USER MOD reduce.3.24.130724 H: found=0, std=0, add=1307, rem=0, adj=47 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 56 HIS : no HD1:sc= 0.0137 X(o=-0.27,f=-0.57) USER MOD Set 1.2: B 60 CYS SG : rot -110:sc= 0 USER MOD Set 1.3: B 97 MET CE :methyl -145:sc= -0.286 (180deg=-0.657) USER MOD Set 2.1: A 56 HIS : no HD1:sc= 0 X(o=-0.29,f=-0.42) USER MOD Set 2.2: A 60 CYS SG : rot -160:sc= 0 USER MOD Set 2.3: A 97 MET CE :methyl -140:sc= -0.285 (180deg=-0.646) USER MOD Set 3.1: A 46 TYR OH : rot 41:sc= 1.04 USER MOD Set 3.2: A 70 CYS SG : rot -175:sc= 0.377 USER MOD Set 4.1: A 38 SER OG : rot 24:sc= 2.2 USER MOD Set 4.2: A 112 LYS NZ :NH3+ 149:sc= 2.29 (180deg=1.13) USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= 1.23 (180deg=1.18) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.606 USER MOD Single : A 43 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 48 SER OG : rot -81:sc= 0.67 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0144 K(o=-0.014,f=-1) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.01 K(o=-2,f=-6.5!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0.00931!) USER MOD Single : A 74 SER OG : rot 30:sc= 0.386 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 78 LYS NZ :NH3+ -165:sc= -0.0494 (180deg=-0.402) USER MOD Single : A 80 TYR OH : rot 180:sc= 0.219 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.3!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0356 USER MOD Single : A 100 THR OG1 : rot -84:sc= 1.26 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 175:sc= 1.16 (180deg=1.13) USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 SER OG : rot 180:sc= -0.0687 USER MOD Single : B 31 LYS NZ :NH3+ -164:sc= -0.0381 (180deg=-0.253) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 LYS NZ :NH3+ 164:sc= 1.28 (180deg=1.03) USER MOD Single : B 38 SER OG : rot -146:sc= 1.29 USER MOD Single : B 40 TYR OH : rot 180:sc= -0.1 USER MOD Single : B 43 ASN : amide:sc= 0.411 K(o=0.41,f=-4.2!) USER MOD Single : B 46 TYR OH : rot -101:sc= 1.22 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot -73:sc= 1.7 USER MOD Single : B 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 64 ASN : amide:sc= -3.44! C(o=-3.4!,f=-8.7!) USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 CYS SG : rot -159:sc= 0.199 USER MOD Single : B 72 LYS NZ :NH3+ 177:sc= 0.883 (180deg=0.788) 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+ -164:sc= -0.0453 (180deg=-0.342) USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 131:sc= 0.0927 USER MOD Single : B 89 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : B 90 SER OG : rot 170:sc= -0.669 USER MOD Single : B 100 THR OG1 : rot -68:sc= 0.793 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 164:sc= 2.11 (180deg=1.71) USER MOD Single : B 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 468 N GLU A 33 -15.484 10.357 8.529 1.00 34.03 N ATOM 469 CA GLU A 33 -15.890 10.488 7.137 1.00 33.44 C ATOM 470 C GLU A 33 -15.395 9.322 6.276 1.00 31.44 C ATOM 471 O GLU A 33 -16.173 8.712 5.543 1.00 23.35 O ATOM 472 CB GLU A 33 -15.441 11.827 6.545 1.00 63.02 C ATOM 473 CG GLU A 33 -16.254 13.012 7.023 1.00 24.22 C ATOM 474 CD GLU A 33 -17.693 12.917 6.560 1.00 42.32 C ATOM 475 OE1 GLU A 33 -17.994 13.358 5.416 1.00 72.43 O ATOM 476 OE2 GLU A 33 -18.530 12.402 7.299 1.00 42.34 O ATOM 0 HA GLU A 33 -16.980 10.460 7.128 1.00 33.44 H new ATOM 0 HB2 GLU A 33 -14.394 11.992 6.797 1.00 63.02 H new ATOM 0 HB3 GLU A 33 -15.502 11.771 5.458 1.00 63.02 H new ATOM 0 HG2 GLU A 33 -16.223 13.061 8.111 1.00 24.22 H new ATOM 0 HG3 GLU A 33 -15.810 13.935 6.649 1.00 24.22 H new ATOM 483 N ILE A 34 -14.120 9.005 6.385 1.00 52.23 N ATOM 484 CA ILE A 34 -13.511 7.967 5.551 1.00 23.40 C ATOM 485 C ILE A 34 -13.984 6.560 5.912 1.00 14.12 C ATOM 486 O ILE A 34 -14.186 5.731 5.019 1.00 5.21 O ATOM 487 CB ILE A 34 -11.966 8.067 5.492 1.00 55.01 C ATOM 488 CG1 ILE A 34 -11.343 7.968 6.887 1.00 23.14 C ATOM 489 CG2 ILE A 34 -11.551 9.349 4.774 1.00 4.31 C ATOM 490 CD1 ILE A 34 -9.844 8.183 6.920 1.00 24.34 C ATOM 0 H ILE A 34 -13.478 9.448 7.042 1.00 52.23 H new ATOM 0 HA ILE A 34 -13.869 8.161 4.540 1.00 23.40 H new ATOM 0 HB ILE A 34 -11.586 7.220 4.921 1.00 55.01 H new ATOM 0 HG12 ILE A 34 -11.818 8.704 7.536 1.00 23.14 H new ATOM 0 HG13 ILE A 34 -11.566 6.985 7.302 1.00 23.14 H new ATOM 0 HG21 ILE A 34 -10.463 9.410 4.738 1.00 4.31 H new ATOM 0 HG22 ILE A 34 -11.948 9.342 3.759 1.00 4.31 H new ATOM 0 HG23 ILE A 34 -11.945 10.211 5.312 1.00 4.31 H new ATOM 0 HD11 ILE A 34 -9.486 8.095 7.946 1.00 24.34 H new ATOM 0 HD12 ILE A 34 -9.355 7.432 6.300 1.00 24.34 H new ATOM 0 HD13 ILE A 34 -9.610 9.177 6.538 1.00 24.34 H new ATOM 502 N ASP A 35 -14.206 6.306 7.210 1.00 54.21 N ATOM 503 CA ASP A 35 -14.697 5.003 7.686 1.00 71.13 C ATOM 504 C ASP A 35 -15.999 4.633 7.029 1.00 34.51 C ATOM 505 O ASP A 35 -16.210 3.498 6.656 1.00 34.13 O ATOM 506 CB ASP A 35 -14.875 4.979 9.218 1.00 45.32 C ATOM 507 CG ASP A 35 -13.595 4.687 9.988 1.00 21.54 C ATOM 508 OD1 ASP A 35 -12.846 5.612 10.329 1.00 32.45 O ATOM 509 OD2 ASP A 35 -13.352 3.503 10.282 1.00 73.01 O ATOM 0 H ASP A 35 -14.053 6.989 7.952 1.00 54.21 H new ATOM 0 HA ASP A 35 -13.937 4.271 7.412 1.00 71.13 H new ATOM 0 HB2 ASP A 35 -15.270 5.942 9.542 1.00 45.32 H new ATOM 0 HB3 ASP A 35 -15.620 4.226 9.475 1.00 45.32 H new ATOM 514 N LYS A 36 -16.851 5.617 6.852 1.00 21.31 N ATOM 515 CA LYS A 36 -18.169 5.423 6.259 1.00 73.23 C ATOM 516 C LYS A 36 -18.103 4.804 4.868 1.00 54.33 C ATOM 517 O LYS A 36 -18.923 3.966 4.515 1.00 1.43 O ATOM 518 CB LYS A 36 -18.877 6.773 6.116 1.00 32.44 C ATOM 519 CG LYS A 36 -19.190 7.485 7.400 1.00 11.22 C ATOM 520 CD LYS A 36 -19.766 8.861 7.110 1.00 64.44 C ATOM 521 CE LYS A 36 -20.118 9.598 8.384 1.00 72.33 C ATOM 522 NZ LYS A 36 -20.607 10.971 8.111 1.00 41.02 N ATOM 0 H LYS A 36 -16.655 6.583 7.115 1.00 21.31 H new ATOM 0 HA LYS A 36 -18.707 4.748 6.924 1.00 73.23 H new ATOM 0 HB2 LYS A 36 -18.255 7.425 5.503 1.00 32.44 H new ATOM 0 HB3 LYS A 36 -19.809 6.618 5.572 1.00 32.44 H new ATOM 0 HG2 LYS A 36 -19.901 6.901 7.984 1.00 11.22 H new ATOM 0 HG3 LYS A 36 -18.286 7.581 8.001 1.00 11.22 H new ATOM 0 HD2 LYS A 36 -19.044 9.445 6.539 1.00 64.44 H new ATOM 0 HD3 LYS A 36 -20.657 8.760 6.490 1.00 64.44 H new ATOM 0 HE2 LYS A 36 -20.882 9.041 8.926 1.00 72.33 H new ATOM 0 HE3 LYS A 36 -19.241 9.647 9.030 1.00 72.33 H new ATOM 0 HZ1 LYS A 36 -21.331 11.227 8.812 1.00 41.02 H new ATOM 0 HZ2 LYS A 36 -19.814 11.641 8.172 1.00 41.02 H new ATOM 0 HZ3 LYS A 36 -21.020 11.009 7.157 1.00 41.02 H new ATOM 536 N ARG A 37 -17.129 5.182 4.109 1.00 34.30 N ATOM 537 CA ARG A 37 -17.145 4.909 2.693 1.00 43.54 C ATOM 538 C ARG A 37 -16.046 3.941 2.217 1.00 64.25 C ATOM 539 O ARG A 37 -15.798 3.826 1.011 1.00 1.11 O ATOM 540 CB ARG A 37 -17.093 6.266 1.976 1.00 41.02 C ATOM 541 CG ARG A 37 -15.926 7.115 2.438 1.00 33.25 C ATOM 542 CD ARG A 37 -15.996 8.556 1.972 1.00 30.25 C ATOM 543 NE ARG A 37 -17.059 9.302 2.667 1.00 50.01 N ATOM 544 CZ ARG A 37 -16.985 10.598 3.003 1.00 40.14 C ATOM 545 NH1 ARG A 37 -15.956 11.339 2.600 1.00 3.41 N ATOM 546 NH2 ARG A 37 -17.947 11.148 3.733 1.00 51.34 N ATOM 0 H ARG A 37 -16.304 5.684 4.438 1.00 34.30 H new ATOM 0 HA ARG A 37 -18.061 4.373 2.445 1.00 43.54 H new ATOM 0 HB2 ARG A 37 -17.018 6.104 0.901 1.00 41.02 H new ATOM 0 HB3 ARG A 37 -18.024 6.804 2.153 1.00 41.02 H new ATOM 0 HG2 ARG A 37 -15.884 7.097 3.527 1.00 33.25 H new ATOM 0 HG3 ARG A 37 -14.999 6.670 2.076 1.00 33.25 H new ATOM 0 HD2 ARG A 37 -15.036 9.042 2.147 1.00 30.25 H new ATOM 0 HD3 ARG A 37 -16.176 8.583 0.897 1.00 30.25 H new ATOM 0 HE ARG A 37 -17.911 8.797 2.910 1.00 50.01 H new ATOM 0 HH11 ARG A 37 -15.218 10.922 2.032 1.00 3.41 H new ATOM 0 HH12 ARG A 37 -15.905 12.324 2.859 1.00 3.41 H new ATOM 0 HH21 ARG A 37 -18.741 10.585 4.038 1.00 51.34 H new ATOM 0 HH22 ARG A 37 -17.892 12.134 3.990 1.00 51.34 H new ATOM 560 N SER A 38 -15.405 3.233 3.131 1.00 54.44 N ATOM 561 CA SER A 38 -14.375 2.287 2.722 1.00 3.22 C ATOM 562 C SER A 38 -14.818 0.802 2.775 1.00 40.33 C ATOM 563 O SER A 38 -15.746 0.444 3.500 1.00 11.35 O ATOM 564 CB SER A 38 -13.072 2.539 3.477 1.00 1.22 C ATOM 565 OG SER A 38 -13.222 2.490 4.894 1.00 11.52 O ATOM 0 H SER A 38 -15.571 3.290 4.136 1.00 54.44 H new ATOM 0 HA SER A 38 -14.193 2.475 1.664 1.00 3.22 H new ATOM 0 HB2 SER A 38 -12.334 1.798 3.171 1.00 1.22 H new ATOM 0 HB3 SER A 38 -12.679 3.516 3.194 1.00 1.22 H new ATOM 0 HG SER A 38 -14.001 1.941 5.122 1.00 11.52 H new ATOM 571 N VAL A 39 -14.119 -0.053 2.010 1.00 44.04 N ATOM 572 CA VAL A 39 -14.433 -1.488 1.893 1.00 10.32 C ATOM 573 C VAL A 39 -13.190 -2.372 1.854 1.00 32.54 C ATOM 574 O VAL A 39 -12.077 -1.896 1.643 1.00 64.55 O ATOM 575 CB VAL A 39 -15.363 -1.849 0.683 1.00 52.34 C ATOM 576 CG1 VAL A 39 -16.745 -1.344 0.878 1.00 21.15 C ATOM 577 CG2 VAL A 39 -14.824 -1.324 -0.616 1.00 31.41 C ATOM 0 H VAL A 39 -13.315 0.233 1.452 1.00 44.04 H new ATOM 0 HA VAL A 39 -14.987 -1.697 2.808 1.00 10.32 H new ATOM 0 HB VAL A 39 -15.388 -2.938 0.638 1.00 52.34 H new ATOM 0 HG11 VAL A 39 -17.356 -1.615 0.017 1.00 21.15 H new ATOM 0 HG12 VAL A 39 -17.170 -1.786 1.779 1.00 21.15 H new ATOM 0 HG13 VAL A 39 -16.725 -0.259 0.981 1.00 21.15 H new ATOM 0 HG21 VAL A 39 -15.499 -1.597 -1.427 1.00 31.41 H new ATOM 0 HG22 VAL A 39 -14.740 -0.238 -0.563 1.00 31.41 H new ATOM 0 HG23 VAL A 39 -13.840 -1.755 -0.802 1.00 31.41 H new ATOM 587 N TYR A 40 -13.421 -3.642 2.062 1.00 72.22 N ATOM 588 CA TYR A 40 -12.443 -4.706 2.065 1.00 51.25 C ATOM 589 C TYR A 40 -12.711 -5.599 0.894 1.00 10.34 C ATOM 590 O TYR A 40 -13.827 -6.030 0.703 1.00 63.41 O ATOM 591 CB TYR A 40 -12.561 -5.543 3.364 1.00 74.14 C ATOM 592 CG TYR A 40 -11.964 -6.958 3.255 1.00 11.40 C ATOM 593 CD1 TYR A 40 -10.592 -7.184 3.240 1.00 75.23 C ATOM 594 CD2 TYR A 40 -12.807 -8.064 3.131 1.00 24.14 C ATOM 595 CE1 TYR A 40 -10.083 -8.469 3.114 1.00 64.15 C ATOM 596 CE2 TYR A 40 -12.307 -9.337 3.001 1.00 54.30 C ATOM 597 CZ TYR A 40 -10.952 -9.540 2.993 1.00 41.21 C ATOM 598 OH TYR A 40 -10.462 -10.820 2.847 1.00 14.11 O ATOM 0 H TYR A 40 -14.363 -3.987 2.247 1.00 72.22 H new ATOM 0 HA TYR A 40 -11.443 -4.276 2.007 1.00 51.25 H new ATOM 0 HB2 TYR A 40 -12.061 -5.011 4.173 1.00 74.14 H new ATOM 0 HB3 TYR A 40 -13.613 -5.624 3.637 1.00 74.14 H new ATOM 0 HD1 TYR A 40 -9.913 -6.348 3.328 1.00 75.23 H new ATOM 0 HD2 TYR A 40 -13.877 -7.915 3.137 1.00 24.14 H new ATOM 0 HE1 TYR A 40 -9.015 -8.633 3.110 1.00 64.15 H new ATOM 0 HE2 TYR A 40 -12.980 -10.176 2.905 1.00 54.30 H new ATOM 0 HH TYR A 40 -11.209 -11.450 2.777 1.00 14.11 H new ATOM 608 N VAL A 41 -11.718 -5.840 0.122 1.00 42.35 N ATOM 609 CA VAL A 41 -11.781 -6.731 -0.996 1.00 22.43 C ATOM 610 C VAL A 41 -10.756 -7.830 -0.766 1.00 50.53 C ATOM 611 O VAL A 41 -9.556 -7.564 -0.722 1.00 44.42 O ATOM 612 CB VAL A 41 -11.397 -5.975 -2.267 1.00 14.44 C ATOM 613 CG1 VAL A 41 -11.465 -6.878 -3.498 1.00 