ATOM 0 HB2 LEU B 53 6.316 -3.392 -6.178 1.00 75.43 H new ATOM 0 HB3 LEU B 53 7.534 -2.558 -5.233 1.00 75.43 H new ATOM 0 HG LEU B 53 6.176 -1.377 -7.676 1.00 1.20 H new ATOM 0 HD11 LEU B 53 4.903 -0.027 -6.070 1.00 33.51 H new ATOM 0 HD12 LEU B 53 4.565 -1.764 -5.876 1.00 33.51 H new ATOM 0 HD13 LEU B 53 5.638 -0.932 -4.725 1.00 33.51 H new ATOM 0 HD21 LEU B 53 7.148 0.735 -6.816 1.00 53.12 H new ATOM 0 HD22 LEU B 53 7.930 -0.166 -5.495 1.00 53.12 H new ATOM 0 HD23 LEU B 53 8.417 -0.458 -7.181 1.00 53.12 H new ATOM 2662 N GLU B 54 8.493 -5.514 -6.399 1.00 63.44 N ATOM 2663 CA GLU B 54 9.237 -6.592 -5.779 1.00 53.33 C ATOM 2664 C GLU B 54 10.559 -6.840 -6.446 1.00 11.21 C ATOM 2665 O GLU B 54 11.555 -6.919 -5.774 1.00 20.51 O ATOM 2666 CB GLU B 54 8.478 -7.925 -5.726 1.00 74.54 C ATOM 2667 CG GLU B 54 7.231 -7.959 -4.869 1.00 33.22 C ATOM 2668 CD GLU B 54 6.784 -9.377 -4.637 1.00 23.11 C ATOM 2669 OE1 GLU B 54 7.322 -10.038 -3.728 1.00 31.13 O ATOM 2670 OE2 GLU B 54 5.923 -9.885 -5.372 1.00 51.23 O ATOM 0 H GLU B 54 7.571 -5.771 -6.751 1.00 63.44 H new ATOM 0 HA GLU B 54 9.392 -6.239 -4.759 1.00 53.33 H new ATOM 0 HB2 GLU B 54 8.200 -8.200 -6.743 1.00 74.54 H new ATOM 0 HB3 GLU B 54 9.162 -8.693 -5.364 1.00 74.54 H new ATOM 0 HG2 GLU B 54 7.427 -7.473 -3.913 1.00 33.22 H new ATOM 0 HG3 GLU B 54 6.434 -7.396 -5.355 1.00 33.22 H new ATOM 2677 N ALA B 55 10.571 -6.927 -7.759 1.00 61.40 N ATOM 2678 CA ALA B 55 11.804 -7.241 -8.493 1.00 42.44 C ATOM 2679 C ALA B 55 12.942 -6.270 -8.173 1.00 4.15 C ATOM 2680 O ALA B 55 14.098 -6.684 -7.875 1.00 32.12 O ATOM 2681 CB ALA B 55 11.549 -7.293 -9.991 1.00 73.12 C ATOM 0 H ALA B 55 9.751 -6.787 -8.349 1.00 61.40 H new ATOM 0 HA ALA B 55 12.123 -8.228 -8.158 1.00 42.44 H new ATOM 0 HB1 ALA B 55 12.478 -7.527 -10.510 1.00 73.12 H new ATOM 0 HB2 ALA B 55 10.808 -8.063 -10.207 1.00 73.12 H new ATOM 0 HB3 ALA B 55 11.177 -6.326 -10.331 1.00 73.12 H new ATOM 2687 N HIS B 56 12.613 -4.992 -8.165 1.00 4.45 N ATOM 2688 CA HIS B 56 13.604 -3.962 -7.927 1.00 35.21 C ATOM 2689 C HIS B 56 14.121 -4.039 -6.487 1.00 13.30 C ATOM 2690 O HIS B 56 15.291 -3.792 -6.233 1.00 10.00 O ATOM 2691 CB HIS B 56 13.043 -2.572 -8.248 1.00 71.43 C ATOM 2692 CG HIS B 56 14.077 -1.473 -8.246 1.00 14.33 C ATOM 2693 ND1 HIS B 56 14.676 -1.011 -9.388 1.00 50.22 N ATOM 2694 CD2 HIS B 56 14.605 -0.746 -7.239 1.00 32.23 C ATOM 2695 CE1 HIS B 56 15.526 -0.059 -9.094 1.00 73.21 C ATOM 2696 NE2 HIS B 56 15.506 0.127 -7.792 1.00 24.53 N ATOM 0 H HIS B 56 11.667 -4.643 -8.321 1.00 4.45 H new ATOM 0 HA HIS B 56 14.447 -4.134 -8.597 1.00 35.21 H new ATOM 0 HB2 HIS B 56 12.564 -2.603 -9.226 1.00 71.43 H new ATOM 0 HB3 HIS B 56 12.268 -2.328 -7.521 1.00 71.43 H new ATOM 0 HD2 HIS B 56 14.362 -0.835 -6.190 1.00 32.23 H new ATOM 0 HE1 HIS B 56 16.139 0.481 -9.800 1.00 73.21 H new ATOM 0 HE2 HIS B 56 16.067 0.807 -7.279 1.00 24.53 H new ATOM 2705 N PHE B 57 13.249 -4.382 -5.554 1.00 63.40 N ATOM 2706 CA PHE B 57 13.646 -4.545 -4.162 1.00 63.12 C ATOM 2707 C PHE B 57 14.285 -5.893 -3.880 1.00 41.32 C ATOM 2708 O PHE B 57 15.049 -6.033 -2.937 1.00 23.12 O ATOM 2709 CB PHE B 57 12.514 -4.267 -3.192 1.00 3.33 C ATOM 2710 CG PHE B 57 12.295 -2.816 -2.907 1.00 54.13 C ATOM 2711 CD1 PHE B 57 13.138 -2.162 -2.043 1.00 61.41 C ATOM 2712 CD2 PHE B 57 11.252 -2.114 -3.462 1.00 74.03 C ATOM 2713 CE1 PHE B 57 12.946 -0.837 -1.741 1.00 73.31 C ATOM 2714 CE2 PHE B 57 11.053 -0.796 -3.156 1.00 65.02 C ATOM 2715 CZ PHE B 57 11.902 -0.162 -2.298 1.00 65.11 C ATOM 0 H PHE B 57 12.260 -4.554 -5.734 1.00 63.40 H new ATOM 0 HA PHE B 57 14.411 -3.787 -3.995 1.00 63.12 H new ATOM 0 HB2 PHE B 57 11.593 -4.690 -3.594 1.00 3.33 H new ATOM 0 HB3 PHE B 57 12.719 -4.783 -2.254 1.00 3.33 H new ATOM 0 HD1 PHE B 57 13.963 -2.697 -1.595 1.00 61.41 H new ATOM 0 HD2 PHE B 57 10.581 -2.609 -4.148 1.00 74.03 H new ATOM 0 HE1 PHE B 57 13.620 -0.332 -1.065 1.00 73.31 H new ATOM 0 HE2 PHE B 57 10.225 -0.258 -3.593 1.00 65.02 H new ATOM 0 HZ PHE B 57 11.746 0.880 -2.059 1.00 65.11 H new ATOM 2725 N SER B 58 13.990 -6.871 -4.719 1.00 21.34 N ATOM 2726 CA SER B 58 14.489 -8.223 -4.533 1.00 50.15 C ATOM 2727 C SER B 58 15.971 -8.272 -4.715 1.00 55.21 C ATOM 2728 O SER B 58 16.652 -9.118 -4.130 1.00 11.42 O ATOM 2729 CB SER B 58 13.806 -9.226 -5.460 1.00 62.01 C ATOM 2730 OG SER B 58 12.423 -9.330 -5.176 1.00 3.15 O ATOM 0 H SER B 58 13.402 -6.752 -5.544 1.00 21.34 H new ATOM 0 HA SER B 58 14.249 -8.511 -3.510 1.00 50.15 H new ATOM 0 HB2 SER B 58 13.944 -8.919 -6.497 1.00 62.01 H new ATOM 0 HB3 SER B 58 14.276 -10.203 -5.351 1.00 62.01 H new ATOM 0 HG SER B 58 12.053 -8.436 -5.019 1.00 3.15 H new ATOM 2736 N SER B 59 16.491 -7.372 -5.533 1.00 60.13 N ATOM 2737 CA SER B 59 17.917 -7.257 -5.708 1.00 41.41 C ATOM 2738 C SER B 59 18.613 -6.944 -4.363 1.00 72.12 C ATOM 2739 O SER B 59 19.764 -7.341 -4.131 1.00 12.43 O ATOM 2740 CB SER B 59 18.176 -6.149 -6.703 1.00 44.40 C ATOM 2741 OG SER B 59 17.409 -6.371 -7.874 1.00 63.25 O ATOM 0 H SER B 59 15.941 -6.713 -6.084 1.00 60.13 H new ATOM 0 HA SER B 59 18.323 -8.200 -6.075 1.00 41.41 H new ATOM 0 HB2 SER B 59 17.917 -5.185 -6.264 1.00 44.40 H new ATOM 0 HB3 SER B 59 19.236 -6.112 -6.953 1.00 44.40 H new ATOM 0 HG SER B 59 17.577 -5.651 -8.517 1.00 63.25 H new ATOM 2747 N CYS B 60 17.909 -6.244 -3.491 1.00 40.11 N ATOM 2748 CA CYS B 60 18.444 -5.864 -2.208 1.00 22.11 C ATOM 2749 C CYS B 60 17.849 -6.660 -1.038 1.00 33.43 C ATOM 2750 O CYS B 60 18.261 -6.470 0.108 1.00 74.32 O ATOM 2751 CB CYS B 60 18.244 -4.368 -2.004 1.00 4.25 C ATOM 2752 SG CYS B 60 19.120 -3.356 -3.225 1.00 13.13 S ATOM 0 H CYS B 60 16.954 -5.927 -3.657 1.00 40.11 H new ATOM 0 HA CYS B 60 19.507 -6.103 -2.215 1.00 22.11 H new ATOM 0 HB2 CYS B 60 17.179 -4.141 -2.051 1.00 4.25 H new ATOM 0 HB3 CYS B 60 18.584 -4.096 -1.005 1.00 4.25 H new ATOM 0 HG CYS B 60 18.466 -2.250 -3.421 1.00 13.13 H new ATOM 2758 N GLY B 61 16.943 -7.571 -1.318 1.00 11.13 N ATOM 2759 CA GLY B 61 16.326 -8.296 -0.233 1.00 43.40 C ATOM 2760 C GLY B 61 15.272 -9.280 -0.670 1.00 41.31 C ATOM 2761 O GLY B 61 14.822 -9.251 -1.798 1.00 60.15 O ATOM 0 H GLY B 61 16.626 -7.821 -2.255 1.00 11.13 H new ATOM 0 HA2 GLY B 61 17.100 -8.830 0.319 1.00 43.40 H new ATOM 0 HA3 GLY B 61 15.877 -7.582 0.458 1.00 43.40 H new ATOM 2765 N SER B 62 14.905 -10.169 0.217 1.00 34.45 N ATOM 2766 CA SER B 62 13.862 -11.133 -0.045 1.00 3.44 C ATOM 2767 C SER B 62 12.558 -10.634 0.585 1.00 32.25 C ATOM 2768 O SER B 62 12.494 -10.407 