71.12 C ATOM 614 CG2 VAL A 41 -12.308 -4.781 -2.441 1.00 1.21 C ATOM 0 H VAL A 41 -10.801 -5.411 0.248 1.00 42.35 H new ATOM 0 HA VAL A 41 -12.786 -7.140 -1.100 1.00 22.43 H new ATOM 0 HB VAL A 41 -10.366 -5.635 -2.165 1.00 14.44 H new ATOM 0 HG11 VAL A 41 -11.186 -6.307 -4.384 1.00 71.12 H new ATOM 0 HG12 VAL A 41 -10.778 -7.715 -3.374 1.00 71.12 H new ATOM 0 HG13 VAL A 41 -12.480 -7.257 -3.616 1.00 71.12 H new ATOM 0 HG21 VAL A 41 -12.033 -4.243 -3.348 1.00 1.21 H new ATOM 0 HG22 VAL A 41 -13.341 -5.120 -2.519 1.00 1.21 H new ATOM 0 HG23 VAL A 41 -12.208 -4.118 -1.581 1.00 1.21 H new ATOM 624 N GLY A 42 -11.202 -9.028 -0.593 1.00 72.41 N ATOM 625 CA GLY A 42 -10.291 -10.088 -0.316 1.00 50.42 C ATOM 626 C GLY A 42 -10.145 -11.073 -1.438 1.00 34.33 C ATOM 627 O GLY A 42 -10.952 -11.105 -2.364 1.00 62.34 O ATOM 0 H GLY A 42 -12.185 -9.298 -0.638 1.00 72.41 H new ATOM 0 HA2 GLY A 42 -9.313 -9.663 -0.089 1.00 50.42 H new ATOM 0 HA3 GLY A 42 -10.624 -10.616 0.577 1.00 50.42 H new ATOM 631 N ASN A 43 -9.132 -11.901 -1.288 1.00 15.13 N ATOM 632 CA ASN A 43 -8.730 -12.949 -2.228 1.00 53.34 C ATOM 633 C ASN A 43 -8.336 -12.449 -3.630 1.00 72.35 C ATOM 634 O ASN A 43 -9.051 -12.632 -4.614 1.00 43.32 O ATOM 635 CB ASN A 43 -9.711 -14.149 -2.250 1.00 65.04 C ATOM 636 CG ASN A 43 -9.233 -15.311 -3.116 1.00 4.34 C ATOM 637 OD1 ASN A 43 -8.473 -16.171 -2.658 1.00 13.42 O ATOM 638 ND2 ASN A 43 -9.697 -15.378 -4.334 1.00 41.05 N ATOM 0 H ASN A 43 -8.529 -11.866 -0.466 1.00 15.13 H new ATOM 0 HA ASN A 43 -7.794 -13.332 -1.822 1.00 53.34 H new ATOM 0 HB2 ASN A 43 -9.861 -14.504 -1.230 1.00 65.04 H new ATOM 0 HB3 ASN A 43 -10.680 -13.809 -2.615 1.00 65.04 H new ATOM 0 HD21 ASN A 43 -9.434 -16.157 -4.938 1.00 41.05 H new ATOM 0 HD22 ASN A 43 -10.323 -14.652 -4.682 1.00 41.05 H new ATOM 645 N VAL A 44 -7.243 -11.733 -3.665 1.00 11.14 N ATOM 646 CA VAL A 44 -6.626 -11.341 -4.914 1.00 2.02 C ATOM 647 C VAL A 44 -5.199 -11.887 -4.979 1.00 12.21 C ATOM 648 O VAL A 44 -4.473 -11.861 -4.002 1.00 20.05 O ATOM 649 CB VAL A 44 -6.685 -9.785 -5.169 1.00 54.01 C ATOM 650 CG1 VAL A 44 -5.940 -8.988 -4.118 1.00 43.50 C ATOM 651 CG2 VAL A 44 -6.199 -9.429 -6.569 1.00 55.40 C ATOM 0 H VAL A 44 -6.753 -11.404 -2.833 1.00 11.14 H new ATOM 0 HA VAL A 44 -7.204 -11.782 -5.726 1.00 2.02 H new ATOM 0 HB VAL A 44 -7.735 -9.505 -5.091 1.00 54.01 H new ATOM 0 HG11 VAL A 44 -6.016 -7.925 -4.346 1.00 43.50 H new ATOM 0 HG12 VAL A 44 -6.376 -9.181 -3.138 1.00 43.50 H new ATOM 0 HG13 VAL A 44 -4.891 -9.284 -4.113 1.00 43.50 H new ATOM 0 HG21 VAL A 44 -6.254 -8.349 -6.710 1.00 55.40 H new ATOM 0 HG22 VAL A 44 -5.167 -9.759 -6.691 1.00 55.40 H new ATOM 0 HG23 VAL A 44 -6.828 -9.923 -7.309 1.00 55.40 H new ATOM 661 N ASP A 45 -4.842 -12.437 -6.106 1.00 31.31 N ATOM 662 CA ASP A 45 -3.504 -12.973 -6.329 1.00 33.12 C ATOM 663 C ASP A 45 -2.854 -12.105 -7.358 1.00 74.24 C ATOM 664 O ASP A 45 -3.550 -11.293 -7.994 1.00 74.24 O ATOM 665 CB ASP A 45 -3.545 -14.415 -6.883 1.00 55.24 C ATOM 666 CG ASP A 45 -4.189 -15.445 -5.973 1.00 40.10 C ATOM 667 OD1 ASP A 45 -5.435 -15.606 -6.035 1.00 32.50 O ATOM 668 OD2 ASP A 45 -3.458 -16.160 -5.242 1.00 63.42 O ATOM 0 H ASP A 45 -5.465 -12.532 -6.908 1.00 31.31 H new ATOM 0 HA ASP A 45 -2.965 -12.989 -5.382 1.00 33.12 H new ATOM 0 HB2 ASP A 45 -4.083 -14.406 -7.831 1.00 55.24 H new ATOM 0 HB3 ASP A 45 -2.525 -14.733 -7.098 1.00 55.24 H new ATOM 673 N TYR A 46 -1.549 -12.228 -7.539 1.00 71.44 N ATOM 674 CA TYR A 46 -0.860 -11.483 -8.569 1.00 54.12 C ATOM 675 C TYR A 46 -1.373 -11.782 -9.958 1.00 60.15 C ATOM 676 O TYR A 46 -1.081 -12.825 -10.556 1.00 62.53 O ATOM 677 CB TYR A 46 0.651 -11.646 -8.475 1.00 71.43 C ATOM 678 CG TYR A 46 1.267 -10.802 -7.417 1.00 75.14 C ATOM 679 CD1 TYR A 46 1.398 -11.240 -6.119 1.00 24.32 C ATOM 680 CD2 TYR A 46 1.720 -9.543 -7.734 1.00 44.14 C ATOM 681 CE1 TYR A 46 1.968 -10.430 -5.161 1.00 13.30 C ATOM 682 CE2 TYR A 46 2.283 -8.737 -6.794 1.00 64.24 C ATOM 683 CZ TYR A 46 2.406 -9.175 -5.512 1.00 21.23 C ATOM 684 OH TYR A 46 2.969 -8.356 -4.580 1.00 13.33 O ATOM 0 H TYR A 46 -0.949 -12.838 -6.984 1.00 71.44 H new ATOM 0 HA TYR A 46 -1.086 -10.433 -8.383 1.00 54.12 H new ATOM 0 HB2 TYR A 46 0.885 -12.692 -8.278 1.00 71.43 H new ATOM 0 HB3 TYR A 46 1.098 -11.395 -9.437 1.00 71.43 H new ATOM 0 HD1 TYR A 46 1.051 -12.227 -5.849 1.00 24.32 H new ATOM 0 HD2 TYR A 46 1.627 -9.187 -8.749 1.00 44.14 H new ATOM 0 HE1 TYR A 46 2.070 -10.778 -4.144 1.00 13.30 H new ATOM 0 HE2 TYR A 46 2.632 -7.751 -7.065 1.00 64.24 H new ATOM 0 HH TYR A 46 3.558 -8.880 -3.997 1.00 13.33 H new ATOM 694 N GLY A 47 -2.130 -10.855 -10.436 1.00 75.25 N ATOM 695 CA GLY A 47 -2.756 -10.908 -11.709 1.00 14.11 C ATOM 696 C GLY A 47 -3.522 -9.645 -11.874 1.00 63.33 C ATOM 697 O GLY A 47 -3.473 -8.988 -12.917 1.00 3.15 O ATOM 0 H GLY A 47 -2.338 -9.998 -9.923 1.00 75.25 H new ATOM 0 HA2 GLY A 47 -2.013 -11.013 -12.499 1.00 14.11 H new ATOM 0 HA3 GLY A 47 -3.418 -11.771 -11.777 1.00 14.11 H new ATOM 701 N SER A 48 -4.216 -9.276 -10.826 1.00 55.33 N ATOM 702 CA SER A 48 -4.904 -8.036 -10.805 1.00 13.22 C ATOM 703 C SER A 48 -4.032 -6.983 -10.161 1.00 40.32 C ATOM 704 O SER A 48 -3.181 -7.289 -9.316 1.00 4.40 O ATOM 705 CB SER A 48 -6.244 -8.162 -10.097 1.00 3.01 C ATOM 706 OG SER A 48 -7.107 -9.000 -10.839 1.00 22.25 O ATOM 0 H SER A 48 -4.312 -9.831 -9.976 1.00 55.33 H new ATOM 0 HA SER A 48 -5.116 -7.732 -11.830 1.00 13.22 H new ATOM 0 HB2 SER A 48 -6.099 -8.570 -9.097 1.00 3.01 H new ATOM 0 HB3 SER A 48 -6.695 -7.177 -9.977 1.00 3.01 H new ATOM 0 HG SER A 48 -7.509 -8.489 -11.572 1.00 22.25 H new ATOM 712 N THR A 49 -4.220 -5.779 -10.575 1.00 23.42 N ATOM 713 CA THR A 49 -3.465 -4.671 -10.102 1.00 1.42 C ATOM 714 C THR A 49 -4.410 -3.623 -9.571 1.00 23.21 C ATOM 715 O THR A 49 -5.628 -3.812 -9.636 1.00 44.22 O ATOM 716 CB THR A 49 -2.596 -4.096 -11.228 1.00 44.45 C ATOM 717 OG1 THR A 49 -3.412 -3.837 -12.387 1.00 30.21 O ATOM 718 CG2 THR A 49 -1.470 -5.054 -11.592 1.00 50.15 C ATOM 0 H THR A 49 -4.923 -5.530 -11.271 1.00 23.42 H new ATOM 0 HA THR A 49 -2.802 -4.997 -9.301 1.00 1.42 H new ATOM 0 HB THR A 49 -2.152 -3.164 -10.878 1.00 44.45 H new ATOM 0 HG1 THR A 49 -2.855 -3.468 -13.104 1.00 30.21 H new ATOM 0 HG21 THR A 49 -0.869 -4.622 -12.392 1.00 50.15 H new ATOM 0 HG22 THR A 49 -0.841 -5.225 -10.718 1.00 50.15 H new ATOM 0 HG23 THR A 49 -1.892 -6.002 -11.926 1.00 50.15 H new ATOM 726 N ALA A 50 -3.879 -2.523 -9.072 1.00 50.43 N ATOM 727 CA ALA A 50 -4.689 -1.464 -8.495 1.00 60.54 C ATOM 728 C ALA A 50 -5.635 -0.896 -9.557 1.00 61.24 C ATOM 729 O ALA A 50 -6.823 -0.703 -9.310 1.00 31.45 O ATOM 730 CB ALA A 50 -3.752 -0.387 -7.978 1.00 50.41 C ATOM 0 H ALA A 50 -2.876 -2.337 -9.055 1.00 50.43 H new ATOM 0 HA ALA A 50 -5.297 -1.848 -7.676 1.00 60.54 H new ATOM 0 HB1 ALA A 50 -4.335 0.422 -7.539 1.00 50.41 H new ATOM 0 HB2 ALA A 50 -3.092 -0.811 -7.221 1.00 50.41 H new ATOM 0 HB3 ALA A 50 -3.155 0.002 -8.803 1.00 50.41 H new ATOM 736 N GLN A 51 -5.094 -0.653 -10.726 1.00 60.31 N ATOM 737 CA GLN A 51 -5.845 -0.139 -11.861 1.00 72.03 C ATOM 738 C GLN A 51 -7.015 -1.086 -12.243 1.00 3.05 C ATOM 739 O GLN A 51 -8.120 -0.635 -12.595 1.00 53.23 O ATOM 740 CB GLN A 51 -4.885 -0.030 -13.021 1.00 13.03 C ATOM 741 CG GLN A 51 -5.405 0.731 -14.191 1.00 42.33 C ATOM 742 CD GLN A 51 -4.457 0.699 -15.342 1.00 44.12 C ATOM 743 OE1 GLN A 51 -3.746 -0.274 -15.548 1.00 3.35 O ATOM 744 NE2 GLN A 51 -4.392 1.763 -16.057 1.00 71.33 N ATOM 0 H GLN A 51 -4.106 -0.807 -10.925 1.00 60.31 H new ATOM 0 HA GLN A 51 -6.278 0.828 -11.607 1.00 72.03 H new ATOM 0 HB2 GLN A 51 -3.969 0.447 -12.673 1.00 13.03 H new ATOM 0 HB3 GLN A 51 -4.617 -1.034 -13.348 1.00 13.03 H new ATOM 0 HG2 GLN A 51 -6.364 0.313 -14.499 1.00 42.33 H new ATOM 0 HG3 GLN A 51 -5.587 1.765 -13.899 1.00 42.33 H new ATOM 0 HE21 GLN A 51 -5.003 2.553 -15.852 1.00 71.33 H new ATOM 0 HE22 GLN A 51 -3.729 1.818 -16.830 1.00 71.33 H new ATOM 753 N ASP A 52 -6.750 -2.377 -12.168 1.00 15.52 N ATOM 754 CA ASP A 52 -7.736 -3.424 -12.490 1.00 51.45 C ATOM 755 C ASP A 52 -8.854 -3.399 -11.442 1.00 53.35 C ATOM 756 O ASP A 52 -10.059 -3.545 -11.760 1.00 60.23 O ATOM 757 CB ASP A 52 -7.026 -4.781 -12.480 1.00 52.42 C ATOM 758 CG ASP A 52 -7.782 -5.881 -13.181 1.00 3.42 C ATOM 759 OD1 ASP A 52 -8.311 -5.647 -14.297 1.00 64.11 O ATOM 760 OD2 ASP A 52 -7.842 -6.991 -12.646 1.00 52.34 O ATOM 0 H ASP A 52 -5.842 -2.744 -11.881 1.00 15.52 H new ATOM 0 HA ASP A 52 -8.172 -3.252 -13.474 1.00 51.45 H new ATOM 0 HB2 ASP A 52 -6.049 -4.670 -12.951 1.00 52.42 H new ATOM 0 HB3 ASP A 52 -6.850 -5.078 -11.446 1.00 52.42 H new ATOM 765 N LEU A 53 -8.445 -3.154 -10.206 1.00 20.24 N ATOM 766 CA LEU A 53 -9.339 -3.057 -9.066 1.00 24.43 C ATOM 767 C LEU A 53 -10.242 -1.865 -9.177 1.00 40.21 C ATOM 768 O LEU A 53 -11.463 -1.988 -8.958 1.00 45.14 O ATOM 769 CB LEU A 53 -8.544 -3.020 -7.761 1.00 63.52 C ATOM 770 CG LEU A 53 -7.979 -4.350 -7.313 1.00 63.35 C ATOM 771 CD1 LEU A 53 -6.971 -4.141 -6.198 1.00 4.52 C ATOM 772 CD2 LEU A 53 -9.141 -5.197 -6.792 1.00 21.24 C ATOM 0 H LEU A 53 -7.464 -3.015 -9.965 1.00 20.24 H new ATOM 0 HA LEU A 53 -9.970 -3.946 -9.060 1.00 24.43 H new ATOM 0 HB2 LEU A 53 -7.722 -2.314 -7.875 1.00 63.52 H new ATOM 0 HB3 LEU A 53 -9.189 -2.633 -6.972 1.00 63.52 H new ATOM 0 HG LEU A 53 -7.478 -4.845 -8.145 1.00 63.35 H new ATOM 0 HD11 LEU A 53 -6.571 -5.105 -5.884 1.00 4.52 H new ATOM 0 HD12 LEU A 53 -6.158 -3.510 -6.556 1.00 4.52 H new ATOM 0 HD13 LEU A 53 -7.459 -3.657 -5.352 1.00 4.52 H new ATOM 0 HD21 LEU A 53 -8.766 -6.165 -6.460 1.00 21.24 H new ATOM 0 HD22 LEU A 53 -9.617 -4.686 -5.955 1.00 21.24 H new ATOM 0 HD23 LEU A 53 -9.870 -5.344 -7.589 1.00 21.24 H new ATOM 784 N GLU A 54 -9.673 -0.708 -9.526 1.00 73.14 N ATOM 785 CA GLU A 54 -10.477 0.470 -9.692 1.00 1.13 C ATOM 786 C GLU A 54 -11.545 0.306 -10.717 1.00 63.31 C ATOM 787 O GLU A 54 -12.657 0.619 -10.442 1.00 22.33 O ATOM 788 CB GLU A 54 -9.681 1.714 -10.015 1.00 55.21 C ATOM 789 CG GLU A 54 -8.831 2.253 -8.901 1.00 11.22 C ATOM 790 CD GLU A 54 -8.385 3.637 -9.232 1.00 63.00 C ATOM 791 OE1 GLU A 54 -9.249 4.480 -9.547 1.00 62.34 O ATOM 792 OE2 GLU A 54 -7.183 3.909 -9.259 1.00 43.30 O ATOM 0 H GLU A 54 -8.675 -0.578 -9.693 1.00 73.14 H new ATOM 0 HA GLU A 54 -10.937 0.604 -8.713 1.00 1.13 H new ATOM 0 HB2 GLU A 54 -9.036 1.499 -10.867 1.00 55.21 H new ATOM 0 HB3 GLU A 54 -10.374 2.495 -10.328 1.00 55.21 H new ATOM 0 HG2 GLU A 54 -9.396 2.256 -7.969 1.00 11.22 H new ATOM 0 HG3 GLU A 54 -7.965 1.609 -8.747 1.00 11.22 H new ATOM 799 N ALA A 55 -11.213 -0.220 -11.876 1.00 61.43 N ATOM 800 CA ALA A 55 -12.203 -0.356 -12.952 1.00 40.43 C ATOM 801 C ALA A 55 -13.446 -1.134 -12.491 1.00 33.51 C ATOM 802 O ALA A 55 -14.611 -0.668 -12.669 1.00 75.20 O ATOM 803 CB ALA A 55 -11.575 -1.038 -14.154 1.00 34.44 C ATOM 0 H ALA A 55 -10.280 -0.560 -12.108 1.00 61.43 H new ATOM 0 HA ALA A 55 -12.527 0.646 -13.232 1.00 40.43 H new ATOM 0 HB1 ALA A 