1.801 1.00 3.31 O ATOM 2769 CB SER B 62 14.273 -12.482 0.531 1.00 34.42 C ATOM 2770 OG SER B 62 15.520 -12.891 -0.019 1.00 12.25 O ATOM 0 H SER B 62 15.321 -10.247 1.145 1.00 34.45 H new ATOM 0 HA SER B 62 13.707 -11.252 -1.117 1.00 3.44 H new ATOM 0 HB2 SER B 62 14.350 -12.414 1.616 1.00 34.42 H new ATOM 0 HB3 SER B 62 13.508 -13.227 0.312 1.00 34.42 H new ATOM 0 HG SER B 62 15.776 -13.758 0.359 1.00 12.25 H new ATOM 2776 N ILE B 63 11.550 -10.457 -0.231 1.00 22.13 N ATOM 2777 CA ILE B 63 10.298 -9.869 0.204 1.00 51.14 C ATOM 2778 C ILE B 63 9.330 -10.851 0.895 1.00 52.43 C ATOM 2779 O ILE B 63 9.064 -11.954 0.407 1.00 33.42 O ATOM 2780 CB ILE B 63 9.628 -9.075 -0.954 1.00 14.52 C ATOM 2781 CG1 ILE B 63 10.542 -7.913 -1.357 1.00 4.22 C ATOM 2782 CG2 ILE B 63 8.244 -8.571 -0.564 1.00 35.12 C ATOM 2783 CD1 ILE B 63 10.057 -7.123 -2.533 1.00 43.22 C ATOM 0 H ILE B 63 11.569 -10.715 -1.218 1.00 22.13 H new ATOM 0 HA ILE B 63 10.556 -9.164 0.994 1.00 51.14 H new ATOM 0 HB ILE B 63 9.491 -9.743 -1.805 1.00 14.52 H new ATOM 0 HG12 ILE B 63 10.653 -7.242 -0.505 1.00 4.22 H new ATOM 0 HG13 ILE B 63 11.532 -8.308 -1.583 1.00 4.22 H new ATOM 0 HG21 ILE B 63 7.808 -8.021 -1.398 1.00 35.12 H new ATOM 0 HG22 ILE B 63 7.605 -9.418 -0.315 1.00 35.12 H new ATOM 0 HG23 ILE B 63 8.327 -7.912 0.300 1.00 35.12 H new ATOM 0 HD11 ILE B 63 10.763 -6.321 -2.749 1.00 43.22 H new ATOM 0 HD12 ILE B 63 9.973 -7.777 -3.401 1.00 43.22 H new ATOM 0 HD13 ILE B 63 9.081 -6.695 -2.306 1.00 43.22 H new ATOM 2795 N ASN B 64 8.865 -10.420 2.063 1.00 62.24 N ATOM 2796 CA ASN B 64 7.894 -11.125 2.909 1.00 20.42 C ATOM 2797 C ASN B 64 6.478 -10.727 2.491 1.00 72.40 C ATOM 2798 O ASN B 64 5.612 -11.577 2.292 1.00 64.02 O ATOM 2799 CB ASN B 64 8.173 -10.746 4.401 1.00 40.11 C ATOM 2800 CG ASN B 64 7.241 -11.340 5.466 1.00 64.22 C ATOM 2801 OD1 ASN B 64 6.068 -11.582 5.250 1.00 41.15 O ATOM 2802 ND2 ASN B 64 7.789 -11.566 6.641 1.00 15.21 N ATOM 0 H ASN B 64 9.164 -9.533 2.468 1.00 62.24 H new ATOM 0 HA ASN B 64 7.989 -12.205 2.795 1.00 20.42 H new ATOM 0 HB2 ASN B 64 9.193 -11.047 4.640 1.00 40.11 H new ATOM 0 HB3 ASN B 64 8.133 -9.660 4.486 1.00 40.11 H new ATOM 0 HD21 ASN B 64 7.228 -11.954 7.399 1.00 15.21 H new ATOM 0 HD22 ASN B 64 8.775 -11.353 6.793 1.00 15.21 H new ATOM 2809 N ARG B 65 6.265 -9.437 2.312 1.00 20.35 N ATOM 2810 CA ARG B 65 4.959 -8.907 1.914 1.00 14.44 C ATOM 2811 C ARG B 65 5.141 -7.573 1.237 1.00 71.15 C ATOM 2812 O ARG B 65 6.206 -6.964 1.326 1.00 2.04 O ATOM 2813 CB ARG B 65 3.984 -8.702 3.080 1.00 32.22 C ATOM 2814 CG ARG B 65 3.706 -9.888 3.996 1.00 71.35 C ATOM 2815 CD ARG B 65 2.581 -9.536 4.943 1.00 10.42 C ATOM 2816 NE ARG B 65 2.867 -8.280 5.579 1.00 23.32 N ATOM 2817 CZ ARG B 65 1.958 -7.460 6.197 1.00 13.03 C ATOM 2818 NH1 ARG B 65 0.707 -7.874 6.411 1.00 31.12 N ATOM 2819 NH2 ARG B 65 2.313 -6.240 6.586 1.00 32.54 N ATOM 0 H ARG B 65 6.984 -8.724 2.436 1.00 20.35 H new ATOM 0 HA ARG B 65 4.529 -9.656 1.249 1.00 14.44 H new ATOM 0 HB2 ARG B 65 4.365 -7.887 3.695 1.00 32.22 H new ATOM 0 HB3 ARG B 65 3.032 -8.370 2.665 1.00 32.22 H new ATOM 0 HG2 ARG B 65 3.438 -10.764 3.405 1.00 71.35 H new ATOM 0 HG3 ARG B 65 4.603 -10.145 4.559 1.00 71.35 H new ATOM 0 HD2 ARG B 65 1.639 -9.474 4.399 1.00 10.42 H new ATOM 0 HD3 ARG B 65 2.465 -10.318 5.693 1.00 10.42 H new ATOM 0 HE ARG B 65 3.838 -7.969 5.570 1.00 23.32 H new ATOM 0 HH11 ARG B 65 0.421 -8.807 6.114 1.00 31.12 H new ATOM 0 HH12 ARG B 65 0.037 -7.257 6.871 1.00 31.12 H new ATOM 0 HH21 ARG B 65 3.265 -5.910 6.425 1.00 32.54 H new ATOM 0 HH22 ARG B 65 1.634 -5.633 7.045 1.00 32.54 H new ATOM 2833 N ILE B 66 4.106 -7.120 0.584 1.00 22.31 N ATOM 2834 CA ILE B 66 4.111 -5.858 -0.102 1.00 13.33 C ATOM 2835 C ILE B 66 2.723 -5.232 -0.128 1.00 0.31 C ATOM 2836 O ILE B 66 1.726 -5.909 -0.376 1.00 74.31 O ATOM 2837 CB ILE B 66 4.821 -5.898 -1.511 1.00 10.21 C ATOM 2838 CG1 ILE B 66 4.426 -4.718 -2.427 1.00 35.31 C ATOM 2839 CG2 ILE B 66 4.732 -7.241 -2.193 1.00 30.34 C ATOM 2840 CD1 ILE B 66 5.131 -4.706 -3.771 1.00 3.15 C ATOM 0 H ILE B 66 3.223 -7.625 0.513 1.00 22.31 H new ATOM 0 HA ILE B 66 4.742 -5.190 0.484 1.00 13.33 H new ATOM 0 HB ILE B 66 5.881 -5.758 -1.300 1.00 10.21 H new ATOM 0 HG12 ILE B 66 3.349 -4.749 -2.595 1.00 35.31 H new ATOM 0 HG13 ILE B 66 4.641 -3.783 -1.909 1.00 35.31 H new ATOM 0 HG21 ILE B 66 5.241 -7.195 -3.156 1.00 30.34 H new ATOM 0 HG22 ILE B 66 5.205 -7.998 -1.568 1.00 30.34 H new ATOM 0 HG23 ILE B 66 3.685 -7.501 -2.348 1.00 30.34 H new ATOM 0 HD11 ILE B 66 4.796 -3.846 -4.350 1.00 3.15 H new ATOM 0 HD12 ILE B 66 6.208 -4.642 -3.616 1.00 3.15 H new ATOM 0 HD13 ILE B 66 4.896 -5.622 -4.313 1.00 3.15 H new ATOM 2852 N THR B 67 2.680 -3.962 0.169 1.00 22.52 N ATOM 2853 CA THR B 67 1.467 -3.194 0.240 1.00 32.32 C ATOM 2854 C THR B 67 1.634 -1.985 -0.677 1.00 71.30 C ATOM 2855 O THR B 67 2.657 -1.332 -0.623 1.00 53.23 O ATOM 2856 CB THR B 67 1.250 -2.696 1.689 1.00 12.11 C ATOM 2857 OG1 THR B 67 1.332 -3.808 2.602 1.00 41.34 O ATOM 2858 CG2 THR B 67 -0.106 -2.013 1.835 1.00 53.31 C ATOM 0 H THR B 67 3.516 -3.415 0.375 1.00 22.52 H new ATOM 0 HA THR B 67 0.614 -3.802 -0.060 1.00 32.32 H new ATOM 0 HB THR B 67 2.028 -1.970 1.922 1.00 12.11 H new ATOM 0 HG1 THR B 67 1.196 -3.489 3.519 1.00 41.34 H new ATOM 0 HG21 THR B 67 -0.233 -1.673 2.863 1.00 53.31 H new ATOM 0 HG22 THR B 67 -0.157 -1.158 1.161 1.00 53.31 H new ATOM 0 HG23 THR B 67 -0.898 -2.719 1.586 1.00 53.31 H new ATOM 2866 N ILE B 68 0.663 -1.684 -1.504 1.00 50.23 N ATOM 2867 CA ILE B 68 0.775 -0.539 -2.393 1.00 14.35 C ATOM 2868 C ILE B 68 -0.495 0.267 -2.240 1.00 71.13 C ATOM 2869 O ILE B 68 -1.578 -0.287 -2.366 1.00 70.20 O ATOM 2870 CB ILE B 68 0.885 -0.901 -3.933 1.00 50.43 C ATOM 2871 CG1 ILE B 68 1.839 -2.066 -4.255 1.00 10.15 C ATOM 2872 CG2 ILE B 68 1.320 0.320 -4.738 1.00 71.02 C ATOM 2873 CD1 ILE B 68 1.281 -3.433 -3.923 1.00 30.24 C ATOM 0 H ILE B 68 -0.209 -2.207 -1.585 1.00 50.23 H new ATOM 0 HA ILE B 68 1.691 -0.018 -2.114 1.00 14.35 H new ATOM 0 HB ILE B 68 -0.116 -1.227 -4.214 1.00 50.43 H new ATOM 0 HG12 ILE B 68 2.088 -2.035 -5.316 1.00 10.15 H new ATOM 0 HG13 ILE B 68 2.769 -1.922 -3.705 1.00 10.15 H new ATOM 0 HG21 ILE B 68 1.391 0.054 -5.793 1.00 71.02 H new ATOM 0 HG22 ILE B 68 0.588 1.118 -4.613 1.00 71.02 H new ATOM 0 HG23 ILE B 68 2.293 0.661 -4.384 1.00 71.02 H new ATOM 0 HD11 ILE B 68 2.014 -4.197 -4.180 1.00 30.24 H new ATOM 0 HD12 ILE B 68 1.059 -3.486 -2.857 1.00 30.24 H new ATOM 0 