55 -12.317 -1.134 -14.947 1.00 34.44 H new ATOM 0 HB2 ALA A 55 -10.736 -0.442 -14.513 1.00 34.44 H new ATOM 0 HB3 ALA A 55 -11.221 -2.028 -13.867 1.00 34.44 H new ATOM 809 N HIS A 56 -13.215 -2.261 -11.836 1.00 22.12 N ATOM 810 CA HIS A 56 -14.318 -3.114 -11.413 1.00 63.24 C ATOM 811 C HIS A 56 -15.172 -2.408 -10.347 1.00 12.31 C ATOM 812 O HIS A 56 -16.388 -2.509 -10.356 1.00 33.21 O ATOM 813 CB HIS A 56 -13.810 -4.479 -10.906 1.00 35.44 C ATOM 814 CG HIS A 56 -14.902 -5.506 -10.680 1.00 23.10 C ATOM 815 ND1 HIS A 56 -15.247 -6.449 -11.620 1.00 53.34 N ATOM 816 CD2 HIS A 56 -15.707 -5.742 -9.613 1.00 65.41 C ATOM 817 CE1 HIS A 56 -16.212 -7.215 -11.151 1.00 65.40 C ATOM 818 NE2 HIS A 56 -16.514 -6.811 -9.934 1.00 30.12 N ATOM 0 H HIS A 56 -12.287 -2.604 -11.588 1.00 22.12 H new ATOM 0 HA HIS A 56 -14.948 -3.303 -12.282 1.00 63.24 H new ATOM 0 HB2 HIS A 56 -13.096 -4.878 -11.626 1.00 35.44 H new ATOM 0 HB3 HIS A 56 -13.270 -4.328 -9.971 1.00 35.44 H new ATOM 0 HD2 HIS A 56 -15.714 -5.193 -8.683 1.00 65.41 H new ATOM 0 HE1 HIS A 56 -16.677 -8.036 -11.676 1.00 65.40 H new ATOM 0 HE2 HIS A 56 -17.226 -7.221 -9.330 1.00 30.12 H new ATOM 827 N PHE A 57 -14.528 -1.693 -9.442 1.00 72.02 N ATOM 828 CA PHE A 57 -15.235 -0.970 -8.390 1.00 31.13 C ATOM 829 C PHE A 57 -15.778 0.379 -8.829 1.00 5.52 C ATOM 830 O PHE A 57 -16.725 0.892 -8.254 1.00 74.14 O ATOM 831 CB PHE A 57 -14.426 -0.882 -7.108 1.00 21.23 C ATOM 832 CG PHE A 57 -14.423 -2.170 -6.355 1.00 42.04 C ATOM 833 CD1 PHE A 57 -15.502 -2.495 -5.574 1.00 41.53 C ATOM 834 CD2 PHE A 57 -13.373 -3.053 -6.435 1.00 54.04 C ATOM 835 CE1 PHE A 57 -15.544 -3.680 -4.876 1.00 32.55 C ATOM 836 CE2 PHE A 57 -13.407 -4.246 -5.738 1.00 74.52 C ATOM 837 CZ PHE A 57 -14.496 -4.553 -4.960 1.00 3.45 C ATOM 0 H PHE A 57 -13.513 -1.595 -9.411 1.00 72.02 H new ATOM 0 HA PHE A 57 -16.116 -1.572 -8.169 1.00 31.13 H new ATOM 0 HB2 PHE A 57 -13.400 -0.600 -7.346 1.00 21.23 H new ATOM 0 HB3 PHE A 57 -14.835 -0.094 -6.475 1.00 21.23 H new ATOM 0 HD1 PHE A 57 -16.333 -1.809 -5.505 1.00 41.53 H new ATOM 0 HD2 PHE A 57 -12.516 -2.813 -7.046 1.00 54.04 H new ATOM 0 HE1 PHE A 57 -16.401 -3.919 -4.264 1.00 32.55 H new ATOM 0 HE2 PHE A 57 -12.578 -4.936 -5.805 1.00 74.52 H new ATOM 0 HZ PHE A 57 -14.524 -5.485 -4.414 1.00 3.45 H new ATOM 847 N SER A 58 -15.190 0.921 -9.864 1.00 71.41 N ATOM 848 CA SER A 58 -15.529 2.234 -10.377 1.00 55.54 C ATOM 849 C SER A 58 -16.919 2.209 -10.957 1.00 74.14 C ATOM 850 O SER A 58 -17.633 3.210 -10.929 1.00 53.41 O ATOM 851 CB SER A 58 -14.514 2.674 -11.440 1.00 54.54 C ATOM 852 OG SER A 58 -14.767 3.988 -11.924 1.00 52.32 O ATOM 0 H SER A 58 -14.447 0.458 -10.388 1.00 71.41 H new ATOM 0 HA SER A 58 -15.498 2.953 -9.558 1.00 55.54 H new ATOM 0 HB2 SER A 58 -13.510 2.633 -11.018 1.00 54.54 H new ATOM 0 HB3 SER A 58 -14.538 1.972 -12.274 1.00 54.54 H new ATOM 0 HG SER A 58 -14.095 4.224 -12.597 1.00 52.32 H new ATOM 858 N SER A 59 -17.320 1.064 -11.485 1.00 20.31 N ATOM 859 CA SER A 59 -18.672 0.922 -11.982 1.00 13.34 C ATOM 860 C SER A 59 -19.716 1.112 -10.832 1.00 32.13 C ATOM 861 O SER A 59 -20.885 1.439 -11.078 1.00 22.14 O ATOM 862 CB SER A 59 -18.812 -0.434 -12.663 1.00 73.21 C ATOM 863 OG SER A 59 -17.837 -0.554 -13.707 1.00 63.10 O ATOM 0 H SER A 59 -16.736 0.233 -11.578 1.00 20.31 H new ATOM 0 HA SER A 59 -18.876 1.701 -12.716 1.00 13.34 H new ATOM 0 HB2 SER A 59 -18.678 -1.233 -11.934 1.00 73.21 H new ATOM 0 HB3 SER A 59 -19.815 -0.543 -13.075 1.00 73.21 H new ATOM 0 HG SER A 59 -17.929 -1.428 -14.141 1.00 63.10 H new ATOM 869 N CYS A 60 -19.273 0.933 -9.587 1.00 24.23 N ATOM 870 CA CYS A 60 -20.124 1.114 -8.420 1.00 21.30 C ATOM 871 C CYS A 60 -19.971 2.516 -7.781 1.00 64.45 C ATOM 872 O CYS A 60 -20.590 2.794 -6.750 1.00 21.45 O ATOM 873 CB CYS A 60 -19.804 0.037 -7.388 1.00 14.22 C ATOM 874 SG CYS A 60 -20.036 -1.641 -8.000 1.00 71.34 S ATOM 0 H CYS A 60 -18.316 0.659 -9.364 1.00 24.23 H new ATOM 0 HA CYS A 60 -21.158 1.027 -8.753 1.00 21.30 H new ATOM 0 HB2 CYS A 60 -18.771 0.155 -7.060 1.00 14.22 H new ATOM 0 HB3 CYS A 60 -20.436 0.186 -6.512 1.00 14.22 H new ATOM 0 HG CYS A 60 -20.159 -2.456 -6.995 1.00 71.34 H new ATOM 880 N GLY A 61 -19.198 3.395 -8.393 1.00 32.32 N ATOM 881 CA GLY A 61 -19.014 4.709 -7.803 1.00 53.23 C ATOM 882 C GLY A 61 -17.644 5.293 -8.007 1.00 1.41 C ATOM 883 O GLY A 61 -16.818 4.739 -8.733 1.00 1.03 O ATOM 0 H GLY A 61 -18.702 3.232 -9.269 1.00 32.32 H new ATOM 0 HA2 GLY A 61 -19.753 5.390 -8.225 1.00 53.23 H new ATOM 0 HA3 GLY A 61 -19.213 4.645 -6.733 1.00 53.23 H new ATOM 887 N SER A 62 -17.393 6.399 -7.353 1.00 60.50 N ATOM 888 CA SER A 62 -16.157 7.105 -7.491 1.00 15.44 C ATOM 889 C SER A 62 -15.180 6.693 -6.400 1.00 65.51 C ATOM 890 O SER A 62 -15.445 6.867 -5.195 1.00 43.41 O ATOM 891 CB SER A 62 -16.419 8.606 -7.445 1.00 64.51 C ATOM 892 OG SER A 62 -17.344 8.984 -8.463 1.00 11.22 O ATOM 0 H SER A 62 -18.051 6.834 -6.706 1.00 60.50 H new ATOM 0 HA SER A 62 -15.708 6.854 -8.452 1.00 15.44 H new ATOM 0 HB2 SER A 62 -16.813 8.882 -6.467 1.00 64.51 H new ATOM 0 HB3 SER A 62 -15.483 9.149 -7.577 1.00 64.51 H new ATOM 0 HG SER A 62 -17.503 9.950 -8.419 1.00 11.22 H new ATOM 898 N ILE A 63 -14.075 6.142 -6.820 1.00 61.42 N ATOM 899 CA ILE A 63 -13.044 5.697 -5.923 1.00 11.52 C ATOM 900 C ILE A 63 -12.238 6.867 -5.384 1.00 22.05 C ATOM 901 O ILE A 63 -11.841 7.778 -6.125 1.00 31.23 O ATOM 902 CB ILE A 63 -12.151 4.643 -6.595 1.00 25.44 C ATOM 903 CG1 ILE A 63 -13.013 3.416 -6.926 1.00 65.41 C ATOM 904 CG2 ILE A 63 -10.932 4.293 -5.749 1.00 31.35 C ATOM 905 CD1 ILE A 63 -12.271 2.268 -7.526 1.00 71.03 C ATOM 0 H ILE A 63 -13.862 5.987 -7.806 1.00 61.42 H new ATOM 0 HA ILE A 63 -13.522 5.220 -5.067 1.00 11.52 H new ATOM 0 HB ILE A 63 -11.743 5.051 -7.520 1.00 25.44 H new ATOM 0 HG12 ILE A 63 -13.501 3.076 -6.012 1.00 65.41 H new ATOM 0 HG13 ILE A 63 -13.801 3.720 -7.615 1.00 65.41 H new ATOM 0 HG21 ILE A 63 -10.333 3.544 -6.267 1.00 31.35 H new ATOM 0 HG22 ILE A 63 -10.333 5.189 -5.586 1.00 31.35 H new ATOM 0 HG23 ILE A 63 -11.258 3.895 -4.788 1.00 31.35 H new ATOM 0 HD11 ILE A 63 -12.964 1.450 -7.724 1.00 71.03 H new ATOM 0 HD12 ILE A 63 -11.806 2.584 -8.460 1.00 71.03 H new ATOM 0 HD13 ILE A 63 -11.501 1.930 -6.833 1.00 71.03 H new ATOM 917 N ASN A 64 -12.047 6.855 -4.101 1.00 50.13 N ATOM 918 CA ASN A 64 -11.367 7.912 -3.417 1.00 54.15 C ATOM 919 C ASN A 64 -9.901 7.540 -3.197 1.00 55.43 C ATOM 920 O ASN A 64 -8.998 8.319 -3.476 1.00 73.42 O ATOM 921 CB ASN A 64 -12.072 8.162 -2.085 1.00 51.10 C ATOM 922 CG ASN A 64 -11.953 9.570 -1.644 1.00 1.51 C ATOM 923 OD1 ASN A 64 -11.821 10.434 -2.452 1.00 71.22 O ATOM 924 ND2 ASN A 64 -12.096 9.814 -0.392 1.00 25.20 N ATOM 0 H ASN A 64 -12.363 6.101 -3.491 1.00 50.13 H new ATOM 0 HA ASN A 64 -11.392 8.823 -4.015 1.00 54.15 H new ATOM 0 HB2 ASN A 64 -13.126 7.901 -2.179 1.00 51.10 H new ATOM 0 HB3 ASN A 64 -11.648 7.508 -1.323 1.00 51.10 H new ATOM 0 HD21 ASN A 64 -12.099 10.778 -0.057 1.00 25.20 H new ATOM 0 HD22 ASN A 64 -12.206 9.044 0.268 1.00 25.20 H new ATOM 931 N ARG A 65 -9.689 6.331 -2.734 1.00 50.31 N ATOM 932 CA ARG A 65 -8.351 5.800 -2.443 1.00 3.31 C ATOM 933 C ARG A 65 -8.441 4.299 -2.522 1.00 61.04 C ATOM 934 O ARG A 65 -9.539 3.758 -2.458 1.00 44.53 O ATOM 935 CB ARG A 65 -7.909 6.133 -1.005 1.00 4.32 C ATOM 936 CG ARG A 65 -7.913 7.605 -0.589 1.00 4.44 C ATOM 937 CD ARG A 65 -7.556 7.727 0.880 1.00 41.22 C ATOM 938 NE ARG A 65 -6.145 7.586 1.093 1.00 52.24 N ATOM 939 CZ ARG A 65 -5.553 6.691 1.856 1.00 53.40 C ATOM 940 NH1 ARG A 65 -6.244 5.680 2.402 1.00 1.32 N ATOM 941 NH2 ARG A 65 -4.255 6.796 2.065 1.00 51.12 N ATOM 0 H ARG A 65 -10.441 5.669 -2.542 1.00 50.31 H new ATOM 0 HA ARG A 65 -7.643 6.234 -3.149 1.00 3.31 H new ATOM 0 HB2 ARG A 65 -8.557 5.588 -0.319 1.00 4.32 H new ATOM 0 HB3 ARG A 65 -6.899 5.746 -0.865 1.00 4.32 H new ATOM 0 HG2 ARG A 65 -7.199 8.165 -1.193 1.00 4.44 H new ATOM 0 HG3 ARG A 65 -8.895 8.041 -0.771 1.00 4.44 H new ATOM 0 HD2 ARG A 65 -7.887 8.695 1.256 1.00 41.22 H new ATOM 0 HD3 ARG A 65 -8.089 6.965 1.449 1.00 41.22 H new ATOM 0 HE ARG A 65 -5.539 8.245 0.604 1.00 52.24 H new ATOM 0 HH11 ARG A 65 -7.246 5.595 2.229 1.00 1.32 H new ATOM 0 HH12 ARG A 65 -5.768 4.996 2.990 1.00 1.32 H new ATOM 0 HH21 ARG A 65 -3.730 7.560 1.639 1.00 51.12 H new ATOM 0 HH22 ARG A 65 -3.776 6.114 2.653 1.00 51.12 H new ATOM 955 N ILE A 66 -7.321 3.622 -2.644 1.00 33.55 N ATOM 956 CA ILE A 66 -7.299 2.166 -2.585 1.00 40.33 C ATOM 957 C ILE A 66 -5.984 1.722 -1.973 1.00 1.42 C ATOM 958 O ILE A 66 -4.951 2.362 -2.168 1.00 21.15 O ATOM 959 CB ILE A 66 -7.533 1.389 -3.950 1.00 52.14 C ATOM 960 CG1 ILE A 66 -6.403 1.560 -4.941 1.00 74.33 C ATOM 961 CG2 ILE A 66 -8.845 1.764 -4.608 1.00 70.21 C ATOM 962 CD1 ILE A 66 -6.611 0.741 -6.205 1.00 10.10 C ATOM 0 H ILE A 66 -6.407 4.052 -2.785 1.00 33.55 H new ATOM 0 HA ILE A 66 -8.163 1.900 -1.976 1.00 40.33 H new ATOM 0 HB ILE A 66 -7.568 0.337 -3.666 1.00 52.14 H new ATOM 0 HG12 ILE A 66 -6.311 2.614 -5.205 1.00 74.33 H new ATOM 0 HG13 ILE A 66 -5.464 1.266 -4.471 1.00 74.33 H new ATOM 0 HG21 ILE A 66 -8.958 1.206 -5.538 1.00 70.21 H new ATOM 0 HG22 ILE A 66 -9.670 1.524 -3.938 1.00 70.21 H new ATOM 0 HG23 ILE A 66 -8.852 2.833 -4.823 1.00 70.21 H new ATOM 0 HD11 ILE A 66 -5.772 0.899 -6.883 1.00 10.10 H new ATOM 0 HD12 ILE A 66 -6.675 -0.316 -5.947 1.00 10.10 H new ATOM 0 HD13 ILE A 66 -7.535 1.052 -6.692 1.00 10.10 H new ATOM 974 N THR A 67 -6.039 0.680 -1.219 1.00 65.00 N ATOM 975 CA THR A 67 -4.883 0.109 -0.571 1.00 63.12 C ATOM 976 C THR A 67 -4.818 -1.350 -0.964 1.00 71.11 C ATOM 977 O THR A 67 -5.810 -2.037 -0.877 1.00 65.23 O ATOM 978 CB THR A 67 -5.013 0.232 0.965 1.00 63.02 C ATOM 979 OG1 THR A 67 -5.195 1.611 1.312 1.00 72.35 O ATOM 980 CG2 THR A 67 -3.772 -0.305 1.672 1.00 10.11 C ATOM 0 H THR A 67 -6.906 0.180 -1.023 1.00 65.00 H new ATOM 0 HA THR A 67 -3.978 0.635 -0.876 1.00 63.12 H new ATOM 0 HB THR A 67 -5.871 -0.359 1.286 1.00 63.02 H new ATOM 0 HG1 THR A 67 -5.280 1.695 2.285 1.00 72.35 H new ATOM 0 HG21 THR A 67 -3.895 -0.204 2.750 1.00 10.11 H new ATOM 0 HG22 THR A 67 -3.636 -1.356 1.419 1.00 10.11 H new ATOM 0 HG23 THR A 67 -2.897 0.261 1.352 1.00 10.11 H new ATOM 988 N ILE A 68 -3.690 -1.819 -1.408 1.00 1.50 N ATOM 989 CA ILE A 68 -3.577 -3.193 -1.831 1.00 65.21 C ATOM 990 C ILE A 68 -2.383 -3.759 -1.126 1.00 63.15 C ATOM 991 O ILE A 68 -1.301 -3.213 -1.247 1.00 14.14 O ATOM 992 CB ILE A 68 -3.322 -3.365 -3.380 1.00 4.50 C ATOM 993 CG1 ILE A 68 -4.196 -2.449 -4.259 1.00 14.43 C ATOM 994 CG2 ILE A 68 -3.534 -4.816 -3.798 1.00 61.24 C ATOM 995 CD1 ILE A 68 -3.715 -1.012 -4.320 1.00 25.23 C ATOM 0 H ILE A 68 -2.831 -1.274 -1.489 1.00 1.50 H new ATOM 0 HA ILE A 68 -4.518 -3.691 -1.599 1.00 65.21 H new ATOM 0 HB ILE A 68 -2.286 -3.068 -3.543 1.00 4.50 H new ATOM 0 HG12 ILE A 68 -4.227 -2.854 -5.270 1.00 14.43 H new ATOM 0 HG13 ILE A 68 -5.217 -2.464 -3.878 1.00 14.43 H new ATOM 0 HG21 ILE A 68 -3.354 -4.916 -4.868 1.00 61.24 H new ATOM 0 HG22 ILE A 68 -2.842 -5.457 -3.252 1.00 61.24 H new ATOM 0 HG23 ILE A 68 -4.558 -5.114 -3.573 1.00 61.24 H new ATOM 0 HD11 ILE A 68 -4.382 -0.432 -4.958 1.00 25.23 H new ATOM 0 HD12 ILE A 68 -3.711 -0.587 -3.316 1.00 25.23 H new ATOM 0 HD13 ILE A 68 -2.705 -0.983 -4.730 1.00 25.23 H new ATOM 1007 N LEU A 69 -2.563 -4.768 -0.355 1.00 61.43 N ATOM 1008 CA LEU A 69 -1.432 -5.375 0.300 1.00 55.40 C ATOM 1009 C LEU A 69 -1.285 -6.834 -0.033 1.00 2.24 C ATOM 1010 O LEU A 69 -2.268 -7.588 -0.028 1.00 2.31 O ATOM 1011 CB LEU A 69 -1.289 -5.075 1.814 1.00 53.35 C ATOM 1012 CG LEU A 69 -2.420 -5.445 2.762 1.00 3.44 C ATOM 1013 CD1 LEU A 69 -1.945 -5.247 4.187 1.00 52.34 C ATOM 1014 CD2 LEU A 69 -3.643 -4.573 2.520 1.00 30.34 C ATOM 0 H LEU A 69 -3.466 -5.197 -0.155 1.00 61.43 H new ATOM 0 HA LEU A 69 -0.574 -4.862 -0.134 1.00 55.40 H new ATOM 0 HB2 LEU A 69 -0.390 -5.583 2.164 1.00 53.35 H new ATOM 0 HB3 LEU A 69 -1.112 -4.005 1.919 1.00 53.35 H new ATOM 0 HG LEU A 69 -2.698 -6.485 2.588 1.00 3.44 H new ATOM 0 HD11 LEU A 69 -2.747 -5.509 4.877 1.00 52.34 H new ATOM 0 HD12 LEU A 69 -1.082 -5.885 4.375 1.00 52.34 H new ATOM 0 HD13 LEU A 69 -1.664 -4.204 4.335 1.00 52.34 H new ATOM 0 HD21 LEU A 69 -4.436 -4.859 3.211 1.00 30.34 H new ATOM 0 HD22 LEU A 69 -3.382 -3.527 2.680 1.00 30.34 H new ATOM 0 HD23 LEU A 69 -3.989 -4.708 1.495 1.00 30.34 H new ATOM 1026 N CYS A 70 -0.085 -7.228 -0.335 1.00 61.05 N ATOM 1027 CA CYS A 70 0.216 -8.583 -0.671 1.00 0.40 C ATOM 1028 C CYS A 70 1.173 -9.142 0.365 1.00 74.11 C ATOM 1029 O CYS A 70 2.192 -8.541 0.644 1.00 1.34 O ATOM 1030 CB CYS A 70 0.866 -8.637 -2.044 1.00 50.43 C ATOM 1031 SG CYS A 70 -0.106 -7.879 -3.365 1.00 70.25 S ATOM 0 H CYS A 70 0.723 -6.606 -0.355 1.00 61.05 H new ATOM 0 HA CYS A 70 -0.701 -9.172 -0.687 1.00 0.40 H new ATOM 0 HB2 CYS A 70 1.835 -8.141 -1.993 1.00 50.43 H new ATOM 0 HB3 CYS A 70 1.055 -9.679 -2.302 1.00 50.43 H new ATOM 0 HG CYS A 70 0.483 -8.079 -4.507 1.00 70.25 H new ATOM 1037 N ASP A 71 0.831 -10.248 0.939 1.00 65.21 N ATOM 1038 CA ASP A 71 1.671 -10.912 1.921 1.00 60.23 C ATOM 1039 C ASP A 71 2.150 -12.206 1.305 1.00 44.34 C ATOM 1040 O ASP A 71 1.348 -12.965 0.783 1.00 31.14 O ATOM 1041 CB ASP A 71 0.842 -11.233 3.151 1.00 22.44 C ATOM 1042 CG ASP A 71 1.633 -11.824 4.275 1.00 55.42 C ATOM 1043 OD1 ASP A 71 2.254 -12.898 4.097 1.00 2.34 O ATOM 1044 OD2 ASP A 71 1.602 -11.241 5.353 1.00 24.34 O ATOM 0 H ASP A 71 -0.046 -10.733 0.748 1.00 65.21 H new ATOM 0 HA ASP A 71 2.510 -10.277 2.205 1.00 60.23 H new ATOM 0 HB2 ASP A 71 0.358 -10.321 3.500 1.00 22.44 H new ATOM 0 HB3 ASP A 71 0.049 -11.927 2.872 1.00 22.44 H new ATOM 1049 N LYS A 72 3.414 -12.469 1.351 1.00 12.02 N ATOM 1050 CA LYS A 72 3.929 -13.654 0.715 1.00 1.22 C ATOM 1051 C LYS A 72 4.802 -14.450 1.698 1.00 54.02 C ATOM 1052 O LYS A 72 5.507 -15.384 1.290 1.00 43.32 O ATOM 1053 CB LYS A 72 4.797 -13.225 -0.482 1.00 3.03 C ATOM 1054 CG LYS A 72 5.177 -14.348 -1.448 1.00 51.51 C ATOM 1055 CD LYS A 72 6.329 -13.945 -2.357 1.00 54.01 C ATOM 1056 CE LYS A 72 6.001 -12.732 -3.191 1.00 73.12 C ATOM 1057 NZ LYS A 72 7.138 -12.323 -4.027 1.00 45.14 N ATOM 0 H LYS A 72 4.112 -11.889 1.817 1.00 12.02 H new ATOM 0 HA LYS A 72 3.098 -14.280 0.389 1.00 1.22 H new ATOM 0 HB2 LYS A 72 4.264 -12.454 -1.038 1.00 3.03 H new ATOM 0 HB3 LYS A 72 5.712 -12.770 -0.102 1.00 3.03 H new ATOM 0 HG2 LYS A 72 5.455 -15.237 -0.881 1.00 51.51 H new ATOM 0 HG3 LYS A 72 4.311 -14.614 -2.054 1.00 51.51 H new ATOM 0 HD2 LYS A 72 7.212 -13.739 -1.752 1.00 54.01 H new ATOM 0 HD3 LYS A 72 6.580 -14.778 -3.014 1.00 54.01 H new ATOM 0 HE2 LYS A 72 5.142 -12.949 -3.826 1.00 73.12 H new ATOM 0 HE3 LYS A 72 5.715 -11.908 -2.538 1.00 73.12 H new ATOM 0 HZ1 LYS A 72 6.793 -11.758 -4.829 1.00 45.14 H new ATOM 0 HZ2 LYS A 72 7.798 -11.753 -3.461 1.00 45.14 H new ATOM 0 HZ3 LYS A 72 7.628 -13.168 -4.384 1.00 45.14 H new ATOM 1071 N PHE A 73 4.740 -14.125 2.994 1.00 2.52 N ATOM 1072 CA PHE A 73 5.681 -14.734 3.938 1.00 15.33 C ATOM 1073 C PHE A 73 5.547 -16.265 4.066 1.00 32.02 C ATOM 1074 O PHE A 73 6.487 -16.940 4.506 1.00 64.52 O ATOM 1075 CB PHE A 73 5.745 -14.019 5.324 1.00 11.41 C ATOM 1076 CG PHE A 73 4.566 -14.160 6.263 1.00 62.31 C ATOM 1077 CD1 PHE A 73 4.198 -15.394 6.777 1.00 44.52 C ATOM 1078 CD2 PHE A 73 3.854 -13.053 6.650 1.00 2.21 C ATOM 1079 CE1 PHE A 73 3.138 -15.512 7.645 1.00 20.45 C ATOM 1080 CE2 PHE A 73 2.798 -13.164 7.523 1.00 15.21 C ATOM 1081 CZ PHE A 73 2.437 -14.395 8.021 1.00 52.24 C ATOM 0 H PHE A 73 4.074 -13.469 3.402 1.00 2.52 H new ATOM 0 HA PHE A 73 6.654 -14.566 3.476 1.00 15.33 H new ATOM 0 HB2 PHE A 73 6.630 -14.384 5.845 1.00 11.41 H new ATOM 0 HB3 PHE A 73 5.899 -12.955 5.142 1.00 11.41 H new ATOM 0 HD1 PHE A 73 4.752 -16.276 6.491 1.00 44.52 H new ATOM 0 HD2 PHE A 73 4.127 -12.082 6.264 1.00 2.21 H new ATOM 0 HE1 PHE A 73 2.858 -16.482 8.030 1.00 20.45 H new ATOM 0 HE2 PHE A 73 2.250 -12.282 7.819 1.00 15.21 H new ATOM 0 HZ PHE A 73 1.605 -14.481 8.705 1.00 52.24 H new ATOM 1091 N SER A 74 4.407 -16.802 3.685 1.00 21.42 N ATOM 1092 CA SER A 74 4.192 -18.235 3.741 1.00 55.32 C ATOM 1093 C SER A 74 4.466 -18.920 2.384 1.00 74.42 C ATOM 1094 O SER A 74 4.191 -20.116 2.216 1.00 34.31 O ATOM 1095 CB SER A 74 2.780 -18.553 4.235 1.00 41.41 C ATOM 1096 OG SER A 74 2.559 -18.024 5.539 1.00 44.43 O ATOM 0 H SER A 74 3.613 -16.268 3.332 1.00 21.42 H new ATOM 0 HA SER A 74 4.910 -18.639 4.455 1.00 55.32 H new ATOM 0 HB2 SER A 74 2.048 -18.138 3.542 1.00 41.41 H new ATOM 0 HB3 SER A 74 2.631 -19.633 4.248 1.00 41.41 H new ATOM 0 HG SER A 74 3.105 -17.219 5.662 1.00 44.43 H new ATOM 1102 N GLY A 75 5.033 -18.190 1.431 1.00 23.35 N ATOM 1103 CA GLY A 75 5.352 -18.790 0.152 1.00 24.31 C ATOM 1104 C GLY A 75 4.501 -18.266 -0.975 1.00 42.12 C ATOM 1105 O GLY A 75 5.016 -17.758 -1.966 1.00 23.23 O ATOM 0 H GLY A 75 5.275 -17.203 1.520 1.00 23.35 H new ATOM 0 HA2 GLY A 75 6.402 -18.606 -0.077 1.00 24.31 H new ATOM 0 HA3 GLY A 75 5.226 -19.870 0.223 1.00 24.31 H new ATOM 1109 N HIS A 76 3.207 -18.372 -0.828 1.00 55.00 N ATOM 1110 CA HIS A 76 2.309 -17.899 -1.869 1.00 52.43 C ATOM 1111 C HIS A 76 1.876 -16.504 -1.537 1.00 61.31 C ATOM 1112 O HIS A 76 1.513 -16.232 -0.388 1.00 43.34 O ATOM 1113 CB HIS A 76 1.082 -18.804 -2.072 1.00 44.33 C ATOM 1114 CG HIS A 76 1.405 -20.170 -2.578 1.00 42.25 C ATOM 1115 ND1 HIS A 76 1.091 -20.598 -3.841 1.00 53.55 N ATOM 1116 CD2 HIS A 76 2.005 -21.210 -1.977 1.00 54.03 C ATOM 1117 CE1 HIS A 76 1.484 -21.838 -3.992 1.00 14.12 C ATOM 1118 NE2 HIS A 76 2.047 -22.237 -2.878 1.00 43.25 N ATOM 0 H HIS A 76 2.747 -18.775 -0.012 1.00 55.00 H new ATOM 0 HA HIS A 76 2.857 -17.920 -2.811 1.00 52.43 H new ATOM 0 HB2 HIS A 76 0.552 -18.896 -1.124 1.00 44.33 H new ATOM 0 HB3 HIS A 76 0.401 -18.321 -2.773 1.00 44.33 H new ATOM 0 HD2 HIS A 76 2.385 -21.231 -0.966 1.00 54.03 H new ATOM 0 HE1 HIS A 76 1.364 -22.433 -4.886 1.00 14.12 H new ATOM 0 HE2 HIS A 76 2.449 -23.159 -2.711 1.00 43.25 H new ATOM 1127 N PRO A 77 1.913 -15.587 -2.498 1.00 23.33 N ATOM 1128 CA PRO A 77 1.539 -14.226 -2.244 1.00 25.15 C ATOM 1129 C PRO A 77 0.031 -14.094 -2.175 1.00 14.21 C ATOM 1130 O PRO A 77 -0.681 -14.388 -3.143 1.00 0.12 O ATOM 1131 CB PRO A 77 2.113 -13.450 -3.455 1.00 0.44 C ATOM 1132 CG PRO A 77 2.754 -14.466 -4.348 1.00 21.50 C ATOM 1133 CD PRO A 77 2.283 -15.807 -3.896 1.00 51.02 C ATOM 0 HA PRO A 77 1.918 -13.851 -1.293 1.00 25.15 H new ATOM 0 HB2 PRO A 77 1.323 -12.914 -3.982 1.00 0.44 H new ATOM 0 HB3 PRO A 77 2.840 -12.706 -3.129 1.00 0.44 H new ATOM 0 HG2 PRO A 77 2.480 -14.292 -5.388 1.00 21.50 H new ATOM 0 HG3 PRO A 77 3.840 -14.399 -4.289 1.00 21.50 H new ATOM 0 HD2 PRO A 77 1.434 -16.154 -4.486 1.00 51.02 H new ATOM 0 HD3 PRO A 77 3.066 -16.560 -3.990 1.00 51.02 H new ATOM 1141 N LYS A 78 -0.445 -13.695 -1.032 1.00 30.15 N ATOM 1142 CA LYS A 78 -1.839 -13.480 -0.788 1.00 4.13 C ATOM 1143 C LYS A 78 -2.106 -12.030 -0.877 1.00 4.13 C ATOM 1144 O LYS A 78 -1.315 -11.236 -0.401 1.00 42.00 O ATOM 1145 CB LYS A 78 -2.173 -13.943 0.628 1.00 12.41 C ATOM 1146 CG LYS A 78 -1.953 -15.418 0.874 1.00 52.05 C ATOM 1147 CD LYS A 78 -2.960 -16.286 0.129 1.00 50.02 C ATOM 1148 CE LYS A 78 -4.368 -16.106 0.686 1.00 33.52 C ATOM 1149 NZ LYS A 78 -4.443 -16.493 2.121 1.00 44.33 N ATOM 0 H LYS A 78 0.144 -13.505 -0.221 1.00 30.15 H new ATOM 0 HA LYS A 78 -2.437 -14.030 -1.514 1.00 4.13 H new ATOM 0 HB2 LYS A 78 -1.567 -13.376 1.334 1.00 12.41 H new ATOM 0 HB3 LYS A 78 -3.216 -13.704 0.838 1.00 12.41 H new ATOM 0 HG2 LYS A 78 -0.944 -15.689 0.564 1.00 52.05 H new ATOM 0 HG3 LYS A 78 -2.023 -15.620 1.943 1.00 52.05 H new ATOM 0 HD2 LYS A 78 -2.950 -16.030 -0.930 1.00 50.02 H new ATOM 0 HD3 LYS A 78 -2.668 -17.333 0.206 1.00 50.02 H new ATOM 0 HE2 LYS A 78 -4.675 -15.066 0.572 1.00 33.52 H new ATOM 0 HE3 LYS A 78 -5.068 -16.710 0.109 1.00 33.52 H new ATOM 0 HZ1 LYS A 78 -5.439 -16.604 2.399 1.00 44.33 H new ATOM 0 HZ2 LYS A 78 -3.941 -17.393 2.265 1.00 44.33 H new ATOM 0 HZ3 LYS A 78 -4.001 -15.753 2.704 1.00 44.33 H new ATOM 1163 N GLY A 79 -3.192 -11.676 -1.444 1.00 5.51 N ATOM 1164 CA GLY A 79 -3.492 -10.316 -1.559 1.00 64.35 C ATOM 1165 C GLY A 79 -4.866 -9.994 -1.077 1.00 22.23 C ATOM 1166 O GLY A 79 -5.803 -10.821 -1.169 1.00 20.44 O ATOM 0 H GLY A 79 -3.886 -12.314 -1.835 1.00 5.51 H new ATOM 0 HA2 GLY A 79 -2.765 -9.737 -0.989 1.00 64.35 H new ATOM 0 HA3 GLY A 79 -3.395 -10.012 -2.601 1.00 64.35 H new ATOM 1170 N TYR A 80 -4.978 -8.830 -0.556 1.00 54.41 N ATOM 1171 CA TYR A 80 -6.212 -8.255 -0.139 1.00 34.35 C ATOM 1172 C TYR A 80 -6.133 -6.768 -0.285 1.00 44.44 C ATOM 1173 O TYR A 80 -5.072 -6.169 -0.077 1.00 74.33 O ATOM 1174 CB TYR A 80 -6.716 -8.750 1.251 1.00 0.03 C ATOM 1175 CG TYR A 80 -5.713 -8.736 2.396 1.00 2.13 C ATOM 1176 CD1 TYR A 80 -5.544 -7.624 3.204 1.00 31.12 C ATOM 1177 CD2 TYR A 80 -4.952 -9.868 2.674 1.00 73.24 C ATOM 1178 CE1 TYR A 80 -4.638 -7.639 4.256 1.00 13.32 C ATOM 1179 CE2 TYR A 80 -4.050 -9.891 3.714 1.00 2.13 C ATOM 1180 CZ TYR A 80 -3.892 -8.777 4.501 1.00 3.22 C ATOM 1181 OH TYR A 80 -2.984 -8.802 5.544 1.00 61.51 O ATOM 0 H TYR A 80 -4.177 -8.219 -0.399 1.00 54.41 H new ATOM 0 HA TYR A 80 -7.000 -8.615 -0.801 1.00 34.35 H new ATOM 0 HB2 TYR A 80 -7.569 -8.136 1.540 1.00 0.03 H new ATOM 0 HB3 TYR A 80 -7.083 -9.770 1.135 1.00 0.03 H new ATOM 0 HD1 TYR A 80 -6.125 -6.733 3.013 1.00 31.12 H new ATOM 0 HD2 TYR A 80 -5.072 -10.748 2.060 1.00 73.24 H new ATOM 0 HE1 TYR A 80 -4.517 -6.766 4.880 1.00 13.32 H new ATOM 0 HE2 TYR A 80 -3.470 -10.781 3.910 1.00 2.13 H new ATOM 0 HH TYR A 80 -2.546 -9.678 5.576 1.00 61.51 H new ATOM 1191 N ALA A 81 -7.209 -6.176 -0.663 1.00 13.23 N ATOM 1192 CA ALA A 81 -7.216 -4.798 -1.004 1.00 72.33 C ATOM 1193 C ALA A 81 -8.360 -4.098 -0.343 1.00 35.15 C ATOM 1194 O ALA A 81 -9.366 -4.691 -0.062 1.00 63.32 O ATOM 1195 CB ALA A 81 -7.301 -4.654 -2.514 1.00 3.22 C ATOM 0 H ALA A 81 -8.115 -6.637 -0.745 1.00 13.23 H new ATOM 0 HA ALA A 81 -6.293 -4.337 -0.652 1.00 72.33 H new ATOM 0 HB1 ALA A 81 -7.307 -3.597 -2.779 1.00 3.22 H new ATOM 0 HB2 ALA A 81 -6.440 -5.139 -2.975 1.00 3.22 H new ATOM 0 HB3 ALA A 81 -8.217 -5.123 -2.873 1.00 3.22 H new ATOM 1201 N TYR A 82 -8.182 -2.864 -0.063 1.00 5.02 N ATOM 1202 CA TYR A 82 -9.201 -2.062 0.521 1.00 2.12 C ATOM 1203 C TYR A 82 -9.496 -0.908 -0.384 1.00 15.13 C ATOM 1204 O TYR A 82 -8.621 -0.093 -0.663 1.00 45.30 O ATOM 1205 CB TYR A 82 -8.762 -1.579 1.897 1.00 61.22 C ATOM 1206 CG TYR A 82 -8.528 -2.710 2.854 1.00 72.24 C ATOM 1207 CD1 TYR A 82 -9.584 -3.287 3.513 1.00 44.33 C ATOM 1208 CD2 TYR A 82 -7.255 -3.201 3.097 1.00 53.40 C ATOM 1209 CE1 TYR A 82 -9.399 -4.325 4.385 1.00 5.12 C ATOM 1210 CE2 TYR A 82 -7.058 -4.247 3.974 1.00 34.12 C ATOM 1211 CZ TYR A 82 -8.137 -4.804 4.611 1.00 50.11 C ATOM 1212 OH TYR A 82 -7.950 -5.853 5.477 1.00 34.12 O ATOM 0 H TYR A 82 -7.308 -2.367 -0.234 1.00 5.02 H new ATOM 0 HA TYR A 82 -10.109 -2.652 0.647 1.00 2.12 H new ATOM 0 HB2 TYR A 82 -7.847 -0.995 1.799 1.00 61.22 H new ATOM 0 HB3 TYR A 82 -9.523 -0.913 2.305 1.00 61.22 H new ATOM 0 HD1 TYR A 82 -10.583 -2.914 3.340 1.00 44.33 H new ATOM 0 HD2 TYR A 82 -6.408 -2.759 2.594 1.00 53.40 H new ATOM 0 HE1 TYR A 82 -10.245 -4.764 4.893 1.00 5.12 H new ATOM 0 HE2 TYR A 82 -6.063 -4.624 4.157 1.00 34.12 H new ATOM 0 HH TYR A 82 -6.996 -6.072 5.524 1.00 34.12 H new ATOM 1222 N ILE A 83 -10.700 -0.849 -0.868 1.00 14.44 N ATOM 1223 CA ILE A 83 -11.095 0.197 -1.770 1.00 31.32 C ATOM 1224 C ILE A 83 -11.850 1.232 -0.957 1.00 64.12 C ATOM 1225 O ILE A 83 -12.754 0.888 -0.212 1.00 35.51 O ATOM 1226 CB ILE A 83 -12.051 -0.353 -2.875 1.00 64.22 C ATOM 1227 CG1 ILE A 83 -11.472 -1.616 -3.557 1.00 65.23 C ATOM 1228 CG2 ILE A 83 -12.360 0.716 -3.916 1.00 50.21 C ATOM 1229 CD1 ILE A 83 -10.140 -1.436 -4.255 1.00 14.13 C ATOM 0 H ILE A 83 -11.436 -1.521 -0.651 1.00 14.44 H new ATOM 0 HA ILE A 83 -10.213 0.618 -2.252 1.00 31.32 H new ATOM 0 HB ILE A 83 -12.981 -0.635 -2.381 1.00 64.22 H new ATOM 0 HG12 ILE A 83 -11.363 -2.396 -2.803 1.00 65.23 H new ATOM 0 HG13 ILE A 83 -12.197 -1.977 -4.286 1.00 65.23 H new ATOM 0 HG21 ILE A 83 -13.028 0.305 -4.673 1.00 50.21 H new ATOM 0 HG22 ILE A 83 -12.840 1.567 -3.432 1.00 50.21 H new ATOM 0 HG23 ILE A 83 -11.434 1.042 -4.388 1.00 50.21 H new ATOM 0 HD11 ILE A 83 -9.830 -2.383 -4.697 1.00 14.13 H new ATOM 0 HD12 ILE A 83 -10.239 -0.685 -5.039 1.00 14.13 H new ATOM 0 HD13 ILE A 83 -9.392 -1.110 -3.532 1.00 14.13 H new ATOM 1241 N GLU A 84 -11.466 2.461 -1.041 1.00 53.52 N ATOM 1242 CA GLU A 84 -12.162 3.487 -0.322 1.00 13.31 C ATOM 1243 C GLU A 84 -12.847 4.404 -1.320 1.00 2.23 C ATOM 1244 O GLU A 84 -12.207 4.929 -2.230 1.00 72.34 O ATOM 1245 CB GLU A 84 -11.188 4.251 0.586 1.00 32.31 C ATOM 1246 CG GLU A 84 -10.331 3.311 1.445 1.00 71.12 C ATOM 1247 CD GLU A 84 -9.506 4.004 2.499 1.00 44.42 C ATOM 1248 OE1 GLU A 84 -8.748 4.914 2.174 1.00 21.10 O ATOM 1249 OE2 GLU A 84 -9.594 3.592 3.673 1.00 61.04 O ATOM 0 H GLU A 84 -10.675 2.785 -1.598 1.00 53.52 H new ATOM 0 HA GLU A 84 -12.923 3.048 0.323 1.00 13.31 H new ATOM 0 HB2 GLU A 84 -10.537 4.874 -0.027 1.00 32.31 H new ATOM 0 HB3 GLU A 84 -11.751 4.921 1.236 1.00 32.31 H new ATOM 0 HG2 GLU A 84 -10.985 2.587 1.931 1.00 71.12 H new ATOM 0 HG3 GLU A 84 -9.664 2.749 0.791 1.00 71.12 H new ATOM 1256 N PHE A 85 -14.137 4.568 -1.185 1.00 74.00 N ATOM 1257 CA PHE A 85 -14.904 5.373 -2.119 1.00 62.24 C ATOM 1258 C PHE A 85 -15.139 6.759 -1.591 1.00 23.24 C ATOM 1259 O PHE A 85 -14.891 7.027 -0.435 1.00 50.44 O ATOM 1260 CB PHE A 85 -16.238 4.731 -2.417 1.00 33.03 C ATOM 1261 CG PHE A 85 -16.157 3.412 -3.106 1.00 45.21 C ATOM 1262 CD1 PHE A 85 -15.991 3.350 -4.479 1.00 60.25 C ATOM 1263 CD2 PHE A 85 -16.271 2.237 -2.395 1.00 62.41 C ATOM 1264 CE1 PHE A 85 -15.939 2.139 -5.124 1.00 31.13 C ATOM 1265 CE2 PHE A 85 -16.222 1.028 -3.037 1.00 35.45 C ATOM 1266 CZ PHE A 85 -16.055 0.978 -4.399 1.00 30.34 C ATOM 0 H PHE A 85 -14.688 4.154 -0.433 1.00 74.00 H new ATOM 0 HA PHE A 85 -14.316 5.438 -3.035 1.00 62.24 H new ATOM 0 HB2 PHE A 85 -16.781 4.603 -1.481 1.00 33.03 H new ATOM 0 HB3 PHE A 85 -16.823 5.412 -3.034 1.00 33.03 H new ATOM 0 HD1 PHE A 85 -15.902 4.263 -5.048 1.00 60.25 H new ATOM 0 HD2 PHE A 85 -16.400 2.270 -1.323 1.00 62.41 H new ATOM 0 HE1 PHE A 85 -15.808 2.099 -6.195 1.00 31.13 H new ATOM 0 HE2 PHE A 85 -16.315 0.113 -2.471 1.00 35.45 H new ATOM 0 HZ PHE A 85 -16.015 0.023 -4.902 1.00 30.34 H new ATOM 1276 N ALA A 86 -15.561 7.650 -2.462 1.00 3.44 N ATOM 1277 CA ALA A 86 -15.906 9.003 -2.061 1.00 34.42 C ATOM 1278 C ALA A 86 -17.275 9.067 -1.377 1.00 74.52 C ATOM 1279 O ALA A 86 -17.489 9.889 -0.486 1.00 43.20 O ATOM 1280 CB ALA A 86 -15.863 9.938 -3.263 1.00 0.41 C ATOM 0 H ALA A 86 -15.675 7.463 -3.458 1.00 3.44 H new ATOM 0 HA ALA A 86 -15.165 9.329 -1.331 1.00 34.42 H new ATOM 0 HB1 ALA A 86 -16.124 10.948 -2.948 1.00 0.41 H new ATOM 0 HB2 ALA A 86 -14.859 9.938 -3.688 1.00 0.41 H new ATOM 0 HB3 ALA A 86 -16.575 9.597 -4.015 1.00 0.41 H new ATOM 1286 N GLU A 87 -18.202 8.221 -1.798 1.00 15.45 N ATOM 1287 CA GLU A 87 -19.539 8.234 -1.210 1.00 44.11 C ATOM 1288 C GLU A 87 -19.935 6.909 -0.584 1.00 2.11 C ATOM 1289 O GLU A 87 -19.359 5.851 -0.884 1.00 2.33 O ATOM 1290 CB GLU A 87 -20.590 8.584 -2.251 1.00 4.13 C ATOM 1291 CG GLU A 87 -20.440 9.929 -2.911 1.00 54.43 C ATOM 1292 CD GLU A 87 -21.539 10.149 -3.907 1.00 2.10 C ATOM 1293 OE1 GLU A 87 -21.399 9.707 -5.065 1.00 31.34 O ATOM 1294 OE2 GLU A 87 -22.586 10.733 -3.534 1.00 1.13 O ATOM 0 H GLU A 87 -18.061 7.527 -2.532 1.00 15.45 H new ATOM 0 HA GLU A 87 -19.496 8.990 -0.426 1.00 44.11 H new ATOM 0 HB2 GLU A 87 -20.576 7.817 -3.026 1.00 4.13 H new ATOM 0 HB3 GLU A 87 -21.571 8.541 -1.778 1.00 4.13 H new ATOM 0 HG2 GLU A 87 -20.462 10.716 -2.157 1.00 54.43 H new ATOM 0 HG3 GLU A 87 -19.472 9.991 -3.409 1.00 54.43 H new ATOM 1301 N ARG A 88 -20.952 6.985 0.266 1.00 31.15 N ATOM 1302 CA ARG A 88 -21.568 5.834 0.897 1.00 63.44 C ATOM 1303 C ARG A 88 -22.273 4.957 -0.109 1.00 0.54 C ATOM 1304 O ARG A 88 -22.323 3.741 0.042 1.00 2.51 O ATOM 1305 CB ARG A 88 -22.586 6.272 1.943 1.00 2.11 C ATOM 1306 CG ARG A 88 -22.031 6.543 3.314 1.00 20.34 C ATOM 1307 CD ARG A 88 -21.550 5.255 3.943 1.00 43.51 C ATOM 1308 NE ARG A 88 -22.603 4.224 3.968 1.00 60.53 N ATOM 1309 CZ ARG A 88 -22.391 2.910 4.157 1.00 74.05 C ATOM 1310 NH1 ARG A 88 -21.165 2.452 4.405 1.00 45.12 N ATOM 1311 NH2 ARG A 88 -23.409 2.061 4.102 1.00 63.34 N ATOM 0 H ARG A 88 -21.378 7.871 0.539 1.00 31.15 H new ATOM 0 HA ARG A 88 -20.764 5.268 1.367 1.00 63.44 H new ATOM 0 HB2 ARG A 88 -23.082 7.175 1.586 1.00 2.11 H new ATOM 0 HB3 ARG A 88 -23.351 5.500 2.026 1.00 2.11 H new ATOM 0 HG2 ARG A 88 -21.208 7.254 3.248 1.00 20.34 H new ATOM 0 HG3 ARG A 88 -22.797 7.000 3.941 1.00 20.34 H new ATOM 0 HD2 ARG A 88 -20.689 4.880 3.389 1.00 43.51 H new ATOM 0 HD3 ARG A 88 -21.212 5.453 4.960 1.00 43.51 H new ATOM 0 HE ARG A 88 -23.566 4.531 3.831 1.00 60.53 H new ATOM 0 HH11 ARG A 88 -20.379 3.100 4.453 1.00 45.12 H new ATOM 0 HH12 ARG A 88 -21.013 1.454 4.547 1.00 45.12 H new ATOM 0 HH21 ARG A 88 -24.351 2.406 3.916 1.00 63.34 H new ATOM 0 HH22 ARG A 88 -23.250 1.064 4.245 1.00 63.34 H new ATOM 1325 N ASN A 89 -22.827 5.565 -1.124 1.00 43.25 N ATOM 1326 CA ASN A 89 -23.560 4.815 -2.122 1.00 20.45 C ATOM 1327 C ASN A 89 -22.653 3.916 -2.909 1.00 42.11 C ATOM 1328 O ASN A 89 -23.077 2.858 -3.382 1.00 42.34 O ATOM 1329 CB ASN A 89 -24.360 5.702 -3.073 1.00 4.23 C ATOM 1330 CG ASN A 89 -25.418 6.547 -2.389 1.00 14.43 C ATOM 1331 OD1 ASN A 89 -25.221 7.063 -1.290 1.00 71.12 O ATOM 1332 ND2 ASN A 89 -26.560 6.638 -2.991 1.00 23.51 N ATOM 0 H ASN A 89 -22.788 6.571 -1.286 1.00 43.25 H new ATOM 0 HA ASN A 89 -24.273 4.208 -1.565 1.00 20.45 H new ATOM 0 HB2 ASN A 89 -23.672 6.360 -3.604 1.00 4.23 H new ATOM 0 HB3 ASN A 89 -24.841 5.073 -3.822 1.00 4.23 H new ATOM 0 HD21 ASN A 89 -27.327 7.149 -2.554 1.00 23.51 H new ATOM 0 HD22 ASN A 89 -26.693 6.199 -3.902 1.00 23.51 H new ATOM 1339 N SER A 90 -21.401 4.312 -3.054 1.00 0.21 N ATOM 1340 CA SER A 90 -20.449 3.545 -3.784 1.00 1.13 C ATOM 1341 C SER A 90 -20.075 2.270 -3.009 1.00 32.34 C ATOM 1342 O SER A 90 -19.988 1.188 -3.585 1.00 22.31 O ATOM 1343 CB SER A 90 -19.239 4.412 -3.998 1.00 22.32 C ATOM 1344 OG SER A 90 -19.621 5.687 -4.487 1.00 3.34 O ATOM 0 H SER A 90 -21.031 5.178 -2.662 1.00 0.21 H new ATOM 0 HA SER A 90 -20.864 3.231 -4.742 1.00 1.13 H new ATOM 0 HB2 SER A 90 -18.694 4.524 -3.061 1.00 22.32 H new ATOM 0 HB3 SER A 90 -18.562 3.933 -4.705 1.00 22.32 H new ATOM 0 HG SER A 90 -18.822 6.239 -4.619 1.00 3.34 H new ATOM 1350 N VAL A 91 -19.885 2.400 -1.688 1.00 11.31 N ATOM 1351 CA VAL A 91 -19.597 1.234 -0.846 1.00 43.44 C ATOM 1352 C VAL A 91 -20.803 0.326 -0.777 1.00 73.44 C ATOM 1353 O VAL A 91 -20.672 -0.897 -0.856 1.00 25.40 O ATOM 1354 CB VAL A 91 -19.044 1.605 0.603 1.00 51.14 C ATOM 1355 CG1 VAL A 91 -19.619 2.872 1.101 1.00 23.13 C ATOM 1356 CG2 VAL A 91 -19.349 0.503 1.636 1.00 70.54 C ATOM 0 H VAL A 91 -19.925 3.288 -1.187 1.00 11.31 H new ATOM 0 HA VAL A 91 -18.780 0.696 -1.326 1.00 43.44 H new ATOM 0 HB VAL A 91 -17.965 1.710 0.489 1.00 51.14 H new ATOM 0 HG11 VAL A 91 -19.217 3.090 2.091 1.00 23.13 H new ATOM 0 HG12 VAL A 91 -19.361 3.682 0.418 1.00 23.13 H new ATOM 0 HG13 VAL A 91 -20.703 2.780 1.162 1.00 23.13 H new ATOM 0 HG21 VAL A 91 -18.955 0.797 2.609 1.00 70.54 H new ATOM 0 HG22 VAL A 91 -20.427 0.361 1.709 1.00 70.54 H new ATOM 0 HG23 VAL A 91 -18.881 -0.430 1.322 1.00 70.54 H new ATOM 1366 N ASP A 92 -21.981 0.922 -0.690 1.00 65.02 N ATOM 1367 CA ASP A 92 -23.236 0.180 -0.614 1.00 10.11 C ATOM 1368 C ASP A 92 -23.434 -0.668 -1.889 1.00 11.15 C ATOM 1369 O ASP A 92 -23.943 -1.797 -1.840 1.00 63.12 O ATOM 1370 CB ASP A 92 -24.380 1.181 -0.452 1.00 23.00 C ATOM 1371 CG ASP A 92 -25.712 0.547 -0.171 1.00 51.41 C ATOM 1372 OD1 ASP A 92 -26.431 0.204 -1.122 1.00 13.14 O ATOM 1373 OD2 ASP A 92 -26.083 0.423 1.025 1.00 14.35 O ATOM 0 H ASP A 92 -22.098 1.935 -0.670 1.00 65.02 H new ATOM 0 HA ASP A 92 -23.217 -0.498 0.239 1.00 10.11 H new ATOM 0 HB2 ASP A 92 -24.137 1.866 0.360 1.00 23.00 H new ATOM 0 HB3 ASP A 92 -24.458 1.778 -1.361 1.00 23.00 H new ATOM 1378 N ALA A 93 -23.028 -0.113 -3.018 1.00 22.23 N ATOM 1379 CA ALA A 93 -23.079 -0.808 -4.298 1.00 73.34 C ATOM 1380 C ALA A 93 -21.969 -1.876 -4.387 1.00 40.22 C ATOM 1381 O ALA A 93 -22.147 -2.916 -5.024 1.00 70.20 O ATOM 1382 CB ALA A 93 -22.958 0.193 -5.433 1.00 31.34 C ATOM 0 H ALA A 93 -22.653 0.834 -3.076 1.00 22.23 H new ATOM 0 HA ALA A 93 -24.038 -1.319 -4.382 1.00 73.34 H new ATOM 0 HB1 ALA A 93 -22.997 -0.332 -6.387 1.00 31.34 H new ATOM 0 HB2 ALA A 93 -23.780 0.907 -5.378 1.00 31.34 H new ATOM 0 HB3 ALA A 93 -22.010 0.725 -5.350 1.00 31.34 H new ATOM 1388 N ALA A 94 -20.844 -1.624 -3.736 1.00 11.54 N ATOM 1389 CA ALA A 94 -19.699 -2.534 -3.792 1.00 