HD13 ILE B 68 0.367 -3.601 -4.493 1.00 30.24 H new ATOM 2885 N LEU B 69 -0.385 1.523 -1.930 1.00 63.01 N ATOM 2886 CA LEU B 69 -1.558 2.358 -1.863 1.00 75.45 C ATOM 2887 C LEU B 69 -1.468 3.520 -2.816 1.00 64.52 C ATOM 2888 O LEU B 69 -0.441 4.191 -2.905 1.00 10.42 O ATOM 2889 CB LEU B 69 -2.009 2.784 -0.437 1.00 51.44 C ATOM 2890 CG LEU B 69 -1.024 3.520 0.468 1.00 45.41 C ATOM 2891 CD1 LEU B 69 -1.790 4.075 1.660 1.00 5.43 C ATOM 2892 CD2 LEU B 69 0.061 2.587 0.977 1.00 11.43 C ATOM 0 H LEU B 69 0.495 1.995 -1.720 1.00 63.01 H new ATOM 0 HA LEU B 69 -2.369 1.709 -2.193 1.00 75.45 H new ATOM 0 HB2 LEU B 69 -2.889 3.417 -0.547 1.00 51.44 H new ATOM 0 HB3 LEU B 69 -2.328 1.884 0.089 1.00 51.44 H new ATOM 0 HG LEU B 69 -0.551 4.317 -0.105 1.00 45.41 H new ATOM 0 HD11 LEU B 69 -1.103 4.605 2.319 1.00 5.43 H new ATOM 0 HD12 LEU B 69 -2.560 4.763 1.310 1.00 5.43 H new ATOM 0 HD13 LEU B 69 -2.257 3.255 2.206 1.00 5.43 H new ATOM 0 HD21 LEU B 69 0.746 3.141 1.618 1.00 11.43 H new ATOM 0 HD22 LEU B 69 -0.394 1.777 1.547 1.00 11.43 H new ATOM 0 HD23 LEU B 69 0.610 2.173 0.132 1.00 11.43 H new ATOM 2904 N CYS B 70 -2.506 3.726 -3.548 1.00 2.24 N ATOM 2905 CA CYS B 70 -2.595 4.804 -4.472 1.00 10.02 C ATOM 2906 C CYS B 70 -3.728 5.711 -4.038 1.00 1.35 C ATOM 2907 O CYS B 70 -4.848 5.235 -3.812 1.00 23.02 O ATOM 2908 CB CYS B 70 -2.827 4.262 -5.880 1.00 4.52 C ATOM 2909 SG CYS B 70 -1.514 3.156 -6.460 1.00 51.10 S ATOM 0 H CYS B 70 -3.337 3.136 -3.521 1.00 2.24 H new ATOM 0 HA CYS B 70 -1.666 5.374 -4.487 1.00 10.02 H new ATOM 0 HB2 CYS B 70 -3.777 3.727 -5.902 1.00 4.52 H new ATOM 0 HB3 CYS B 70 -2.917 5.099 -6.572 1.00 4.52 H new ATOM 0 HG CYS B 70 -1.794 2.742 -7.660 1.00 51.10 H new ATOM 2915 N ASP B 71 -3.466 6.995 -3.883 1.00 30.55 N ATOM 2916 CA ASP B 71 -4.500 7.871 -3.420 1.00 55.01 C ATOM 2917 C ASP B 71 -4.891 8.835 -4.485 1.00 14.33 C ATOM 2918 O ASP B 71 -4.056 9.416 -5.145 1.00 32.31 O ATOM 2919 CB ASP B 71 -4.110 8.644 -2.147 1.00 13.12 C ATOM 2920 CG ASP B 71 -3.112 9.745 -2.364 1.00 61.41 C ATOM 2921 OD1 ASP B 71 -3.540 10.879 -2.626 1.00 40.43 O ATOM 2922 OD2 ASP B 71 -1.908 9.524 -2.242 1.00 20.21 O ATOM 0 H ASP B 71 -2.566 7.437 -4.068 1.00 30.55 H new ATOM 0 HA ASP B 71 -5.347 7.232 -3.168 1.00 55.01 H new ATOM 0 HB2 ASP B 71 -5.011 9.070 -1.706 1.00 13.12 H new ATOM 0 HB3 ASP B 71 -3.703 7.940 -1.421 1.00 13.12 H new ATOM 2927 N LYS B 72 -6.147 8.996 -4.655 1.00 60.24 N ATOM 2928 CA LYS B 72 -6.673 9.937 -5.590 1.00 61.10 C ATOM 2929 C LYS B 72 -7.512 10.924 -4.760 1.00 34.03 C ATOM 2930 O LYS B 72 -8.315 11.712 -5.274 1.00 15.12 O ATOM 2931 CB LYS B 72 -7.504 9.150 -6.603 1.00 53.41 C ATOM 2932 CG LYS B 72 -7.825 9.856 -7.907 1.00 52.30 C ATOM 2933 CD LYS B 72 -8.591 8.923 -8.853 1.00 32.45 C ATOM 2934 CE LYS B 72 -7.751 7.689 -9.202 1.00 14.13 C ATOM 2935 NZ LYS B 72 -8.449 6.732 -10.056 1.00 31.24 N ATOM 0 H LYS B 72 -6.858 8.473 -4.144 1.00 60.24 H new ATOM 0 HA LYS B 72 -5.919 10.494 -6.146 1.00 61.10 H new ATOM 0 HB2 LYS B 72 -6.974 8.227 -6.836 1.00 53.41 H new ATOM 0 HB3 LYS B 72 -8.443 8.867 -6.128 1.00 53.41 H new ATOM 0 HG2 LYS B 72 -8.419 10.748 -7.707 1.00 52.30 H new ATOM 0 HG3 LYS B 72 -6.903 10.188 -8.383 1.00 52.30 H new ATOM 0 HD2 LYS B 72 -9.525 8.612 -8.386 1.00 32.45 H new ATOM 0 HD3 LYS B 72 -8.854 9.459 -9.765 1.00 32.45 H new ATOM 0 HE2 LYS B 72 -6.837 8.011 -9.702 1.00 14.13 H new ATOM 0 HE3 LYS B 72 -7.452 7.190 -8.280 1.00 14.13 H new ATOM 0 HZ1 LYS B 72 -8.772 5.927 -9.483 1.00 31.24 H new ATOM 0 HZ2 LYS B 72 -9.269 7.194 -10.497 1.00 31.24 H new ATOM 0 HZ3 LYS B 72 -7.803 6.392 -10.797 1.00 31.24 H new ATOM 2949 N PHE B 73 -7.274 10.829 -3.433 1.00 33.24 N ATOM 2950 CA PHE B 73 -7.860 11.638 -2.365 1.00 22.32 C ATOM 2951 C PHE B 73 -7.911 13.130 -2.696 1.00 54.15 C ATOM 2952 O PHE B 73 -8.879 13.810 -2.355 1.00 71.11 O ATOM 2953 CB PHE B 73 -6.989 11.410 -1.108 1.00 40.02 C ATOM 2954 CG PHE B 73 -7.457 12.064 0.161 1.00 5.03 C ATOM 2955 CD1 PHE B 73 -8.319 11.399 1.002 1.00 32.40 C ATOM 2956 CD2 PHE B 73 -7.013 13.329 0.522 1.00 73.12 C ATOM 2957 CE1 PHE B 73 -8.739 11.967 2.176 1.00 31.12 C ATOM 2958 CE2 PHE B 73 -7.432 13.910 1.699 1.00 31.13 C ATOM 2959 CZ PHE B 73 -8.299 13.227 2.530 1.00 73.50 C ATOM 0 H PHE B 73 -6.622 10.136 -3.065 1.00 33.24 H new ATOM 0 HA PHE B 73 -8.896 11.332 -2.216 1.00 22.32 H new ATOM 0 HB2 PHE B 73 -6.918 10.337 -0.932 1.00 40.02 H new ATOM 0 HB3 PHE B 73 -5.981 11.765 -1.323 1.00 40.02 H new ATOM 0 HD1 PHE B 73 -8.670 10.414 0.733 1.00 32.40 H new ATOM 0 HD2 PHE B 73 -6.333 13.862 -0.126 1.00 73.12 H new ATOM 0 HE1 PHE B 73 -9.414 11.429 2.825 1.00 31.12 H new ATOM 0 HE2 PHE B 73 -7.084 14.896 1.971 1.00 31.13 H new ATOM 0 HZ PHE B 73 -8.632 13.677 3.454 1.00 73.50 H new ATOM 2969 N SER B 74 -6.896 13.623 -3.348 1.00 43.32 N ATOM 2970 CA SER B 74 -6.797 15.023 -3.674 1.00 62.23 C ATOM 2971 C SER B 74 -6.956 15.273 -5.188 1.00 23.44 C ATOM 2972 O SER B 74 -6.525 16.299 -5.706 1.00 33.23 O ATOM 2973 CB SER B 74 -5.455 15.543 -3.179 1.00 75.12 C ATOM 2974 OG SER B 74 -5.329 15.359 -1.769 1.00 30.10 O ATOM 0 H SER B 74 -6.107 13.063 -3.672 1.00 43.32 H new ATOM 0 HA SER B 74 -7.609 15.558 -3.182 1.00 62.23 H new ATOM 0 HB2 SER B 74 -4.646 15.022 -3.692 1.00 75.12 H new ATOM 0 HB3 SER B 74 -5.358 16.601 -3.422 1.00 75.12 H new ATOM 0 HG SER B 74 -4.459 15.698 -1.471 1.00 30.10 H new ATOM 2980 N GLY B 75 -7.584 14.343 -5.886 1.00 41.00 N ATOM 2981 CA GLY B 75 -7.831 14.531 -7.298 1.00 74.35 C ATOM 2982 C GLY B 75 -6.815 13.845 -8.164 1.00 3.24 C ATOM 2983 O GLY B 75 -7.165 13.076 -9.067 1.00 63.41 O ATOM 0 H GLY B 75 -7.927 13.463 -5.502 1.00 41.00 H new ATOM 0 HA2 GLY B 75 -8.824 14.153 -7.542 1.00 74.35 H new ATOM 0 HA3 GLY B 75 -7.832 15.598 -7.523 1.00 74.35 H new ATOM 2987 N HIS B 76 -5.558 14.103 -7.895 1.00 10.00 N ATOM 2988 CA HIS B 76 -4.504 13.498 -8.668 1.00 55.03 C ATOM 2989 C HIS B 76 -4.000 12.261 -7.986 1.00 3.22 C ATOM 2990 O HIS B 76 -3.512 12.322 -6.862 1.00 44.24 O ATOM 2991 CB HIS B 76 -3.369 14.466 -8.995 1.00 20.11 C ATOM 2992 CG HIS B 76 -3.811 15.599 -9.859 1.00 70.14 C ATOM 2993 ND1 HIS B 76 -3.971 15.482 -11.214 1.00 45.30 N ATOM 2994 CD2 HIS B 76 -4.169 16.860 -9.548 1.00 71.12 C ATOM 2995 CE1 HIS B 76 -4.407 16.619 -11.701 1.00 72.14 C ATOM 2996 NE2 HIS B 76 -4.541 17.474 -10.714 1.00 72.43 N ATOM 0 H HIS B 76 -5.242 14.725 -7.150 1.00 10.00 H new ATOM 0 HA HIS B 76 -4.934 13.215 -9.629 1.00 55.03 H new ATOM 0 HB2 HIS B 76 -2.955 14.862 -8.067 1.00 20.11 H new ATOM 0 HB3 HIS B 76 -2.567 13.924 -9.496 1.00 20.11 H new ATOM 0 HD2 HIS B 76 -4.164 17.304 -8.563 1.00 71.12 H new ATOM 0 HE1 HIS B 76 -4.620 16.819 -12.741 1.00 72.14 H new ATOM 0 HE2 HIS B 76 -4.868 18.436 -10.801 1.00 72.43 H new ATOM 3005 N PRO B 77 -4.120 11.127 -8.650 1.00 22.43 N ATOM 3006 CA PRO B 77 -3.770 9.839 -8.075 1.00 3.44 C ATOM 3007 C PRO B 77 -2.264 9.651 -7.881 1.00 24.13 C ATOM 3008 O PRO B 77 -1.486 9.679 -8.837 1.00 12.22 O ATOM 3009 CB PRO B 77 -4.333 8.857 -9.095 1.00 32.42 C ATOM 3010 CG PRO B 77 -4.352 9.589 -10.379 1.00 11.11 C ATOM 3011 CD PRO B 77 -4.601 11.010 -10.039 1.00 53.32 C ATOM 0 HA PRO B 77 -4.171 9.712 -7.069 1.00 3.44 H new ATOM 0 HB2 PRO B 77 -3.713 7.963 -9.162 1.00 32.42 H new ATOM 0 HB3 PRO B 77 -5.334 8.531 -8.814 1.00 32.42 H new ATOM 0 HG2 PRO B 77 -3.405 9.475 -10.907 1.00 11.11 H new ATOM 0 HG3 PRO B 77 -5.132 9.203 -11.036 1.00 11.11 H new ATOM 0 HD2 PRO B 77 -4.062 11.682 -10.707 1.00 53.32 H new ATOM 0 HD3 PRO B 77 -5.659 11.261 -10.119 1.00 53.32 H new ATOM 3019 N LYS B 78 -1.868 9.469 -6.637 1.00 21.32 N ATOM 3020 CA LYS B 78 -0.487 9.285 -6.260 1.00 22.45 C ATOM 3021 C LYS B 78 -0.296 7.895 -5.727 1.00 33.31 C ATOM 3022 O LYS B 78 -1.260 7.219 -5.445 1.00 20.54 O ATOM 3023 CB LYS B 78 -0.120 10.273 -5.153 1.00 3.33 C ATOM 3024 CG LYS B 78 -0.485 11.698 -5.474 1.00 42.42 C ATOM 3025 CD LYS B 78 0.187 12.697 -4.534 1.00 70.14 C ATOM 3026 CE LYS B 78 -0.174 12.487 -3.066 1.00 52.03 C ATOM 3027 NZ LYS B 78 -1.612 12.662 -2.802 1.00 43.04 N ATOM 0 H LYS B 78 -2.513 9.445 -5.847 1.00 21.32 H new ATOM 0 HA LYS B 78 0.143 9.448 -7.134 1.00 22.45 H new ATOM 0 HB2 LYS B 78 -0.621 9.977 -4.232 1.00 3.33 H new ATOM 0 HB3 LYS B 78 0.952 10.214 -4.965 1.00 3.33 H new ATOM 0 HG2 LYS B 78 -0.198 11.921 -6.502 1.00 42.42 H new ATOM 0 HG3 LYS B 78 -1.567 11.816 -5.412 1.00 42.42 H new ATOM 0 HD2 LYS B 78 1.268 12.621 -4.649 1.00 70.14 H new ATOM 0 HD3 LYS B 78 -0.095 13.708 -4.829 1.00 70.14 H new ATOM 0 HE2 LYS B 78 0.127 11.484 -2.762 1.00 52.03 H new ATOM 0 HE3 LYS B 78 0.391 13.189 -2.453 1.00 52.03 H new ATOM 0 HZ1 LYS B 78 -1.775 12.694 -1.775 1.00 43.04 H new ATOM 0 HZ2 LYS B 78 -1.938 13.551 -3.232 1.00 43.04 H new ATOM 0 HZ3 LYS B 78 -2.140 11.865 -3.212 1.00 43.04 H new ATOM 3041 N GLY B 79 0.925 7.473 -5.600 1.00 41.55 N ATOM 3042 CA GLY B 79 1.180 6.188 -5.049 1.00 13.01 C ATOM 3043 C GLY B 79 2.350 6.145 -4.096 1.00 45.43 C ATOM 3044 O GLY B 79 3.334 6.894 -4.238 1.00 20.11 O ATOM 0 H GLY B 79 1.754 8.001 -5.871 1.00 41.55 H new ATOM 0 HA2 GLY B 79 0.287 5.845 -4.526 1.00 13.01 H new ATOM 0 HA3 GLY B 79 1.362 5.486 -5.862 1.00 13.01 H new ATOM 3048 N TYR B 80 2.222 5.294 -3.127 1.00 10.31 N ATOM 3049 CA TYR B 80 3.264 4.981 -2.199 1.00 41.43 C ATOM 3050 C TYR B 80 3.049 3.577 -1.676 1.00 14.41 C ATOM 3051 O TYR B 80 1.914 3.122 -1.564 1.00 72.14 O ATOM 3052 CB TYR B 80 3.472 6.064 -1.093 1.00 61.12 C ATOM 3053 CG TYR B 80 2.264 6.461 -0.253 1.00 12.14 C ATOM 3054 CD1 TYR B 80 1.366 7.434 -0.698 1.00 62.32 C ATOM 3055 CD2 TYR B 80 2.044 5.894 0.988 1.00 44.21 C ATOM 3056 CE1 TYR B 80 0.285 7.817 0.079 1.00 40.11 C ATOM 3057 CE2 TYR B 80 0.967 6.278 1.767 1.00 73.22 C ATOM 3058 CZ TYR B 80 0.091 7.237 1.302 1.00 74.14 C ATOM 3059 OH TYR B 80 -0.987 7.623 2.074 1.00 71.21 O ATOM 0 H TYR B 80 1.358 4.780 -2.954 1.00 10.31 H new ATOM 0 HA TYR B 80 4.219 5.001 -2.723 1.00 41.43 H new ATOM 0 HB2 TYR B 80 4.248 5.707 -0.416 1.00 61.12 H new ATOM 0 HB3 TYR B 80 3.857 6.964 -1.573 1.00 61.12 H new ATOM 0 HD1 TYR B 80 1.517 7.895 -1.663 1.00 62.32 H new ATOM 0 HD2 TYR B 80 2.723 5.139 1.356 1.00 44.21 H new ATOM 0 HE1 TYR B 80 -0.401 8.570 -0.279 1.00 40.11 H new ATOM 0 HE2 TYR B 80 0.812 5.828 2.737 1.00 73.22 H new ATOM 0 HH TYR B 80 -0.986 7.118 2.914 1.00 71.21 H new ATOM 3069 N ALA B 81 4.104 2.883 -1.407 1.00 51.20 N ATOM 3070 CA ALA B 81 4.014 1.490 -1.059 1.00 43.02 C ATOM 3071 C ALA B 81 4.812 1.179 0.178 1.00 54.32 C ATOM 3072 O ALA B 81 5.736 1.885 0.517 1.00 55.55 O ATOM 3073 CB ALA B 81 4.507 0.641 -2.226 1.00 12.31 C ATOM 0 H ALA B 81 5.053 3.256 -1.420 1.00 51.20 H new ATOM 0 HA ALA B 81 2.970 1.257 -0.848 1.00 43.02 H new ATOM 0 HB1 ALA B 81 4.439 -0.414 -1.962 1.00 12.31 H new ATOM 0 HB2 ALA B 81 3.891 0.836 -3.104 1.00 12.31 H new ATOM 0 HB3 ALA B 81 5.544 0.894 -2.447 1.00 12.31 H new ATOM 3079 N TYR B 82 4.420 0.159 0.865 1.00 1.44 N ATOM 3080 CA TYR B 82 5.126 -0.319 2.021 1.00 45.51 C ATOM 3081 C TYR B 82 5.391 -1.792 1.855 1.00 3.33 C ATOM 3082 O TYR B 82 4.469 -2.571 1.675 1.00 62.15 O ATOM 3083 CB TYR B 82 4.324 -0.050 3.281 1.00 61.30 C ATOM 3084 CG TYR B 82 4.155 1.422 3.597 1.00 71.22 C ATOM 3085 CD1 TYR B 82 3.097 2.160 3.092 1.00 74.03 C ATOM 3086 CD2 TYR B 82 5.051 2.060 4.414 1.00 41.20 C ATOM 3087 CE1 TYR B 82 2.953 3.501 3.410 1.00 61.24 C ATOM 3088 CE2 TYR B 82 4.922 3.376 4.741 1.00 3.34 C ATOM 3089 CZ TYR B 82 3.872 4.102 4.239 1.00 34.43 C ATOM 3090 OH TYR B 82 3.749 5.437 4.552 1.00 25.53 O ATOM 0 H TYR B 82 3.584 -0.381 0.640 1.00 1.44 H new ATOM 0 HA TYR B 82 6.076 0.208 2.116 1.00 45.51 H new ATOM 0 HB2 TYR B 82 3.339 -0.505 3.177 1.00 61.30 H new ATOM 0 HB3 TYR B 82 4.814 -0.539 4.123 1.00 61.30 H new ATOM 0 HD1 TYR B 82 2.376 1.685 2.443 1.00 74.03 H new ATOM 0 HD2 TYR B 82 5.886 1.502 4.811 1.00 41.20 H new ATOM 0 HE1 TYR B 82 2.126 4.070 3.010 1.00 61.24 H new ATOM 0 HE2 TYR B 82 5.644 3.846 5.393 1.00 3.34 H new ATOM 0 HH TYR B 82 4.423 5.952 4.061 1.00 25.53 H new ATOM 3100 N ILE B 83 6.633 -2.159 1.880 1.00 12.04 N ATOM 3101 CA ILE B 83 7.047 -3.522 1.620 1.00 42.35 C ATOM 3102 C ILE B 83 7.808 -4.080 2.826 1.00 4.40 C ATOM 3103 O ILE B 83 8.628 -3.391 3.397 1.00 25.44 O ATOM 3104 CB ILE B 83 7.983 -3.517 0.361 1.00 44.12 C ATOM 3105 CG1 ILE B 83 7.215 -3.013 -0.871 1.00 21.11 C ATOM 3106 CG2 ILE B 83 8.637 -4.853 0.088 1.00 4.44 C ATOM 3107 CD1 ILE B 83 8.039 -2.942 -2.141 1.00 53.40 C ATOM 0 H ILE B 83 7.404 -1.523 2.082 1.00 12.04 H new ATOM 0 HA ILE B 83 6.174 -4.149 1.442 1.00 42.35 H new ATOM 0 HB ILE B 83 8.800 -2.830 0.582 1.00 44.12 H new ATOM 0 HG12 ILE B 83 6.361 -3.668 -1.044 1.00 21.11 H new ATOM 0 HG13 ILE B 83 6.818 -2.021 -0.655 1.00 21.11 H new ATOM 0 HG21 ILE B 83 9.269 -4.775 -0.796 1.00 4.44 H new ATOM 0 HG22 ILE B 83 9.246 -5.142 0.945 1.00 4.44 H new ATOM 0 HG23 ILE B 83 7.868 -5.607 -0.081 1.00 4.44 H new ATOM 0 HD11 ILE B 83 7.417 -2.577 -2.958 1.00 53.40 H new ATOM 0 HD12 ILE B 83 8.879 -2.263 -1.992 