3.21 C ATOM 1390 C ALA A 94 -19.932 -3.769 -2.920 1.00 54.05 C ATOM 1391 O ALA A 94 -19.660 -4.884 -3.335 1.00 40.11 O ATOM 1392 CB ALA A 94 -18.418 -1.818 -3.390 1.00 10.00 C ATOM 0 H ALA A 94 -20.694 -0.796 -3.160 1.00 11.54 H new ATOM 0 HA ALA A 94 -19.589 -2.871 -4.823 1.00 3.21 H new ATOM 0 HB1 ALA A 94 -17.581 -2.515 -3.439 1.00 10.00 H new ATOM 0 HB2 ALA A 94 -18.238 -0.985 -4.070 1.00 10.00 H new ATOM 0 HB3 ALA A 94 -18.516 -1.440 -2.372 1.00 10.00 H new ATOM 1398 N VAL A 95 -20.435 -3.548 -1.708 1.00 73.52 N ATOM 1399 CA VAL A 95 -20.775 -4.642 -0.771 1.00 11.13 C ATOM 1400 C VAL A 95 -21.791 -5.628 -1.363 1.00 23.33 C ATOM 1401 O VAL A 95 -21.858 -6.771 -0.942 1.00 3.33 O ATOM 1402 CB VAL A 95 -21.250 -4.128 0.620 1.00 33.23 C ATOM 1403 CG1 VAL A 95 -20.145 -3.357 1.315 1.00 51.35 C ATOM 1404 CG2 VAL A 95 -22.512 -3.295 0.518 1.00 3.42 C ATOM 0 H VAL A 95 -20.621 -2.615 -1.339 1.00 73.52 H new ATOM 0 HA VAL A 95 -19.842 -5.182 -0.612 1.00 11.13 H new ATOM 0 HB VAL A 95 -21.492 -5.003 1.223 1.00 33.23 H new ATOM 0 HG11 VAL A 95 -20.500 -3.008 2.285 1.00 51.35 H new ATOM 0 HG12 VAL A 95 -19.282 -4.007 1.457 1.00 51.35 H new ATOM 0 HG13 VAL A 95 -19.858 -2.501 0.704 1.00 51.35 H new ATOM 0 HG21 VAL A 95 -22.807 -2.958 1.512 1.00 3.42 H new ATOM 0 HG22 VAL A 95 -22.326 -2.430 -0.119 1.00 3.42 H new ATOM 0 HG23 VAL A 95 -23.312 -3.897 0.087 1.00 3.42 H new ATOM 1414 N ALA A 96 -22.560 -5.179 -2.357 1.00 14.22 N ATOM 1415 CA ALA A 96 -23.527 -6.036 -3.059 1.00 64.33 C ATOM 1416 C ALA A 96 -22.782 -7.072 -3.930 1.00 53.44 C ATOM 1417 O ALA A 96 -23.376 -8.023 -4.427 1.00 51.51 O ATOM 1418 CB ALA A 96 -24.442 -5.178 -3.923 1.00 75.43 C ATOM 0 H ALA A 96 -22.533 -4.218 -2.699 1.00 14.22 H new ATOM 0 HA ALA A 96 -24.132 -6.570 -2.326 1.00 64.33 H new ATOM 0 HB1 ALA A 96 -25.157 -5.817 -4.442 1.00 75.43 H new ATOM 0 HB2 ALA A 96 -24.979 -4.470 -3.292 1.00 75.43 H new ATOM 0 HB3 ALA A 96 -23.846 -4.633 -4.654 1.00 75.43 H new ATOM 1424 N MET A 97 -21.486 -6.875 -4.091 1.00 64.22 N ATOM 1425 CA MET A 97 -20.655 -7.792 -4.861 1.00 75.41 C ATOM 1426 C MET A 97 -19.851 -8.677 -3.933 1.00 54.01 C ATOM 1427 O MET A 97 -18.932 -9.360 -4.386 1.00 14.32 O ATOM 1428 CB MET A 97 -19.675 -7.053 -5.794 1.00 40.12 C ATOM 1429 CG MET A 97 -20.311 -6.172 -6.845 1.00 31.15 C ATOM 1430 SD MET A 97 -19.096 -5.531 -8.044 1.00 72.40 S ATOM 1431 CE MET A 97 -17.950 -4.654 -6.979 1.00 43.21 C ATOM 0 H MET A 97 -20.980 -6.082 -3.696 1.00 64.22 H new ATOM 0 HA MET A 97 -21.334 -8.388 -5.471 1.00 75.41 H new ATOM 0 HB2 MET A 97 -19.013 -6.439 -5.183 1.00 40.12 H new ATOM 0 HB3 MET A 97 -19.051 -7.793 -6.295 1.00 40.12 H new ATOM 0 HG2 MET A 97 -21.076 -6.739 -7.375 1.00 31.15 H new ATOM 0 HG3 MET A 97 -20.813 -5.336 -6.359 1.00 31.15 H new ATOM 0 HE1 MET A 97 -17.646 -3.724 -7.459 1.00 43.21 H new ATOM 0 HE2 MET A 97 -18.435 -4.430 -6.029 1.00 43.21 H new ATOM 0 HE3 MET A 97 -17.072 -5.274 -6.801 1.00 43.21 H new ATOM 1441 N ASP A 98 -20.187 -8.641 -2.627 1.00 41.23 N ATOM 1442 CA ASP A 98 -19.489 -9.416 -1.576 1.00 4.54 C ATOM 1443 C ASP A 98 -19.061 -10.805 -2.019 1.00 22.33 C ATOM 1444 O ASP A 98 -17.933 -11.179 -1.783 1.00 53.32 O ATOM 1445 CB ASP A 98 -20.295 -9.500 -0.267 1.00 32.41 C ATOM 1446 CG ASP A 98 -21.470 -10.445 -0.312 1.00 0.14 C ATOM 1447 OD1 ASP A 98 -22.460 -10.155 -0.981 1.00 22.01 O ATOM 1448 OD2 ASP A 98 -21.402 -11.504 0.344 1.00 73.45 O ATOM 0 H ASP A 98 -20.953 -8.071 -2.268 1.00 41.23 H new ATOM 0 HA ASP A 98 -18.579 -8.848 -1.383 1.00 4.54 H new ATOM 0 HB2 ASP A 98 -19.627 -9.810 0.536 1.00 32.41 H new ATOM 0 HB3 ASP A 98 -20.657 -8.503 -0.014 1.00 32.41 H new ATOM 1453 N GLU A 99 -19.941 -11.575 -2.624 1.00 21.54 N ATOM 1454 CA GLU A 99 -19.551 -12.840 -3.141 1.00 23.32 C ATOM 1455 C GLU A 99 -19.674 -12.837 -4.665 1.00 72.43 C ATOM 1456 O GLU A 99 -20.770 -12.963 -5.237 1.00 73.20 O ATOM 1457 CB GLU A 99 -20.358 -13.959 -2.482 1.00 4.54 C ATOM 1458 CG GLU A 99 -19.942 -15.359 -2.884 1.00 14.15 C ATOM 1459 CD GLU A 99 -20.662 -16.410 -2.082 1.00 32.34 C ATOM 1460 OE1 GLU A 99 -21.779 -16.805 -2.458 1.00 21.03 O ATOM 1461 OE2 GLU A 99 -20.112 -16.856 -1.047 1.00 12.32 O ATOM 0 H GLU A 99 -20.923 -11.336 -2.762 1.00 21.54 H new ATOM 0 HA GLU A 99 -18.505 -13.030 -2.902 1.00 23.32 H new ATOM 0 HB2 GLU A 99 -20.268 -13.864 -1.400 1.00 4.54 H new ATOM 0 HB3 GLU A 99 -21.411 -13.823 -2.728 1.00 4.54 H new ATOM 0 HG2 GLU A 99 -20.146 -15.508 -3.944 1.00 14.15 H new ATOM 0 HG3 GLU A 99 -18.866 -15.472 -2.748 1.00 14.15 H new ATOM 1468 N THR A 100 -18.552 -12.654 -5.287 1.00 20.42 N ATOM 1469 CA THR A 100 -18.448 -12.591 -6.729 1.00 71.30 C ATOM 1470 C THR A 100 -17.230 -13.334 -7.211 1.00 73.55 C ATOM 1471 O THR A 100 -16.351 -13.686 -6.420 1.00 4.42 O ATOM 1472 CB THR A 100 -18.447 -11.131 -7.273 1.00 35.01 C ATOM 1473 OG1 THR A 100 -17.537 -10.309 -6.526 1.00 71.50 O ATOM 1474 CG2 THR A 100 -19.844 -10.520 -7.276 1.00 60.23 C ATOM 0 H THR A 100 -17.659 -12.541 -4.806 1.00 20.42 H new ATOM 0 HA THR A 100 -19.341 -13.075 -7.125 1.00 71.30 H new ATOM 0 HB THR A 100 -18.109 -11.174 -8.308 1.00 35.01 H new ATOM 0 HG1 THR A 100 -17.982 -9.980 -5.717 1.00 71.50 H new ATOM 0 HG21 THR A 100 -19.795 -9.502 -7.663 1.00 60.23 H new ATOM 0 HG22 THR A 100 -20.501 -11.117 -7.908 1.00 60.23 H new ATOM 0 HG23 THR A 100 -20.236 -10.503 -6.259 1.00 60.23 H new ATOM 1482 N VAL A 101 -17.171 -13.569 -8.484 1.00 1.33 N ATOM 1483 CA VAL A 101 -16.078 -14.264 -9.064 1.00 61.53 C ATOM 1484 C VAL A 101 -15.305 -13.324 -9.975 1.00 62.00 C ATOM 1485 O VAL A 101 -15.750 -12.949 -11.061 1.00 2.12 O ATOM 1486 CB VAL A 101 -16.518 -15.590 -9.772 1.00 15.30 C ATOM 1487 CG1 VAL A 101 -17.635 -15.358 -10.772 1.00 42.43 C ATOM 1488 CG2 VAL A 101 -15.334 -16.279 -10.437 1.00 51.43 C ATOM 0 H VAL A 101 -17.887 -13.280 -9.150 1.00 1.33 H new ATOM 0 HA VAL A 101 -15.406 -14.588 -8.269 1.00 61.53 H new ATOM 0 HB VAL A 101 -16.906 -16.249 -8.996 1.00 15.30 H new ATOM 0 HG11 VAL A 101 -17.908 -16.304 -11.239 1.00 42.43 H new ATOM 0 HG12 VAL A 101 -18.502 -14.943 -10.259 1.00 42.43 H new ATOM 0 HG13 VAL A 101 -17.298 -14.660 -11.538 1.00 42.43 H new ATOM 0 HG21 VAL A 101 -15.671 -17.196 -10.920 1.00 51.43 H new ATOM 0 HG22 VAL A 101 -14.899 -15.615 -11.184 1.00 51.43 H new ATOM 0 HG23 VAL A 101 -14.583 -16.520 -9.684 1.00 51.43 H new ATOM 1498 N PHE A 102 -14.178 -12.918 -9.502 1.00 25.20 N ATOM 1499 CA PHE A 102 -13.348 -11.983 -10.179 1.00 74.42 C ATOM 1500 C PHE A 102 -12.078 -12.680 -10.581 1.00 33.52 C ATOM 1501 O PHE A 102 -11.409 -13.277 -9.744 1.00 20.53 O ATOM 1502 CB PHE A 102 -13.062 -10.806 -9.237 1.00 55.34 C ATOM 1503 CG PHE A 102 -12.202 -9.715 -9.806 1.00 60.35 C ATOM 1504 CD1 PHE A 102 -12.725 -8.799 -10.695 1.00 24.03 C ATOM 1505 CD2 PHE A 102 -10.873 -9.593 -9.430 1.00 43.24 C ATOM 1506 CE1 PHE A 102 -11.943 -7.781 -11.201 1.00 41.43 C ATOM 1507 CE2 PHE A 102 -10.088 -8.581 -9.936 1.00 13.34 C ATOM 1508 CZ PHE A 102 -10.622 -7.673 -10.821 1.00 62.14 C ATOM 0 H PHE A 102 -13.798 -13.235 -8.610 1.00 25.20 H new ATOM 0 HA PHE A 102 -13.835 -11.597 -11.075 1.00 74.42 H new ATOM 0 HB2 PHE A 102 -14.013 -10.371 -8.929 1.00 55.34 H new ATOM 0 HB3 PHE A 102 -12.581 -11.192 -8.338 1.00 55.34 H new ATOM 0 HD1 PHE A 102 -13.758 -8.880 -10.998 1.00 24.03 H new ATOM 0 HD2 PHE A 102 -10.449 -10.300 -8.732 1.00 43.24 H new ATOM 0 HE1 PHE A 102 -12.366 -7.069 -11.894 1.00 41.43 H new ATOM 0 HE2 PHE A 102 -9.053 -8.500 -9.638 1.00 13.34 H new ATOM 0 HZ PHE A 102 -10.008 -6.878 -11.217 1.00 62.14 H new ATOM 1518 N ARG A 103 -11.765 -12.628 -11.863 1.00 42.43 N ATOM 1519 CA ARG A 103 -10.577 -13.254 -12.434 1.00 54.42 C ATOM 1520 C ARG A 103 -10.538 -14.754 -12.067 1.00 24.24 C ATOM 1521 O ARG A 103 -9.524 -15.295 -11.595 1.00 73.55 O ATOM 1522 CB ARG A 103 -9.327 -12.486 -11.989 1.00 51.24 C ATOM 1523 CG ARG A 103 -8.098 -12.764 -12.825 1.00 42.24 C ATOM 1524 CD ARG A 103 -6.990 -11.801 -12.471 1.00 11.14 C ATOM 1525 NE ARG A 103 -5.888 -11.874 -13.418 1.00 50.34 N ATOM 1526 CZ ARG A 103 -5.576 -10.898 -14.288 1.00 24.03 C ATOM 1527 NH1 ARG A 103 -6.315 -9.785 -14.353 1.00 33.54 N ATOM 1528 NH2 ARG A 103 -4.536 -11.036 -15.095 1.00 61.03 N ATOM 0 H ARG A 103 -12.337 -12.141 -12.553 1.00 42.43 H new ATOM 0 HA ARG A 103 -10.608 -13.205 -13.522 1.00 54.42 H new ATOM 0 HB2 ARG A 103 -9.540 -11.418 -12.021 1.00 51.24 H new ATOM 0 HB3 ARG A 103 -9.111 -12.737 -10.951 1.00 51.24 H new ATOM 0 HG2 ARG A 103 -7.764 -13.789 -12.662 1.00 42.24 H new ATOM 0 HG3 ARG A 103 -8.342 -12.673 -13.883 1.00 42.24 H new ATOM 0 HD2 ARG A 103 -7.384 -10.785 -12.450 1.00 11.14 H new ATOM 0 HD3 ARG A 103 -6.623 -12.022 -11.469 1.00 11.14 H new ATOM 0 HE ARG A 103 -5.316 -12.719 -13.422 1.00 50.34 H new ATOM 0 HH11 ARG A 103 -7.122 -9.672 -13.740 1.00 33.54 H new ATOM 0 HH12 ARG A 103 -6.071 -9.049 -15.016 1.00 33.54 H new ATOM 0 HH21 ARG A 103 -3.970 -11.884 -15.057 1.00 61.03 H new ATOM 0 HH22 ARG A 103 -4.300 -10.295 -15.755 1.00 61.03 H new ATOM 1542 N GLY A 104 -11.687 -15.387 -12.278 1.00 62.52 N ATOM 1543 CA GLY A 104 -11.869 -16.816 -12.048 1.00 54.13 C ATOM 1544 C GLY A 104 -11.824 -17.248 -10.586 1.00 73.10 C ATOM 1545 O GLY A 104 -11.814 -18.448 -10.297 1.00 1.31 O ATOM 0 H GLY A 104 -12.527 -14.918 -12.617 1.00 62.52 H new ATOM 0 HA2 GLY A 104 -12.828 -17.117 -12.470 1.00 54.13 H new ATOM 0 HA3 GLY A 104 -11.097 -17.357 -12.594 1.00 54.13 H new ATOM 1549 N ARG A 105 -11.791 -16.311 -9.664 1.00 44.04 N ATOM 1550 CA ARG A 105 -11.737 -16.673 -8.259 1.00 22.34 C ATOM 1551 C ARG A 105 -12.767 -15.892 -7.450 1.00 34.03 C ATOM 1552 O ARG A 105 -13.071 -14.741 -7.766 1.00 4.34 O ATOM 1553 CB ARG A 105 -10.309 -16.460 -7.746 1.00 32.15 C ATOM 1554 CG ARG A 105 -9.836 -15.014 -7.759 1.00 55.11 C ATOM 1555 CD ARG A 105 -8.334 -14.944 -7.904 1.00 43.31 C ATOM 1556 NE ARG A 105 -7.939 -15.434 -9.237 1.00 32.11 N ATOM 1557 CZ ARG A 105 -6.753 -15.940 -9.574 1.00 40.52 C ATOM 1558 NH1 ARG A 105 -5.800 -16.105 -8.663 1.00 54.45 N ATOM 1559 NH2 ARG A 105 -6.529 -16.296 -10.836 1.00 54.32 N ATOM 0 H ARG A 105 -11.800 -15.309 -9.853 1.00 44.04 H new ATOM 0 HA ARG A 105 -11.993 -17.726 -8.139 1.00 22.34 H new ATOM 0 HB2 ARG A 105 -10.244 -16.840 -6.726 1.00 32.15 H new ATOM 0 HB3 ARG A 105 -9.627 -17.056 -8.353 1.00 32.15 H new ATOM 0 HG2 ARG A 105 -10.311 -14.478 -8.581 1.00 55.11 H new ATOM 0 HG3 ARG A 105 -10.141 -14.518 -6.837 1.00 55.11 H new ATOM 0 HD2 ARG A 105 -7.994 -13.918 -7.768 1.00 43.31 H new ATOM 0 HD3 ARG A 105 -7.856 -15.544 -7.129 1.00 43.31 H new ATOM 0 HE ARG A 105 -8.642 -15.381 -9.974 1.00 32.11 H new ATOM 0 HH11 ARG A 105 -5.972 -15.843 -7.692 1.00 54.45 H new ATOM 0 HH12 ARG A 105 -4.897 -16.493 -8.934 1.00 54.45 H new ATOM 0 HH21 ARG A 105 -7.262 -16.181 -11.536 1.00 54.32 H new ATOM 0 HH22 ARG A 105 -5.624 -16.684 -11.104 1.00 54.32 H new ATOM 1573 N THR A 106 -13.311 -16.519 -6.439 1.00 62.32 N ATOM 1574 CA THR A 106 -14.318 -15.893 -5.625 1.00 72.14 C ATOM 1575 C THR A 106 -13.670 -14.914 -4.653 1.00 20.11 C ATOM 1576 O THR A 106 -12.819 -15.296 -3.838 1.00 13.30 O ATOM 1577 CB THR A 106 -15.107 -16.951 -4.826 1.00 0.11 C ATOM 1578 OG1 THR A 106 -15.591 -17.966 -5.728 1.00 31.21 O ATOM 1579 CG2 THR A 106 -16.297 -16.310 -4.104 1.00 62.24 C ATOM 0 H THR A 106 -13.070 -17.470 -6.159 1.00 62.32 H new ATOM 0 HA THR A 106 -15.003 -15.359 -6.283 1.00 72.14 H new ATOM 0 HB THR A 106 -14.443 -17.393 -4.083 1.00 0.11 H new ATOM 0 HG1 THR A 106 -16.091 -18.641 -5.223 1.00 31.21 H new ATOM 0 HG21 THR A 106 -16.839 -17.074 -3.547 1.00 62.24 H new ATOM 0 HG22 THR A 106 -15.936 -15.546 -3.415 1.00 62.24 H new ATOM 0 HG23 THR A 106 -16.963 -15.853 -4.836 1.00 62.24 H new ATOM 1587 N ILE A 107 -14.047 -13.672 -4.752 1.00 25.23 N ATOM 1588 CA ILE A 107 -13.549 -12.660 -3.852 1.00 10.03 C ATOM 1589 C ILE A 107 -14.603 -12.342 -2.812 1.00 73.35 C ATOM 1590 O ILE A 107 -15.740 -12.823 -2.906 1.00 15.50 O ATOM 1591 CB ILE A 107 -13.164 -11.352 -4.601 1.00 61.41 C ATOM 1592 CG1 ILE A 107 -14.392 -10.735 -5.303 1.00 54.01 C ATOM 1593 CG2 ILE A 107 -12.045 -11.623 -5.605 1.00 65.22 C ATOM 1594 CD1 ILE A 107 -14.117 -9.408 -5.986 1.00 21.50 C ATOM 0 H ILE A 107 -14.704 -13.329 -5.453 1.00 25.23 H new ATOM 0 HA ILE A 107 -12.651 -13.056 -3.378 1.00 10.03 H new ATOM 0 HB ILE A 107 -12.802 -10.632 -3.867 1.00 61.41 H new ATOM 0 HG12 ILE A 107 -14.766 -11.442 -6.044 1.00 54.01 H new ATOM 0 HG13 ILE A 107 -15.184 -10.595 -4.568 1.00 54.01 H new ATOM 0 HG21 ILE A 107 -11.787 -10.698 -6.121 1.00 65.22 H new ATOM 0 HG22 ILE A 107 -11.168 -12.002 -5.079 1.00 65.22 H new ATOM 0 HG23 ILE A 107 -12.380 -12.363 -6.332 1.00 65.22 H new ATOM 0 HD11 ILE A 107 -15.031 -9.043 -6.454 1.00 21.50 H new ATOM 0 HD12 ILE A 107 -13.773 -8.683 -5.248 1.00 21.50 H new ATOM 0 HD13 ILE A 107 -13.348 -9.543 -6.747 1.00 21.50 H new ATOM 1606 N LYS A 108 -14.228 -11.570 -1.822 1.00 64.41 N ATOM 1607 CA LYS A 108 -15.134 -11.209 -0.761 1.00 41.42 C ATOM 1608 C LYS A 108 -15.006 -9.727 -0.491 1.00 24.01 C ATOM 1609 O LYS A 108 -13.897 -9.222 -0.354 1.00 3.10 O ATOM 1610 CB LYS A 108 -14.837 -12.048 0.502 1.00 0.35 C ATOM 1611 CG LYS A 108 -15.808 -11.851 1.676 1.00 71.14 C ATOM 1612 CD LYS A 108 -17.249 -12.001 1.256 1.00 44.22 C ATOM 1613 CE LYS A 108 -18.204 -11.881 2.422 1.00 64.11 C ATOM 1614 NZ LYS A 108 -19.548 -12.372 2.065 1.00 24.04 N ATOM 0 H LYS A 108 -13.292 -11.176 -1.729 1.00 64.41 H new ATOM 0 HA LYS A 108 -16.162 -11.421 -1.056 1.00 41.42 H new ATOM 0 HB2 LYS A 108 -14.840 -13.102 0.225 1.00 0.35 H new ATOM 0 HB3 LYS A 108 -13.829 -11.812 0.844 1.00 0.35 H new ATOM 0 HG2 LYS A 108 -15.582 -12.576 2.458 1.00 71.14 H new ATOM 0 HG3 LYS A 108 -15.658 -10.861 2.107 1.00 71.14 H new ATOM 0 HD2 LYS A 108 -17.489 -11.240 0.513 1.00 44.22 H new ATOM 0 HD3 LYS A 108 -17.386 -12.970 0.776 1.00 44.22 H new ATOM 0 HE2 LYS A 108 -17.820 -12.449 3.270 1.00 64.11 H new ATOM 0 HE3 LYS A 108 -18.267 -10.840 2.738 1.00 64.11 H new ATOM 0 HZ1 LYS A 108 -20.158 -12.356 2.907 1.00 24.04 H new ATOM 0 HZ2 LYS A 108 -19.957 -11.761 1.330 1.00 24.04 H new ATOM 0 HZ3 LYS A 108 -19.478 -13.346 1.706 1.00 24.04 H new ATOM 1628 N VAL A 109 -16.125 -9.031 -0.433 1.00 34.30 N ATOM 1629 CA VAL A 109 -16.110 -7.600 -0.219 1.00 45.13 C ATOM 1630 C VAL A 109 -16.901 -7.277 1.048 1.00 44.04 C ATOM 1631 O VAL A 109 -18.046 -7.716 1.201 1.00 34.51 O ATOM 1632 CB VAL A 109 -16.711 -6.796 -1.430 1.00 52.35 C ATOM 1633 CG1 VAL A 109 -16.478 -5.295 -1.293 1.00 4.13 C ATOM 1634 CG2 VAL A 109 -16.186 -7.307 -2.765 1.00 73.30 C ATOM 0 H VAL A 109 -17.056 -9.435 -0.531 1.00 34.30 H new ATOM 0 HA VAL A 109 -15.068 -7.295 -0.117 1.00 45.13 H new ATOM 0 HB VAL A 109 -17.788 -6.964 -1.409 1.00 52.35 H new ATOM 0 HG11 VAL A 109 -16.910 -4.780 -2.151 1.00 4.13 H new ATOM 0 HG12 VAL A 109 -16.950 -4.935 -0.379 1.00 4.13 H new ATOM 0 HG13 VAL A 109 -15.407 -5.095 -1.251 1.00 4.13 H new ATOM 0 HG21 VAL A 109 -16.625 -6.725 -3.575 1.00 73.30 H new ATOM 0 HG22 VAL A 109 -15.101 -7.206 -2.792 1.00 73.30 H new ATOM 0 HG23 VAL A 109 -16.455 -8.356 -2.884 1.00 73.30 H new ATOM 1644 N LEU A 110 -16.299 -6.539 1.944 1.00 4.22 N ATOM 1645 CA LEU A 110 -16.912 -6.149 3.207 1.00 35.35 C ATOM 1646 C LEU A 110 -16.711 -4.674 3.406 1.00 62.42 C ATOM 1647 O LEU A 110 -15.871 -4.105 2.768 1.00 51.24 O ATOM 1648 CB LEU A 110 -16.235 -6.874 4.380 1.00 55.23 C ATOM 1649 CG LEU A 110 -16.456 -8.366 4.500 1.00 41.41 C ATOM 1650 CD1 LEU A 110 -15.593 -8.922 5.626 1.00 63.13 C ATOM 1651 CD2 LEU A 110 -17.924 -8.637 4.781 1.00 13.13 C ATOM 0 H LEU A 110 -15.352 -6.181 1.823 1.00 4.22 H new ATOM 0 HA LEU A 110 -17.971 -6.407 3.176 1.00 35.35 H new ATOM 0 HB2 LEU A 110 -15.162 -6.697 4.310 1.00 55.23 H new ATOM 0 HB3 LEU A 110 -16.575 -6.408 5.305 1.00 55.23 H new ATOM 0 HG LEU A 110 -16.175 -8.855 3.567 1.00 41.41 H new ATOM 0 HD11 LEU A 110 -15.754 -9.997 5.711 1.00 63.13 H new ATOM 0 HD12 LEU A 110 -14.543 -8.728 5.409 1.00 63.13 H new ATOM 0 HD13 LEU A 110 -15.865 -8.439 6.565 1.00 63.13 H new ATOM 0 HD21 LEU A 110 -18.086 -9.711 4.868 1.00 13.13 H new ATOM 0 HD22 LEU A 110 -18.212 -8.150 5.713 1.00 13.13 H new ATOM 0 HD23 LEU A 110 -18.529 -8.244 3.964 1.00 13.13 H new ATOM 1663 N PRO A 111 -17.485 -4.029 4.263 1.00 42.41 N ATOM 1664 CA PRO A 111 -17.255 -2.637 4.613 1.00 33.33 C ATOM 1665 C PRO A 111 -16.101 -2.509 5.605 1.00 73.54 C ATOM 1666 O PRO A 111 -15.945 -3.345 6.508 1.00 31.01 O ATOM 1667 CB PRO A 111 -18.571 -2.216 5.301 1.00 75.41 C ATOM 1668 CG PRO A 111 -19.511 -3.351 5.067 1.00 12.34 C ATOM 1669 CD PRO A 111 -18.662 -4.558 4.934 1.00 44.41 C ATOM 0 HA PRO A 111 -16.996 -2.028 3.747 1.00 33.33 H new ATOM 0 HB2 PRO A 111 -18.421 -2.042 6.366 1.00 75.41 H new ATOM 0 HB3 PRO A 111 -18.958 -1.289 4.878 1.00 75.41 H new ATOM 0 HG2 PRO A 111 -20.212 -3.455 5.895 1.00 12.34 H new ATOM 0 HG3 PRO A 111 -20.104 -3.189 4.167 1.00 12.34 H new ATOM 0 HD2 PRO A 111 -18.418 -4.994 5.903 1.00 44.41 H new ATOM 0 HD3 PRO A 111 -19.150 -5.337 4.348 1.00 44.41 H new ATOM 1677 N LYS A 112 -15.299 -1.505 5.429 1.00 51.23 N ATOM 1678 CA LYS A 112 -14.263 -1.190 6.353 1.00 15.12 C ATOM 1679 C LYS A 112 -14.736 0.037 7.057 1.00 32.44 C ATOM 1680 O LYS A 112 -14.801 1.086 6.442 1.00 23.21 O ATOM 1681 CB LYS A 112 -12.961 -0.911 5.627 1.00 14.41 C ATOM 1682 CG LYS A 112 -11.803 -0.698 6.589 1.00 20.32 C ATOM 1683 CD LYS A 112 -10.496 -0.612 5.872 1.00 1.12 C ATOM 1684 CE LYS A 112 -10.463 0.497 4.848 1.00 31.12 C ATOM 1685 NZ LYS A 112 -10.561 1.876 5.434 1.00 43.45 N ATOM 0 H LYS A 112 -15.349 -0.875 4.628 1.00 51.23 H new ATOM 0 HA LYS A 112 -14.068 -2.013 7.040 1.00 15.12 H new ATOM 0 HB2 LYS A 112 -12.731 -1.744 4.963 1.00 14.41 H new ATOM 0 HB3 LYS A 112 -13.078 -0.027 5.000 1.00 14.41 H new ATOM 0 HG2 LYS A 112 -11.967 0.217 7.158 1.00 20.32 H new ATOM 0 HG3 LYS A 112 -11.771 -1.518 7.307 1.00 20.32 H new ATOM 0 HD2 LYS A 112 -9.698 -0.454 6.598 1.00 1.12 H new ATOM 0 HD3 LYS A 112 -10.294 -1.563 5.378 1.00 1.12 H new ATOM 0 HE2 LYS A 112 -9.538 0.422 4.276 1.00 31.12 H new ATOM 0 HE3 LYS A 112 -11.284 0.353 4.146 1.00 31.12 H new ATOM 0 HZ1 LYS A 112 -10.036 2.545 4.836 1.00 43.45 H new ATOM 0 HZ2 LYS A 112 -11.559 2.163 5.481 1.00 43.45 H new ATOM 0 HZ3 LYS A 112 -10.156 1.876 6.392 1.00 43.45 H new ATOM 2166 N GLY B 21 -8.279 -5.880 9.103 1.00 10.22 N ATOM 2167 CA GLY B 21 -9.696 -5.956 8.862 1.00 71.24 C ATOM 2168 C GLY B 21 -10.169 -7.297 9.325 1.00 41.42 C ATOM 2169 O GLY B 21 -10.127 -7.571 10.516 1.00 24.01 O ATOM 0 HA2 GLY B 21 -10.217 -5.162 9.397 1.00 71.24 H new ATOM 0 HA3 GLY B 21 -9.911 -5.821 7.802 1.00 71.24 H new ATOM 2173 N PRO B 22 -10.611 -8.170 8.407 1.00 13.25 N ATOM 2174 CA PRO B 22 -10.946 -9.565 8.732 1.00 12.22 C ATOM 2175 C PRO B 22 -9.787 -10.347 9.455 1.00 72.35 C ATOM 2176 O PRO B 22 -10.070 -11.149 10.347 1.00 34.10 O ATOM 2177 CB PRO B 22 -11.273 -10.188 7.370 1.00 4.51 C ATOM 2178 CG PRO B 22 -11.719 -9.035 6.546 1.00 40.30 C ATOM 2179 CD PRO B 22 -10.886 -7.861 6.989 1.00 34.43 C ATOM 0 HA PRO B 22 -11.769 -9.614 9.445 1.00 12.22 H new ATOM 0 HB2 PRO B 22 -10.401 -10.676 6.935 1.00 4.51 H new ATOM 0 HB3 PRO B 22 -12.053 -10.944 7.454 1.00 4.51 H new ATOM 0 HG2 PRO B 22 -11.576 -9.236 5.484 1.00 40.30 H new ATOM 0 HG3 PRO B 22 -12.781 -8.838 6.693 1.00 40.30 H new ATOM 0 HD2 PRO B 22 -9.967 -7.775 6.408 1.00 34.43 H new ATOM 0 HD3 PRO B 22 -11.423 -6.919 6.877 1.00 34.43 H new ATOM 2187 N PRO B 23 -8.461 -10.179 9.058 1.00 54.23 N ATOM 2188 CA PRO B 23 -7.359 -10.792 9.805 1.00 72.11 C ATOM 2189 C PRO B 23 -7.298 -10.266 11.242 1.00 2.34 C ATOM 2190 O PRO B 23 -7.430 -9.053 11.488 1.00 54.31 O ATOM 2191 CB PRO B 23 -6.099 -10.362 9.040 1.00 31.40 C ATOM 2192 CG PRO B 23 -6.583 -10.023 7.682 1.00 65.12 C ATOM 2193 CD PRO B 23 -7.950 -9.448 7.873 1.00 31.34 C ATOM 0 HA PRO B 23 -7.472 -11.874 9.877 1.00 72.11 H new ATOM 0 HB2 PRO B 23 -5.620 -9.506 9.515 1.00 31.40 H new ATOM 0 HB3 PRO B 23 -5.361 -11.164 9.009 1.00 31.40 H new ATOM 0 HG2 PRO B 23 -5.920 -9.306 7.198 1.00 65.12 H new ATOM 0 HG3 PRO B 23 -6.615 -10.907 7.046 1.00 65.12 H new ATOM 0 HD2 PRO B 23 -7.914 -8.373 8.048 1.00 31.34 H new ATOM 0 HD3 PRO B 23 -8.580 -9.608 6.998 1.00 31.34 H new ATOM 2201 N GLN B 24 -7.100 -11.176 12.163 1.00 32.24 N ATOM 2202 CA GLN B 24 -7.054 -10.874 13.583 1.00 10.32 C ATOM 2203 C GLN B 24 -5.840 -10.018 13.917 1.00 73.05 C ATOM 2204 O GLN B 24 -4.752 -10.240 13.353 1.00 54.23 O ATOM 2205 CB GLN B 24 -6.964 -12.166 14.380 1.00 53.35 C ATOM 2206 CG GLN B 24 -8.081 -13.146 14.119 1.00 60.12 C ATOM 2207 CD GLN B 24 -7.900 -14.410 14.908 1.00 52.04 C ATOM 2208 OE1 GLN B 24 -7.252 -15.349 14.449 1.00 40.22 O ATOM 2209 NE2 GLN B 24 -8.443 -14.452 16.091 1.00 74.24 N ATOM 0 H GLN B 24 -6.964 -12.164 11.950 1.00 32.24 H new ATOM 0 HA GLN B 24 -7.962 -10.329 13.841 1.00 10.32 H new ATOM 0 HB2 GLN B 24 -6.014 -12.650 14.155 1.00 53.35 H new ATOM 0 HB3 GLN B 24 -6.954 -11.922 15.442 1.00 53.35 H new ATOM 0 HG2 GLN B 24 -9.036 -12.688 14.378 1.00 60.12 H new ATOM 0 HG3 GLN B 24 -8.118 -13.382 13.055 1.00 60.12 H new ATOM 0 HE21 GLN B 24 -8.974 -13.653 16.437 1.00 74.24 H new ATOM 0 HE22 GLN B 24 -8.338 -15.284 16.671 1.00 74.24 H new ATOM 2218 N PRO B 25 -6.000 -9.038 14.832 1.00 55.24 N ATOM 2219 CA PRO B 25 -4.902 -8.187 15.275 1.00 20.23 C ATOM 2220 C PRO B 25 -3.788 -9.008 15.883 1.00 12.40 C ATOM 2221 O PRO B 25 -3.975 -9.699 16.900 1.00 63.30 O ATOM 2222 CB PRO B 25 -5.514 -7.279 16.343 1.00 51.21 C ATOM 2223 CG PRO B 25 -6.984 -7.383 16.169 1.00 62.13 C ATOM 2224 CD PRO B 25 -7.264 -8.699 15.500 1.00 14.01 C ATOM 0 HA PRO B 25 -4.468 -7.631 14.444 1.00 20.23 H new ATOM 0 HB2 PRO B 25 -5.215 -7.595 17.343 1.00 51.21 H new ATOM 0 HB3 PRO B 25 -5.178 -6.249 16.220 1.00 51.21 H new ATOM 0 HG2 PRO B 25 -7.490 -7.327 17.133 1.00 62.13 H new ATOM 0 HG3 PRO B 25 -7.359 -6.557 15.564 1.00 62.13 H new ATOM 0 HD2 PRO B 25 -7.549 -9.462 16.225 1.00 14.01 