1.00 53.40 H new ATOM 0 HD13 ILE B 83 8.415 -3.935 -2.387 1.00 53.40 H new ATOM 3119 N GLU B 84 7.517 -5.301 3.215 1.00 13.44 N ATOM 3120 CA GLU B 84 8.266 -5.947 4.270 1.00 10.03 C ATOM 3121 C GLU B 84 9.120 -7.089 3.796 1.00 65.21 C ATOM 3122 O GLU B 84 8.685 -7.925 3.015 1.00 30.31 O ATOM 3123 CB GLU B 84 7.514 -6.239 5.611 1.00 55.13 C ATOM 3124 CG GLU B 84 6.035 -6.595 5.610 1.00 2.23 C ATOM 3125 CD GLU B 84 5.117 -5.506 5.080 1.00 61.03 C ATOM 3126 OE1 GLU B 84 4.922 -4.474 5.775 1.00 52.02 O ATOM 3127 OE2 GLU B 84 4.561 -5.680 4.010 1.00 43.43 O ATOM 0 H GLU B 84 6.767 -5.867 2.817 1.00 13.44 H new ATOM 0 HA GLU B 84 8.950 -5.152 4.569 1.00 10.03 H new ATOM 0 HB2 GLU B 84 8.041 -7.057 6.103 1.00 55.13 H new ATOM 0 HB3 GLU B 84 7.632 -5.359 6.243 1.00 55.13 H new ATOM 0 HG2 GLU B 84 5.893 -7.494 5.010 1.00 2.23 H new ATOM 0 HG3 GLU B 84 5.734 -6.840 6.629 1.00 2.23 H new ATOM 3134 N PHE B 85 10.358 -7.090 4.237 1.00 73.14 N ATOM 3135 CA PHE B 85 11.337 -8.092 3.867 1.00 4.54 C ATOM 3136 C PHE B 85 11.462 -9.171 4.922 1.00 54.54 C ATOM 3137 O PHE B 85 11.021 -9.004 6.058 1.00 23.41 O ATOM 3138 CB PHE B 85 12.707 -7.451 3.668 1.00 51.20 C ATOM 3139 CG PHE B 85 12.798 -6.473 2.542 1.00 34.32 C ATOM 3140 CD1 PHE B 85 12.520 -5.133 2.740 1.00 10.43 C ATOM 3141 CD2 PHE B 85 13.182 -6.893 1.283 1.00 13.11 C ATOM 3142 CE1 PHE B 85 12.620 -4.236 1.701 1.00 41.31 C ATOM 3143 CE2 PHE B 85 13.286 -6.000 0.243 1.00 11.21 C ATOM 3144 CZ PHE B 85 13.004 -4.672 0.454 1.00 23.44 C ATOM 0 H PHE B 85 10.721 -6.382 4.875 1.00 73.14 H new ATOM 0 HA PHE B 85 10.992 -8.544 2.937 1.00 4.54 H new ATOM 0 HB2 PHE B 85 12.990 -6.945 4.591 1.00 51.20 H new ATOM 0 HB3 PHE B 85 13.439 -8.241 3.501 1.00 51.20 H new ATOM 0 HD1 PHE B 85 12.222 -4.787 3.719 1.00 10.43 H new ATOM 0 HD2 PHE B 85 13.403 -7.936 1.114 1.00 13.11 H new ATOM 0 HE1 PHE B 85 12.397 -3.192 1.864 1.00 41.31 H new ATOM 0 HE2 PHE B 85 13.588 -6.341 -0.736 1.00 11.21 H new ATOM 0 HZ PHE B 85 13.084 -3.968 -0.361 1.00 23.44 H new ATOM 3154 N ALA B 86 12.035 -10.292 4.517 1.00 31.20 N ATOM 3155 CA ALA B 86 12.319 -11.403 5.408 1.00 1.14 C ATOM 3156 C ALA B 86 13.254 -11.001 6.550 1.00 51.23 C ATOM 3157 O ALA B 86 13.084 -11.462 7.671 1.00 74.11 O ATOM 3158 CB ALA B 86 12.896 -12.572 4.630 1.00 40.51 C ATOM 0 H ALA B 86 12.319 -10.457 3.551 1.00 31.20 H new ATOM 0 HA ALA B 86 11.375 -11.709 5.858 1.00 1.14 H new ATOM 0 HB1 ALA B 86 13.103 -13.396 5.312 1.00 40.51 H new ATOM 0 HB2 ALA B 86 12.179 -12.897 3.876 1.00 40.51 H new ATOM 0 HB3 ALA B 86 13.821 -12.263 4.142 1.00 40.51 H new ATOM 3164 N GLU B 87 14.238 -10.158 6.263 1.00 23.30 N ATOM 3165 CA GLU B 87 15.143 -9.713 7.309 1.00 55.12 C ATOM 3166 C GLU B 87 15.105 -8.181 7.461 1.00 1.41 C ATOM 3167 O GLU B 87 14.752 -7.458 6.533 1.00 73.23 O ATOM 3168 CB GLU B 87 16.583 -10.190 7.055 1.00 61.52 C ATOM 3169 CG GLU B 87 17.263 -10.788 8.300 1.00 40.43 C ATOM 3170 CD GLU B 87 17.176 -9.875 9.499 1.00 53.21 C ATOM 3171 OE1 GLU B 87 17.960 -8.929 9.586 1.00 13.50 O ATOM 3172 OE2 GLU B 87 16.249 -10.046 10.334 1.00 30.44 O ATOM 0 H GLU B 87 14.426 -9.777 5.336 1.00 23.30 H new ATOM 0 HA GLU B 87 14.801 -10.162 8.241 1.00 55.12 H new ATOM 0 HB2 GLU B 87 16.575 -10.937 6.262 1.00 61.52 H new ATOM 0 HB3 GLU B 87 17.177 -9.350 6.695 1.00 61.52 H new ATOM 0 HG2 GLU B 87 16.798 -11.744 8.540 1.00 40.43 H new ATOM 0 HG3 GLU B 87 18.310 -10.990 8.076 1.00 40.43 H new ATOM 3179 N ARG B 88 15.480 -7.710 8.640 1.00 31.33 N ATOM 3180 CA ARG B 88 15.507 -6.302 8.979 1.00 63.42 C ATOM 3181 C ARG B 88 16.737 -5.689 8.279 1.00 21.23 C ATOM 3182 O ARG B 88 16.723 -4.541 7.842 1.00 41.33 O ATOM 3183 CB ARG B 88 15.616 -6.183 10.522 1.00 41.31 C ATOM 3184 CG ARG B 88 15.052 -4.905 11.159 1.00 13.22 C ATOM 3185 CD ARG B 88 15.720 -3.632 10.695 1.00 53.20 C ATOM 3186 NE ARG B 88 17.137 -3.574 11.047 1.00 42.12 N ATOM 3187 CZ ARG B 88 17.910 -2.512 10.834 1.00 64.11 C ATOM 3188 NH1 ARG B 88 17.385 -1.404 10.305 1.00 74.30 N ATOM 3189 NH2 ARG B 88 19.189 -2.555 11.164 1.00 34.45 N ATOM 0 H ARG B 88 15.781 -8.314 9.405 1.00 31.33 H new ATOM 0 HA ARG B 88 14.609 -5.776 8.655 1.00 63.42 H new ATOM 0 HB2 ARG B 88 15.105 -7.038 10.966 1.00 41.31 H new ATOM 0 HB3 ARG B 88 16.668 -6.263 10.796 1.00 41.31 H new ATOM 0 HG2 ARG B 88 13.986 -4.843 10.939 1.00 13.22 H new ATOM 0 HG3 ARG B 88 15.150 -4.979 12.242 1.00 13.22 H new ATOM 0 HD2 ARG B 88 15.615 -3.546 9.613 1.00 53.20 H new ATOM 0 HD3 ARG B 88 15.206 -2.777 11.134 1.00 53.20 H new ATOM 0 HE ARG B 88 17.558 -4.395 11.481 1.00 42.12 H new ATOM 0 HH11 ARG B 88 16.394 -1.373 10.065 1.00 74.30 H new ATOM 0 HH12 ARG B 88 17.975 -0.588 10.141 1.00 74.30 H new ATOM 0 HH21 ARG B 88 19.580 -3.400 11.580 1.00 34.45 H new ATOM 0 HH22 ARG B 88 19.785 -1.743 11.002 1.00 34.45 H new ATOM 3203 N ASN B 89 17.782 -6.499 8.144 1.00 41.33 N ATOM 3204 CA ASN B 89 19.016 -6.099 7.437 1.00 41.50 C ATOM 3205 C ASN B 89 18.735 -5.831 5.967 1.00 52.30 C ATOM 3206 O ASN B 89 19.469 -5.091 5.304 1.00 35.21 O ATOM 3207 CB ASN B 89 20.108 -7.168 7.574 1.00 61.02 C ATOM 3208 CG ASN B 89 20.740 -7.237 8.961 1.00 30.30 C ATOM 3209 OD1 ASN B 89 21.022 -6.102 9.544 1.00 14.20 O flip ATOM 3210 ND2 ASN B 89 21.050 -8.311 9.463 1.00 14.32 N flip ATOM 0 H ASN B 89 17.808 -7.448 8.516 1.00 41.33 H new ATOM 0 HA ASN B 89 19.374 -5.180 7.901 1.00 41.50 H new ATOM 0 HB2 ASN B 89 19.681 -8.141 7.332 1.00 61.02 H new ATOM 0 HB3 ASN B 89 20.889 -6.971 6.840 1.00 61.02 H new ATOM 0 HD21 ASN B 89 20.818 -9.183 8.987 1.00 14.32 H new ATOM 0 HD22 ASN B 89 21.540 -8.333 10.357 1.00 14.32 H new ATOM 3217 N SER B 90 17.666 -6.407 5.462 1.00 22.23 N ATOM 3218 CA SER B 90 17.269 -6.212 4.107 1.00 33.13 C ATOM 3219 C SER B 90 16.740 -4.788 3.935 1.00 52.44 C ATOM 3220 O SER B 90 16.954 -4.160 2.905 1.00 62.33 O ATOM 3221 CB SER B 90 16.206 -7.229 3.741 1.00 23.01 C ATOM 3222 OG SER B 90 16.645 -8.537 4.062 1.00 72.40 O ATOM 0 H SER B 90 17.052 -7.025 5.992 1.00 22.23 H new ATOM 0 HA SER B 90 18.123 -6.350 3.444 1.00 33.13 H new ATOM 0 HB2 SER B 90 15.282 -7.007 4.275 1.00 23.01 H new ATOM 0 HB3 SER B 90 15.983 -7.164 2.676 1.00 23.01 H new ATOM 0 HG SER B 90 15.949 -9.184 3.822 1.00 72.40 H new ATOM 3228 N VAL B 91 16.052 -4.269 4.976 1.00 31.02 N ATOM 3229 CA VAL B 91 15.517 -2.913 4.912 1.00 43.51 C ATOM 3230 C VAL B 91 16.667 -1.945 4.873 1.00 14.34 C ATOM 3231 O VAL B 91 16.599 -0.946 4.199 1.00 42.50 O ATOM 3232 CB VAL B 91 14.513 -2.527 6.067 1.00 61.41 C ATOM 3233 CG1 VAL B 91 13.576 -3.644 6.400 1.00 65.23 C ATOM 3234 CG2 VAL B 91 15.151 -1.882 7.315 1.00 41.21 C ATOM 0 H VAL B 91 15.863 -4.764 5.847 1.00 31.02 H new ATOM 0 HA VAL B 91 14.917 -2.863 4.004 1.00 43.51 H new ATOM 0 HB VAL B 91 13.916 -1.719 5.644 1.00 61.41 H new ATOM 0 HG11 VAL B 91 12.905 -3.330 7.200 1.00 65.23 H new ATOM 0 HG12 VAL B 91 12.992 -3.904 5.517 1.00 65.23 H new ATOM 0 HG13 VAL B 91 14.147 -4.513 6.726 1.00 65.23 H new ATOM 0 HG21 VAL B 91 14.374 -1.657 8.046 1.00 41.21 H new ATOM 0 HG22 VAL B 91 15.872 -2.572 7.753 1.00 41.21 H new ATOM 0 HG23 VAL B 91 15.659 -0.961 7.029 1.00 41.21 H new ATOM 3244 N ASP B 92 17.737 -2.265 5.621 1.00 64.02 N ATOM 3245 CA ASP B 92 18.958 -1.449 5.651 1.00 71.42 C ATOM 3246 C ASP B 92 19.534 -1.299 4.239 1.00 44.34 C ATOM 3247 O ASP B 92 19.986 -0.224 3.842 1.00 62.32 O ATOM 3248 CB ASP B 92 19.990 -2.106 6.572 1.00 74.23 C ATOM 3249 CG ASP B 92 21.257 -1.278 6.750 1.00 2.30 C ATOM 3250 OD1 ASP B 92 21.269 -0.370 7.622 1.00 5.31 O ATOM 3251 OD2 ASP B 92 22.244 -1.544 6.065 1.00 34.33 O ATOM 0 H ASP B 92 17.778 -3.092 6.217 1.00 64.02 H new ATOM 0 HA ASP B 92 18.714 -0.457 6.032 1.00 71.42 H new ATOM 0 HB2 ASP B 92 19.537 -2.278 7.548 1.00 74.23 H new ATOM 0 HB3 ASP B 92 20.257 -3.083 6.168 1.00 74.23 H new ATOM 3256 N ALA B 93 19.456 -2.379 3.474 1.00 73.42 N ATOM 3257 CA ALA B 93 19.921 -2.391 2.095 1.00 10.55 C ATOM 3258 C ALA B 93 18.939 -1.612 1.200 1.00 72.32 C ATOM 3259 O ALA B 93 19.341 -0.965 0.241 1.00 31.42 O ATOM 3260 CB ALA B 93 20.047 -3.825 1.618 1.00 63.24 C ATOM 0 H ALA B 93 19.070 -3.268 3.791 1.00 73.42 H new ATOM 0 HA ALA B 93 20.897 -1.909 2.037 1.00 10.55 H new ATOM 0 HB1 ALA B 93 20.395 -3.836 0.585 1.00 63.24 H new ATOM 0 HB2 ALA B 93 20.761 -4.356 2.247 1.00 63.24 H new ATOM 0 HB3 ALA B 93 19.075 -4.315 1.678 1.00 63.24 H new ATOM 3266 N ALA B 94 17.665 -1.663 1.539 1.00 25.22 N ATOM 3267 CA ALA B 94 16.638 -0.980 0.761 1.00 30.54 C ATOM 3268 C ALA B 94 16.674 0.529 1.029 1.00 54.31 C ATOM 3269 O ALA B 94 16.577 1.326 0.125 1.00 33.52 O ATOM 3270 CB ALA B 94 15.258 -1.566 1.051 1.00 63.42 C ATOM 0 H ALA B 94 17.311 -2.171 2.350 1.00 25.22 H new ATOM 0 HA ALA B 94 16.845 -1.136 -0.298 1.00 30.54 H new ATOM 0 HB1 ALA B 94 14.508 -1.041 0.459 1.00 63.42 H new ATOM 0 HB2 ALA B 94 15.250 -2.624 0.790 1.00 63.42 H new ATOM 0 HB3 ALA B 94 15.030 -1.452 2.111 1.00 63.42 H new ATOM 3276 N VAL B 95 16.809 0.903 2.286 1.00 74.14 N ATOM 3277 CA VAL B 95 16.934 2.310 2.680 1.00 73.30 C ATOM 3278 C VAL B 95 18.197 2.962 2.114 1.00 32.51 C ATOM 3279 O VAL B 95 18.297 4.177 2.060 1.00 12.13 O ATOM 3280 CB VAL B 95 16.807 2.567 4.206 1.00 73.04 C ATOM 3281 CG1 VAL B 95 15.477 2.053 4.718 1.00 74.03 C ATOM 3282 CG2 VAL B 95 17.956 1.959 4.979 1.00 53.23 C ATOM 0 H VAL B 95 16.836 0.249 3.068 1.00 74.14 H new ATOM 0 HA VAL B 95 16.068 2.794 2.227 1.00 73.30 H new ATOM 0 HB VAL B 95 16.850 3.644 4.365 1.00 73.04 H new ATOM 0 HG11 VAL B 95 15.403 2.240 5.789 1.00 74.03 H new ATOM 0 HG12 VAL B 95 14.666 2.567 4.203 1.00 74.03 H new ATOM 0 HG13 VAL B 95 15.405 0.982 4.531 1.00 74.03 H new ATOM 0 HG21 VAL B 95 17.827 2.162 6.042 1.00 53.23 H new ATOM 0 HG22 VAL B 95 17.975 0.882 4.815 1.00 53.23 H new ATOM 0 HG23 VAL B 95 18.895 2.394 4.637 1.00 53.23 H new ATOM 3292 N ALA B 96 19.183 2.148 1.740 1.00 10.34 N ATOM 3293 CA ALA B 96 20.401 2.644 1.080 1.00 53.13 C ATOM 3294 C ALA B 96 20.065 3.126 -0.350 1.00 15.14 C ATOM 3295 O ALA B 96 20.859 3.793 -1.015 1.00 1.45 O ATOM 3296 CB ALA B 96 21.453 1.548 1.033 1.00 42.34 C ATOM 0 H ALA B 96 19.167 1.138 1.881 1.00 10.34 H new ATOM 0 HA ALA B 96 20.798 3.484 1.651 1.00 53.13 H new ATOM 0 HB1 ALA B 96 22.350 1.926 0.543 1.00 42.34 H new ATOM 0 HB2 ALA B 96 21.698 1.236 2.048 1.00 42.34 H new ATOM 0 HB3 ALA B 96 21.066 0.696 0.475 1.00 42.34 H new ATOM 3302 N MET B 97 18.875 2.779 -0.777 1.00 41.20 N ATOM 3303 CA MET B 97 18.326 3.139 -2.074 1.00 12.31 C ATOM 3304 C MET B 97 17.389 4.324 -1.917 1.00 5.52 C ATOM 3305 O MET B 97 16.659 4.664 -2.856 1.00 20.11 O ATOM 3306 CB MET B 97 17.514 1.969 -2.625 1.00 25.44 C ATOM 3307 CG MET B 97 18.301 0.717 -2.929 1.00 62.41 C ATOM 3308 SD MET B 97 17.252 -0.763 -2.986 1.00 52.32 S ATOM 3309 CE MET B 97 15.881 -0.270 -4.017 1.00 62.34 C ATOM 0 H MET B 97 18.235 2.218 -0.215 1.00 41.20 H new ATOM 0 HA MET B 97 19.145 3.387 -2.749 1.00 12.31 H new ATOM 0 HB2 MET B 97 16.733 1.721 -1.906 1.00 25.44 H new ATOM 0 HB3 MET B 97 17.015 2.294 -3.538 1.00 25.44 H new ATOM 0 HG2 MET B 97 18.811 0.835 -3.885 1.00 62.41 H new ATOM 0 HG3 MET B 97 19.073 0.583 -2.171 1.00 62.41 H new ATOM 0 HE1 MET B 97 15.277 -1.144 -4.262 1.00 62.34 H new ATOM 0 HE2 MET B 97 15.268 0.457 -3.484 1.00 62.34 H new ATOM 0 HE3 MET B 97 16.259 0.178 -4.936 1.00 62.34 H new ATOM 3319 N ASP B 98 17.407 4.932 -0.719 1.00 32.30 N ATOM 3320 CA ASP B 98 16.517 6.052 -0.333 1.00 64.22 C ATOM 3321 C ASP B 98 16.203 7.046 -1.432 1.00 2.54 C ATOM 3322 O ASP B 98 15.063 7.419 -1.556 1.00 74.14 O ATOM 3323 CB ASP B 98 16.997 6.789 0.935 1.00 20.43 C ATOM 3324 CG ASP B 98 18.270 7.585 0.749 1.00 11.11 C ATOM 3325 OD1 ASP B 98 19.358 6.981 0.657 1.00 20.11 O ATOM 3326 OD2 ASP B 98 18.200 8.816 0.708 1.00 40.33 O ATOM 0 H ASP B 98 18.049 4.658 0.024 1.00 32.30 H new ATOM 0 HA ASP B 98 15.576 5.547 -0.113 1.00 64.22 H new ATOM 0 HB2 ASP B 98 16.208 7.462 1.271 1.00 20.43 H new ATOM 0 HB3 ASP B 98 17.152 6.058 1.729 1.00 20.43 H new ATOM 3331 N GLU B 99 17.176 7.503 -2.211 1.00 42.04 N ATOM 3332 CA GLU B 99 16.840 8.382 -3.322 1.00 31.23 C ATOM 3333 C GLU B 99 17.361 7.850 -4.661 1.00 32.54 C ATOM 3334 O GLU B 99 18.032 8.563 -5.423 1.00 53.33 O ATOM 3335 CB GLU B 99 17.294 9.831 -3.066 1.00 74.45 C ATOM 3336 CG GLU B 99 16.696 10.435 -1.801 1.00 71.13 C ATOM 3337 CD GLU B 99 16.922 11.914 -1.674 1.00 75.35 C ATOM 3338 OE1 GLU B 99 18.020 12.340 -1.258 1.00 72.22 O ATOM 3339 OE2 GLU B 99 15.978 12.685 -1.965 1.00 4.25 O ATOM 0 H GLU B 99 18.167 7.290 -2.101 1.00 42.04 H new ATOM 0 HA GLU B 99 15.752 8.395 -3.392 1.00 31.23 H new ATOM 0 HB2 GLU B 99 18.381 9.856 -2.994 1.00 74.45 H new ATOM 0 HB3 GLU B 99 17.017 10.448 -3.921 1.00 74.45 H new ATOM 0 HG2 GLU B 99 15.624 10.237 -1.786 1.00 71.13 H new ATOM 0 HG3 GLU B 99 17.124 9.935 -0.932 1.00 71.13 H new ATOM 3346 N THR B 100 17.085 6.593 -4.922 1.00 31.45 N ATOM 3347 CA THR B 100 17.436 5.978 -6.197 1.00 44.54 C ATOM 3348 C THR B 100 16.418 6.294 -7.296 1.00 64.54 C ATOM 3349 O THR B 100 15.397 6.947 -7.054 1.00 60.25 O ATOM 3350 CB THR B 100 17.639 4.457 -6.074 1.00 72.14 C ATOM 3351 OG1 THR B 100 16.513 3.843 -5.422 1.00 63.44 O ATOM 3352 CG2 THR B 100 18.917 4.147 -5.331 1.00 21.44 C ATOM 0 H THR B 100 16.615 5.967 -4.268 1.00 31.45 H new ATOM 0 HA THR B 100 18.388 6.421 -6.488 1.00 44.54 H new ATOM 0 HB THR B 100 17.718 4.043 -7.079 1.00 72.14 H new ATOM 0 HG1 THR B 100 16.512 4.086 -4.473 1.00 63.44 H new ATOM 0 HG21 THR B 100 19.041 3.067 -5.255 1.00 21.44 H new ATOM 0 HG22 THR B 100 19.764 4.573 -5.870 1.00 21.44 H new ATOM 0 HG23 THR B 100 18.870 4.578 -4.331 1.00 21.44 H new ATOM 3360 N VAL B 101 16.685 5.825 -8.495 1.00 42.43 N ATOM 3361 CA VAL B 101 15.831 6.107 -9.613 1.00 13.41 C ATOM 3362 C VAL B 101 15.053 4.851 -10.013 1.00 13.30 C ATOM 3363 O VAL B 101 15.599 3.736 -10.032 1.00 42.24 O ATOM 3364 CB VAL B 101 16.631 6.698 -10.821 1.00 13.55 C ATOM 3365 CG1 VAL B 101 17.694 5.740 -11.303 1.00 63.21 C ATOM 3366 CG2 VAL B 101 15.711 7.110 -11.961 1.00 62.15 C ATOM 0 H VAL B 101 17.494 5.244 -8.715 1.00 42.43 H new ATOM 0 HA VAL B 101 15.116 6.871 -9.309 1.00 13.41 H new ATOM 0 HB VAL B 101 17.131 7.598 -10.461 1.00 13.55 H new ATOM 0 HG11 VAL B 101 18.230 6.183 -12.142 1.00 63.21 H new ATOM 0 HG12 VAL B 101 18.394 5.536 -10.493 1.00 63.21 H new ATOM 0 HG13 VAL B 101 17.227 4.808 -11.622 1.00 63.21 H new ATOM 0 HG21 VAL B 101 16.305 7.515 -12.780 1.00 62.15 H new ATOM 0 HG22 VAL B 101 15.155 6.241 -12.312 1.00 62.15 H new ATOM 0 HG23 VAL B 101 15.013 7.870 -11.609 1.00 62.15 H new ATOM 3376 N PHE B 102 13.799 5.032 -10.274 1.00 51.01 N ATOM 3377 CA PHE B 102 12.912 3.974 -10.644 1.00 33.34 C ATOM 3378 C PHE B 102 12.022 4.515 -11.754 1.00 62.34 C ATOM 3379 O PHE B 102 11.353 5.511 -11.555 1.00 63.13 O ATOM 3380 CB PHE B 102 12.063 3.634 -9.412 1.00 73.24 C ATOM 3381 CG PHE B 102 11.235 2.390 -9.502 1.00 62.45 C ATOM 3382 CD1 PHE B 102 10.073 2.349 -10.246 1.00 23.34 C ATOM 3383 CD2 PHE B 102 11.625 1.258 -8.823 1.00 13.04 C ATOM 3384 CE1 PHE B 102 9.324 1.201 -10.311 1.00 15.24 C ATOM 3385 CE2 PHE B 102 10.880 0.109 -8.881 1.00 43.11 C ATOM 3386 CZ PHE B 102 9.728 0.076 -9.627 1.00 61.22 C ATOM 0 H PHE B 102 13.349 5.947 -10.235 1.00 51.01 H new ATOM 0 HA PHE B 102 13.440 3.083 -10.983 1.00 33.34 H new ATOM 0 HB2 PHE B 102 12.728 3.542 -8.553 1.00 73.24 H new ATOM 0 HB3 PHE B 102 11.398 4.474 -9.212 1.00 73.24 H new ATOM 0 HD1 PHE B 102 9.750 3.229 -10.782 1.00 23.34 H new ATOM 0 HD2 PHE B 102 12.531 1.275 -8.236 1.00 13.04 H new ATOM 0 HE1 PHE B 102 8.418 1.180 -10.898 1.00 15.24 H new ATOM 0 HE2 PHE B 102 11.199 -0.770 -8.340 1.00 43.11 H new ATOM 0 HZ PHE B 102 9.141 -0.829 -9.677 1.00 61.22 H new ATOM 3396 N ARG B 103 12.043 3.885 -12.920 1.00 33.14 N ATOM 3397 CA ARG B 103 11.242 4.318 -14.097 1.00 61.22 C ATOM 3398 C ARG B 103 11.463 5.788 -14.474 1.00 4.12 C ATOM 3399 O ARG B 103 10.561 6.457 -14.989 1.00 14.43 O ATOM 3400 CB ARG B 103 9.753 4.046 -13.887 1.00 33.54 C ATOM 3401 CG ARG B 103 9.393 2.580 -13.831 1.00 31.05 C ATOM 3402 CD ARG B 103 7.892 2.405 -13.772 1.00 52.45 C ATOM 3403 NE ARG B 103 7.504 0.999 -13.789 1.00 15.00 N ATOM 3404 CZ ARG B 103 6.687 0.436 -14.688 1.00 50.11 C ATOM 3405 NH1 ARG B 103 6.224 1.139 -15.727 1.00 3.13 N ATOM 3406 NH2 ARG B 103 6.360 -0.837 -14.551 1.00 24.54 N ATOM 0 H ARG B 103 12.611 3.056 -13.095 1.00 33.14 H new ATOM 0 HA ARG B 103 11.600 3.718 -14.934 1.00 61.22 H new ATOM 0 HB2 ARG B 103 9.435 4.522 -12.959 1.00 33.54 H new ATOM 0 HB3 ARG B 103 9.192 4.516 -14.695 1.00 33.54 H new ATOM 0 HG2 ARG B 103 9.791 2.068 -14.707 1.00 31.05 H new ATOM 0 HG3 ARG B 103 9.853 2.120 -12.957 1.00 31.05 H new ATOM 0 HD2 ARG B 103 7.508 2.876 -12.867 1.00 52.45 H new ATOM 0 HD3 ARG B 103 7.434 2.918 -14.618 1.00 52.45 H new ATOM 0 HE ARG B 103 7.885 0.397 -13.059 1.00 15.00 H new ATOM 0 HH11 ARG B 103 6.493 2.116 -15.842 1.00 3.13 H new ATOM 0 HH12 ARG B 103 5.602 0.698 -16.405 1.00 3.13 H new ATOM 0 HH21 ARG B 103 6.729 -1.377 -13.768 1.00 24.54 H new ATOM 0 HH22 ARG B 103 5.739 -1.280 -15.228 1.00 24.54 H new ATOM 3420 N GLY B 104 12.672 6.258 -14.262 1.00 1.22 N ATOM 3421 CA GLY B 104 13.024 7.613 -14.640 1.00 12.41 C ATOM 3422 C GLY B 104 12.678 8.651 -13.585 1.00 62.44 C ATOM 3423 O GLY B 104 12.901 9.838 -13.790 1.00 32.01 O ATOM 0 H GLY B 104 13.428 5.726 -13.831 1.00 1.22 H new ATOM 0 HA2 GLY B 104 14.094 7.658 -14.844 1.00 12.41 H new ATOM 0 HA3 GLY B 104 12.512 7.867 -15.568 1.00 12.41 H new ATOM 3427 N ARG B 105 12.141 8.216 -12.464 1.00 42.14 N ATOM 3428 CA ARG B 105 11.802 9.130 -11.382 1.00 52.33 C ATOM 3429 C ARG B 105 12.563 8.726 -10.136 1.00 10.42 C ATOM 3430 O ARG B 105 12.970 7.577 -10.008 1.00 13.33 O ATOM 3431 CB ARG B 105 10.287 9.142 -11.095 1.00 23.23 C ATOM 3432 CG ARG B 105 9.726 7.800 -10.652 1.00 23.32 C ATOM 3433 CD ARG B 105 8.264 7.881 -10.276 1.00 45.51 C ATOM 3434 NE ARG B 105 7.402 8.291 -11.382 1.00 71.44 N ATOM 3435 CZ ARG B 105 6.175 8.780 -11.221 1.00 10.44 C ATOM 3436 NH1 ARG B 105 5.690 8.938 -9.996 1.00 1.01 N ATOM 3437 NH2 ARG B 105 5.446 9.123 -12.275 1.00 52.43 N ATOM 0 H ARG B 105 11.928 7.237 -12.274 1.00 42.14 H new ATOM 0 HA ARG B 105 12.083 10.139 -11.684 1.00 52.33 H new ATOM 0 HB2 ARG B 105 10.081 9.882 -10.322 1.00 23.23 H new ATOM 0 HB3 ARG B 105 9.761 9.464 -11.994 1.00 23.23 H new ATOM 0 HG2 ARG B 105 9.852 7.074 -11.455 1.00 23.32 H new ATOM 0 HG3 ARG B 105 10.298 7.434 -9.799 1.00 23.32 H new ATOM 0 HD2 ARG B 105 7.936 6.908 -9.911 1.00 45.51 H new ATOM 0 HD3 ARG B 105 8.147 8.586 -9.453 1.00 45.51 H new ATOM 0 HE ARG B 105 7.761 8.197 -12.332 1.00 71.44 H new ATOM 0 HH11 ARG B 105 6.257 8.685 -9.187 1.00 1.01 H new ATOM 0 HH12 ARG B 105 4.750 9.312 -9.864 1.00 1.01 H new ATOM 0 HH21 ARG B 105 5.825 9.012 -13.215 1.00 52.43 H new ATOM 0 HH22 ARG B 105 4.506 9.497 -12.145 1.00 52.43 H new ATOM 3451 N THR B 106 12.753 9.633 -9.237 1.00 42.25 N ATOM 3452 CA THR B 106 13.469 9.336 -8.033 1.00 2.23 C ATOM 3453 C THR B 106 12.479 8.893 -6.957 1.00 21.32 C ATOM 3454 O THR B 106 11.562 9.640 -6.612 1.00 2.10 O ATOM 3455 CB THR B 106 14.234 10.591 -7.561 1.00 13.20 C ATOM 3456 OG1 THR B 106 15.082 11.057 -8.635 1.00 50.31 O ATOM 3457 CG2 THR B 106 15.099 10.281 -6.349 1.00 72.40 C ATOM 0 H THR B 106 12.421 10.595 -9.311 1.00 42.25 H new ATOM 0 HA THR B 106 14.185 8.535 -8.219 1.00 2.23 H new ATOM 0 HB THR B 106 13.508 11.355 -7.284 1.00 13.20 H new ATOM 0 HG1 THR B 106 15.570 11.855 -8.344 1.00 50.31 H new ATOM 0 HG21 THR B 106 15.626 11.183 -6.038 1.00 72.40 H new ATOM 0 HG22 THR B 106 14.468 9.930 -5.532 1.00 72.40 H new ATOM 0 HG23 THR B 106 15.823 9.508 -6.607 1.00 72.40 H new ATOM 3465 N ILE B 107 12.634 7.695 -6.450 1.00 74.42 N ATOM 3466 CA ILE B 107 11.745 7.240 -5.400 1.00 20.15 C ATOM 3467 C ILE B 107 12.415 7.323 -4.045 1.00 40.52 C ATOM 3468 O ILE B 107 13.625 7.486 -3.972 1.00 23.44 O ATOM 3469 CB ILE B 107 11.064 5.843 -5.715 1.00 64.14 C ATOM 3470 CG1 ILE B 107 12.069 4.694 -6.025 1.00 64.14 C ATOM 3471 CG2 ILE B 107 10.074 5.985 -6.859 1.00 33.12 C ATOM 3472 CD1 ILE B 107 12.762 4.068 -4.830 1.00 50.25 C ATOM 0 H ILE B 107 13.350 7.027 -6.736 1.00 74.42 H new ATOM 0 HA ILE B 107 10.902 7.929 -5.362 1.00 20.15 H new ATOM 0 HB ILE B 107 10.549 5.555 -4.798 1.00 64.14 H new ATOM 0 HG12 ILE B 107 11.536 3.909 -6.562 1.00 64.14 H new ATOM 0 HG13 ILE B 107 12.833 5.080 -6.700 1.00 64.14 H new ATOM 0 HG21 ILE B 107 9.614 5.018 -7.064 1.00 33.12 H new ATOM 0 HG22 ILE B 107 9.301 6.703 -6.585 1.00 33.12 H new ATOM 0 HG23 ILE B 107 10.595 6.335 -7.750 1.00 33.12 H new ATOM 0 HD11 ILE B 107 13.436 3.282 -5.171 1.00 50.25 H new ATOM 0 HD12 ILE B 107 13.333 4.830 -4.300 1.00 50.25 H new ATOM 0 HD13 ILE B 107 12.016 3.641 -4.159 1.00 50.25 H new ATOM 3484 N LYS B 108 11.633 7.240 -2.984 1.00 42.32 N ATOM 3485 CA LYS B 108 12.129 7.521 -1.648 1.00 41.04 C ATOM 3486 C LYS B 108 11.830 6.330 -0.748 1.00 63.24 C ATOM 3487 O LYS B 108 10.683 5.908 -0.653 1.00 23.41 O ATOM 3488 CB LYS B 108 11.440 8.818 -1.155 1.00 63.44 C ATOM 3489 CG LYS B 108 11.896 9.399 0.134 1.00 42.11 C ATOM 3490 CD LYS B 108 13.359 9.488 0.252 1.00 1.33 C ATOM 3491 CE LYS B 108 13.700 9.914 1.632 1.00 24.25 C ATOM 3492 NZ LYS B 108 13.295 11.304 1.930 1.00 31.25 N ATOM 0 H LYS B 108 10.648 6.979 -3.022 1.00 42.32 H new ATOM 0 HA LYS B 108 13.208 7.673 -1.637 1.00 41.04 H new ATOM 0 HB2 LYS B 108 11.565 9.577 -1.927 1.00 63.44 H new ATOM 0 HB3 LYS B 108 10.371 8.619 -1.073 1.00 63.44 H new ATOM 0 HG2 LYS B 108 11.469 10.396 0.245 1.00 42.11 H new ATOM 0 HG3 LYS B 108 11.509 8.793 0.954 1.00 42.11 H new ATOM 0 HD2 LYS B 108 13.815 8.523 0.031 1.00 1.33 H new ATOM 0 HD3 LYS B 108 13.754 10.201 -0.472 1.00 1.33 H new ATOM 0 HE2 LYS B 108 13.218 9.242 2.342 1.00 24.25 H new ATOM 0 HE3 LYS B 108 14.775 9.816 1.780 1.00 24.25 H new ATOM 0 HZ1 LYS B 108 13.734 11.610 2.822 1.00 31.25 H new ATOM 0 HZ2 LYS B 108 13.606 11.929 1.159 1.00 31.25 H new ATOM 0 HZ3 LYS B 108 12.260 11.353 2.019 1.00 31.25 H new ATOM 3506 N VAL B 109 12.852 5.793 -0.106 1.00 61.11 N ATOM 3507 CA VAL B 109 12.701 4.590 0.711 1.00 2.44 C ATOM 3508 C VAL B 109 13.122 4.880 2.156 1.00 3.53 C ATOM 3509 O VAL B 109 14.178 5.469 2.389 1.00 14.25 O ATOM 3510 CB VAL B 109 13.570 3.414 0.155 1.00 65.34 C ATOM 3511 CG1 VAL B 109 13.281 2.115 0.891 1.00 74.04 C ATOM 3512 CG2 VAL B 109 13.366 3.237 -1.342 1.00 14.53 C ATOM 0 H VAL B 109 13.800 6.168 -0.131 1.00 61.11 H new ATOM 0 HA VAL B 109 11.652 4.297 0.679 1.00 2.44 H new ATOM 0 HB VAL B 109 14.615 3.674 0.327 1.00 65.34 H new ATOM 0 HG11 VAL B 109 13.901 1.318 0.480 1.00 74.04 H new ATOM 0 HG12 VAL B 109 13.505 2.240 1.950 1.00 74.04 H new ATOM 0 HG13 VAL B 109 12.229 1.855 0.771 1.00 74.04 H new ATOM 0 HG21 VAL B 109 13.983 2.412 -1.698 1.00 14.53 H new ATOM 0 HG22 VAL B 109 12.317 3.018 -1.543 1.00 14.53 H new ATOM 0 HG23 VAL B 109 13.651 4.153 -1.859 1.00 14.53 H new ATOM 3522 N LEU B 110 12.288 4.491 3.113 1.00 45.24 N ATOM 3523 CA LEU B 110 12.547 4.689 4.544 1.00 51.45 C ATOM 3524 C LEU B 110 12.129 3.436 5.312 1.00 34.25 C ATOM 3525 O LEU B 110 11.431 2.610 4.766 1.00 63.23 O ATOM 3526 CB LEU B 110 11.695 5.867 5.070 1.00 65.04 C ATOM 3527 CG LEU B 110 12.031 7.255 4.564 1.00 15.54 C ATOM 3528 CD1 LEU B 110 10.956 8.251 5.027 1.00 25.12 C ATOM 3529 CD2 LEU B 110 13.402 7.656 5.098 1.00 40.05 C ATOM 0 H LEU B 110 11.402 4.024 2.921 1.00 45.24 H new ATOM 0 HA LEU B 110 13.608 4.894 4.684 1.00 51.45 H new ATOM 0 HB2 LEU B 110 10.652 5.663 4.826 1.00 65.04 H new ATOM 0 HB3 LEU B 110 11.771 5.878 6.157 1.00 65.04 H new ATOM 0 HG LEU B 110 12.056 7.261 3.474 1.00 15.54 H new ATOM 0 HD11 LEU B 110 11.202 9.248 4.661 1.00 25.12 H new ATOM 0 HD12 LEU B 110 9.986 7.949 4.633 1.00 25.12 H new ATOM 0 HD13 LEU B 110 10.917 8.264 6.116 1.00 25.12 H new ATOM 0 HD21 LEU B 110 13.654 8.654 4.740 1.00 40.05 H new ATOM 0 HD22 LEU B 110 13.382 7.656 6.188 1.00 40.05 H new ATOM 0 HD23 LEU B 110 14.151 6.945 4.749 1.00 40.05 H new ATOM 3541 N PRO B 111 12.575 3.265 6.571 1.00 52.12 N ATOM 3542 CA PRO B 111 12.073 2.193 7.451 1.00 3.23 C ATOM 3543 C PRO B 111 10.656 2.580 7.959 1.00 21.22 C ATOM 3544 O PRO B 111 10.402 3.766 8.241 1.00 0.54 O ATOM 3545 CB PRO B 111 13.092 2.178 8.616 1.00 34.24 C ATOM 3546 CG PRO B 111 14.198 3.116 8.201 1.00 23.54 C ATOM 3547 CD PRO B 111 13.607 4.061 7.228 1.00 33.21 C ATOM 0 HA PRO B 111 11.985 1.221 6.965 1.00 3.23 H new ATOM 0 HB2 PRO B 111 12.628 2.506 9.546 1.00 34.24 H new ATOM 0 HB3 PRO B 111 13.475 1.172 8.788 1.00 34.24 H new ATOM 0 HG2 PRO B 111 14.599 3.648 9.064 1.00 23.54 H new ATOM 0 HG3 PRO B 111 15.025 2.566 7.753 1.00 23.54 H new ATOM 0 HD2 PRO B 111 13.186 4.936 7.722 1.00 33.21 H new ATOM 0 HD3 PRO B 111 14.350 4.423 6.517 1.00 33.21 H new ATOM 3555 N LYS B 112 9.742 1.609 8.081 1.00 22.33 N ATOM 3556 CA LYS B 112 8.339 1.946 8.385 1.00 13.12 C ATOM 3557 C LYS B 112 8.041 2.117 9.911 1.00 2.02 C ATOM 3558 O LYS B 112 7.550 3.147 10.317 1.00 12.04 O ATOM 3559 CB LYS B 112 7.374 0.963 7.710 1.00 20.33 C ATOM 3560 CG LYS B 112 5.909 1.420 7.712 1.00 41.41 C ATOM 3561 CD LYS B 112 4.975 0.395 7.075 1.00 24.45 C ATOM 3562 CE LYS B 112 4.855 -0.857 7.882 1.00 22.33 C ATOM 3563 NZ LYS B 112 4.048 -1.894 7.181 1.00 74.15 N ATOM 0 H LYS B 112 9.936 0.613 7.978 1.00 22.33 H new ATOM 0 HA LYS B 112 8.168 2.934 7.957 1.00 13.12 H new ATOM 0 HB2 LYS B 112 7.693 0.807 6.679 1.00 20.33 H new ATOM 0 HB3 LYS B 112 7.443 -0.001 8.214 1.00 20.33 H new ATOM 0 HG2 LYS B 112 5.592 1.607 8.738 1.00 41.41 H new ATOM 0 HG3 LYS B 112 5.826 2.365 7.175 1.00 41.41 H new ATOM 0 HD2 LYS B 112 3.987 0.838 6.951 1.00 24.45 H new ATOM 0 HD3 LYS B 112 5.341 0.146 6.079 1.00 24.45 H new ATOM 0 HE2 LYS B 112 5.850 -1.251 8.091 1.00 22.33 H new ATOM 0 HE3 LYS B 112 4.395 -0.627 8.843 1.00 22.33 H new ATOM 0 HZ1 LYS B 112 3.551 -2.480 7.882 1.00 74.15 H new ATOM 0 HZ2 LYS B 112 3.353 -1.432 6.560 1.00 74.15 H new ATOM 0 HZ3 LYS B 112 4.676 -2.495 6.610 1.00 74.15 H new