H new ATOM 0 HD3 PRO B 25 -8.083 -8.617 14.785 1.00 14.01 H new ATOM 2232 N LEU B 26 -2.663 -8.954 15.243 1.00 51.21 N ATOM 2233 CA LEU B 26 -1.484 -9.670 15.666 1.00 31.03 C ATOM 2234 C LEU B 26 -0.930 -9.135 16.987 1.00 12.42 C ATOM 2235 O LEU B 26 -1.228 -8.000 17.390 1.00 44.35 O ATOM 2236 CB LEU B 26 -0.407 -9.796 14.529 1.00 31.31 C ATOM 2237 CG LEU B 26 0.166 -8.510 13.841 1.00 21.25 C ATOM 2238 CD1 LEU B 26 -0.888 -7.671 13.147 1.00 41.03 C ATOM 2239 CD2 LEU B 26 0.977 -7.676 14.790 1.00 32.33 C ATOM 0 H LEU B 26 -2.528 -8.403 14.395 1.00 51.21 H new ATOM 0 HA LEU B 26 -1.793 -10.695 15.871 1.00 31.03 H new ATOM 0 HB2 LEU B 26 0.438 -10.345 14.944 1.00 31.31 H new ATOM 0 HB3 LEU B 26 -0.837 -10.418 13.744 1.00 31.31 H new ATOM 0 HG LEU B 26 0.830 -8.878 13.059 1.00 21.25 H new ATOM 0 HD11 LEU B 26 -0.418 -6.798 12.694 1.00 41.03 H new ATOM 0 HD12 LEU B 26 -1.374 -8.265 12.372 1.00 41.03 H new ATOM 0 HD13 LEU B 26 -1.632 -7.346 13.875 1.00 41.03 H new ATOM 0 HD21 LEU B 26 1.354 -6.795 14.270 1.00 32.33 H new ATOM 0 HD22 LEU B 26 0.351 -7.363 15.626 1.00 32.33 H new ATOM 0 HD23 LEU B 26 1.816 -8.263 15.164 1.00 32.33 H new ATOM 2251 N SER B 27 -0.128 -9.932 17.645 1.00 40.02 N ATOM 2252 CA SER B 27 0.343 -9.603 18.962 1.00 52.44 C ATOM 2253 C SER B 27 1.550 -8.641 18.930 1.00 74.10 C ATOM 2254 O SER B 27 2.190 -8.440 17.889 1.00 41.44 O ATOM 2255 CB SER B 27 0.660 -10.893 19.741 1.00 2.03 C ATOM 2256 OG SER B 27 1.022 -10.629 21.089 1.00 1.42 O ATOM 0 H SER B 27 0.214 -10.822 17.284 1.00 40.02 H new ATOM 0 HA SER B 27 -0.452 -9.069 19.482 1.00 52.44 H new ATOM 0 HB2 SER B 27 -0.209 -11.550 19.722 1.00 2.03 H new ATOM 0 HB3 SER B 27 1.472 -11.425 19.246 1.00 2.03 H new ATOM 0 HG SER B 27 1.213 -11.474 21.548 1.00 1.42 H new ATOM 2262 N ALA B 28 1.820 -8.059 20.090 1.00 52.53 N ATOM 2263 CA ALA B 28 2.898 -7.088 20.305 1.00 33.33 C ATOM 2264 C ALA B 28 4.265 -7.610 19.838 1.00 32.40 C ATOM 2265 O ALA B 28 5.063 -6.863 19.270 1.00 24.22 O ATOM 2266 CB ALA B 28 2.960 -6.687 21.771 1.00 31.32 C ATOM 0 H ALA B 28 1.283 -8.251 20.936 1.00 52.53 H new ATOM 0 HA ALA B 28 2.666 -6.213 19.697 1.00 33.33 H new ATOM 0 HB1 ALA B 28 3.764 -5.966 21.917 1.00 31.32 H new ATOM 0 HB2 ALA B 28 2.012 -6.238 22.066 1.00 31.32 H new ATOM 0 HB3 ALA B 28 3.149 -7.570 22.382 1.00 31.32 H new ATOM 2272 N GLU B 29 4.529 -8.890 20.063 1.00 45.01 N ATOM 2273 CA GLU B 29 5.813 -9.464 19.679 1.00 1.11 C ATOM 2274 C GLU B 29 5.955 -9.554 18.168 1.00 71.11 C ATOM 2275 O GLU B 29 7.046 -9.331 17.628 1.00 72.24 O ATOM 2276 CB GLU B 29 6.062 -10.804 20.353 1.00 13.11 C ATOM 2277 CG GLU B 29 6.012 -10.691 21.859 1.00 54.00 C ATOM 2278 CD GLU B 29 6.677 -11.817 22.570 1.00 1.13 C ATOM 2279 OE1 GLU B 29 7.898 -11.783 22.747 1.00 2.01 O ATOM 2280 OE2 GLU B 29 5.988 -12.734 22.991 1.00 52.11 O ATOM 0 H GLU B 29 3.882 -9.544 20.503 1.00 45.01 H new ATOM 0 HA GLU B 29 6.587 -8.785 20.036 1.00 1.11 H new ATOM 0 HB2 GLU B 29 5.316 -11.524 20.017 1.00 13.11 H new ATOM 0 HB3 GLU B 29 7.036 -11.189 20.049 1.00 13.11 H new ATOM 0 HG2 GLU B 29 6.484 -9.755 22.159 1.00 54.00 H new ATOM 0 HG3 GLU B 29 4.970 -10.639 22.175 1.00 54.00 H new ATOM 2287 N GLU B 30 4.849 -9.852 17.492 1.00 40.54 N ATOM 2288 CA GLU B 30 4.827 -9.864 16.039 1.00 51.22 C ATOM 2289 C GLU B 30 5.128 -8.496 15.493 1.00 22.43 C ATOM 2290 O GLU B 30 5.804 -8.377 14.480 1.00 42.22 O ATOM 2291 CB GLU B 30 3.491 -10.362 15.475 1.00 73.34 C ATOM 2292 CG GLU B 30 3.279 -11.867 15.507 1.00 52.14 C ATOM 2293 CD GLU B 30 3.354 -12.475 16.873 1.00 33.14 C ATOM 2294 OE1 GLU B 30 2.451 -12.268 17.665 1.00 30.35 O ATOM 2295 OE2 GLU B 30 4.314 -13.183 17.155 1.00 23.14 O ATOM 0 H GLU B 30 3.959 -10.088 17.930 1.00 40.54 H new ATOM 0 HA GLU B 30 5.600 -10.564 15.722 1.00 51.22 H new ATOM 0 HB2 GLU B 30 2.683 -9.888 16.033 1.00 73.34 H new ATOM 0 HB3 GLU B 30 3.406 -10.024 14.442 1.00 73.34 H new ATOM 0 HG2 GLU B 30 2.304 -12.093 15.075 1.00 52.14 H new ATOM 0 HG3 GLU B 30 4.027 -12.340 14.871 1.00 52.14 H new ATOM 2302 N LYS B 31 4.666 -7.457 16.192 1.00 71.14 N ATOM 2303 CA LYS B 31 4.909 -6.101 15.750 1.00 75.24 C ATOM 2304 C LYS B 31 6.371 -5.782 15.818 1.00 32.52 C ATOM 2305 O LYS B 31 6.952 -5.356 14.838 1.00 41.12 O ATOM 2306 CB LYS B 31 4.088 -5.084 16.546 1.00 2.21 C ATOM 2307 CG LYS B 31 2.611 -5.119 16.231 1.00 44.42 C ATOM 2308 CD LYS B 31 1.825 -4.131 17.067 1.00 32.12 C ATOM 2309 CE LYS B 31 0.361 -4.083 16.633 1.00 43.34 C ATOM 2310 NZ LYS B 31 0.195 -3.562 15.247 1.00 5.34 N ATOM 0 H LYS B 31 4.129 -7.536 17.055 1.00 71.14 H new ATOM 0 HA LYS B 31 4.585 -6.030 14.712 1.00 75.24 H new ATOM 0 HB2 LYS B 31 4.228 -5.270 17.611 1.00 2.21 H new ATOM 0 HB3 LYS B 31 4.470 -4.083 16.344 1.00 2.21 H new ATOM 0 HG2 LYS B 31 2.461 -4.898 15.174 1.00 44.42 H new ATOM 0 HG3 LYS B 31 2.228 -6.125 16.404 1.00 44.42 H new ATOM 0 HD2 LYS B 31 1.886 -4.411 18.119 1.00 32.12 H new ATOM 0 HD3 LYS B 31 2.267 -3.139 16.974 1.00 32.12 H new ATOM 0 HE2 LYS B 31 -0.066 -5.084 16.695 1.00 43.34 H new ATOM 0 HE3 LYS B 31 -0.199 -3.453 17.324 1.00 43.34 H new ATOM 0 HZ1 LYS B 31 -0.798 -3.293 15.094 1.00 5.34 H new ATOM 0 HZ2 LYS B 31 0.804 -2.729 15.114 1.00 5.34 H new ATOM 0 HZ3 LYS B 31 0.463 -4.299 14.564 1.00 5.34 H new ATOM 2324 N LYS B 32 6.985 -6.032 16.961 1.00 5.52 N ATOM 2325 CA LYS B 32 8.404 -5.826 17.117 1.00 53.44 C ATOM 2326 C LYS B 32 9.256 -6.540 16.074 1.00 53.33 C ATOM 2327 O LYS B 32 10.274 -6.009 15.643 1.00 45.45 O ATOM 2328 CB LYS B 32 8.820 -6.146 18.521 1.00 50.35 C ATOM 2329 CG LYS B 32 8.318 -5.089 19.475 1.00 12.45 C ATOM 2330 CD LYS B 32 8.526 -5.455 20.906 1.00 1.20 C ATOM 2331 CE LYS B 32 7.681 -6.626 21.281 1.00 24.21 C ATOM 2332 NZ LYS B 32 7.674 -6.832 22.745 1.00 24.25 N ATOM 0 H LYS B 32 6.515 -6.380 17.797 1.00 5.52 H new ATOM 0 HA LYS B 32 8.593 -4.769 16.932 1.00 53.44 H new ATOM 0 HB2 LYS B 32 8.427 -7.121 18.810 1.00 50.35 H new ATOM 0 HB3 LYS B 32 9.907 -6.210 18.579 1.00 50.35 H new ATOM 0 HG2 LYS B 32 8.827 -4.148 19.268 1.00 12.45 H new ATOM 0 HG3 LYS B 32 7.255 -4.922 19.298 1.00 12.45 H new ATOM 0 HD2 LYS B 32 9.577 -5.689 21.077 1.00 1.20 H new ATOM 0 HD3 LYS B 32 8.281 -4.605 21.543 1.00 1.20 H new ATOM 0 HE2 LYS B 32 6.662 -6.470 20.928 1.00 24.21 H new ATOM 0 HE3 LYS B 32 8.056 -7.522 20.787 1.00 24.21 H new ATOM 0 HZ1 LYS B 32 7.079 -7.653 22.977 1.00 24.25 H new ATOM 0 HZ2 LYS B 32 8.645 -7.004 23.076 1.00 24.25 H new ATOM 0 HZ3 LYS B 32 7.293 -5.985 23.213 1.00 24.25 H new ATOM 2346 N GLU B 33 8.832 -7.726 15.660 1.00 52.53 N ATOM 2347 CA GLU B 33 9.513 -8.441 14.588 1.00 4.13 C ATOM 2348 C GLU B 33 9.312 -7.776 13.236 1.00 53.34 C ATOM 2349 O GLU B 33 10.263 -7.585 12.494 1.00 62.03 O ATOM 2350 CB GLU B 33 9.086 -9.906 14.519 1.00 51.01 C ATOM 2351 CG GLU B 33 9.666 -10.769 15.612 1.00 54.24 C ATOM 2352 CD GLU B 33 11.169 -10.875 15.507 1.00 23.12 C ATOM 2353 OE1 GLU B 33 11.660 -11.693 14.709 1.00 14.24 O ATOM 2354 OE2 GLU B 33 11.882 -10.153 16.231 1.00 74.34 O ATOM 0 H GLU B 33 8.023 -8.212 16.048 1.00 52.53 H new ATOM 0 HA GLU B 33 10.575 -8.404 14.829 1.00 4.13 H new ATOM 0 HB2 GLU B 33 7.998 -9.959 14.568 1.00 51.01 H new ATOM 0 HB3 GLU B 33 9.382 -10.314 13.553 1.00 51.01 H new ATOM 0 HG2 GLU B 33 9.398 -10.353 16.583 1.00 54.24 H new ATOM 0 HG3 GLU B 33 9.227 -11.765 15.560 1.00 54.24 H new ATOM 2361 N ILE B 34 8.090 -7.436 12.919 1.00 62.03 N ATOM 2362 CA ILE B 34 7.788 -6.852 11.615 1.00 25.45 C ATOM 2363 C ILE B 34 8.320 -5.424 11.463 1.00 41.20 C ATOM 2364 O ILE B 34 8.816 -5.074 10.402 1.00 11.42 O ATOM 2365 CB ILE B 34 6.301 -6.973 11.209 1.00 71.42 C ATOM 2366 CG1 ILE B 34 5.423 -6.294 12.256 1.00 2.21 C ATOM 2367 CG2 ILE B 34 5.916 -8.445 11.033 1.00 24.55 C ATOM 2368 CD1 ILE B 34 3.956 -6.520 12.079 1.00 15.02 C ATOM 0 H ILE B 34 7.284 -7.548 13.534 1.00 62.03 H new ATOM 0 HA ILE B 34 8.337 -7.464 10.899 1.00 25.45 H new ATOM 0 HB ILE B 34 6.146 -6.471 10.254 1.00 71.42 H new ATOM 0 HG12 ILE B 34 5.716 -6.651 13.243 1.00 2.21 H new ATOM 0 HG13 ILE B 34 5.617 -5.222 12.234 1.00 2.21 H new ATOM 0 HG21 ILE B 34 4.866 -8.515 10.747 1.00 24.55 H new ATOM 0 HG22 ILE B 34 6.535 -8.892 10.255 1.00 24.55 H new ATOM 0 HG23 ILE B 34 6.073 -8.977 11.971 1.00 24.55 H new ATOM 0 HD11 ILE B 34 3.410 -6.001 12.867 1.00 15.02 H new ATOM 0 HD12 ILE B 34 3.643 -6.136 11.108 1.00 15.02 H new ATOM 0 HD13 ILE B 34 3.743 -7.588 12.133 1.00 15.02 H new ATOM 2380 N ASP B 35 8.294 -4.632 12.561 1.00 72.40 N ATOM 2381 CA ASP B 35 8.783 -3.222 12.551 1.00 33.12 C ATOM 2382 C ASP B 35 10.204 -3.142 12.062 1.00 21.55 C ATOM 2383 O ASP B 35 10.591 -2.196 11.387 1.00 31.20 O ATOM 2384 CB ASP B 35 8.756 -2.597 13.972 1.00 61.11 C ATOM 2385 CG ASP B 35 7.476 -1.882 14.366 1.00 21.31 C ATOM 2386 OD1 ASP B 35 6.461 -2.535 14.694 1.00 20.23 O ATOM 2387 OD2 ASP B 35 7.500 -0.626 14.397 1.00 30.32 O ATOM 0 H ASP B 35 7.941 -4.940 13.467 1.00 72.40 H new ATOM 0 HA ASP B 35 8.115 -2.676 11.885 1.00 33.12 H new ATOM 0 HB2 ASP B 35 8.944 -3.388 14.698 1.00 61.11 H new ATOM 0 HB3 ASP B 35 9.582 -1.890 14.051 1.00 61.11 H new ATOM 2392 N LYS B 36 10.967 -4.141 12.411 1.00 73.25 N ATOM 2393 CA LYS B 36 12.365 -4.221 12.064 1.00 41.51 C ATOM 2394 C LYS B 36 12.595 -4.299 10.550 1.00 74.01 C ATOM 2395 O LYS B 36 13.557 -3.744 10.036 1.00 60.22 O ATOM 2396 CB LYS B 36 12.964 -5.490 12.684 1.00 34.54 C ATOM 2397 CG LYS B 36 12.939 -5.566 14.191 1.00 44.23 C ATOM 2398 CD LYS B 36 13.442 -6.926 14.655 1.00 12.10 C ATOM 2399 CE LYS B 36 13.440 -7.033 16.158 1.00 22.10 C ATOM 2400 NZ LYS B 36 13.843 -8.382 16.622 1.00 71.51 N ATOM 0 H LYS B 36 10.632 -4.937 12.954 1.00 73.25 H new ATOM 0 HA LYS B 36 12.837 -3.314 12.442 1.00 41.51 H new ATOM 0 HB2 LYS B 36 12.427 -6.352 12.288 1.00 34.54 H new ATOM 0 HB3 LYS B 36 13.999 -5.579 12.353 1.00 34.54 H new ATOM 0 HG2 LYS B 36 13.561 -4.776 14.613 1.00 44.23 H new ATOM 0 HG3 LYS B 36 11.925 -5.401 14.554 1.00 44.23 H new ATOM 0 HD2 LYS B 36 12.814 -7.711 14.233 1.00 12.10 H new ATOM 0 HD3 LYS B 36 14.452 -7.089 14.279 1.00 12.10 H new ATOM 0 HE2 LYS B 36 14.119 -6.289 16.575 1.00 22.10 H new ATOM 0 HE3 LYS B 36 12.444 -6.803 16.536 1.00 22.10 H new ATOM 0 HZ1 LYS B 36 14.090 -8.342 17.631 1.00 71.51 H new ATOM 0 HZ2 LYS B 36 13.055 -9.046 16.484 1.00 71.51 H new ATOM 0 HZ3 LYS B 36 14.667 -8.705 16.076 1.00 71.51 H new ATOM 2414 N ARG B 37 11.711 -4.961 9.845 1.00 64.13 N ATOM 2415 CA ARG B 37 11.993 -5.377 8.479 1.00 32.33 C ATOM 2416 C ARG B 37 11.172 -4.652 7.405 1.00 23.01 C ATOM 2417 O ARG B 37 11.265 -4.981 6.220 1.00 14.10 O ATOM 2418 CB ARG B 37 11.768 -6.882 8.431 1.00 21.15 C ATOM 2419 CG ARG B 37 12.686 -7.613 9.397 1.00 44.12 C ATOM 2420 CD ARG B 37 11.957 -8.645 10.251 1.00 73.14 C ATOM 2421 NE ARG B 37 11.468 -9.810 9.519 1.00 10.11 N ATOM 2422 CZ ARG B 37 10.386 -10.526 9.857 1.00 52.53 C ATOM 2423 NH1 ARG B 37 9.564 -10.089 10.807 1.00 44.51 N ATOM 2424 NH2 ARG B 37 10.122 -11.674 9.237 1.00 0.32 N ATOM 0 H ARG B 37 10.788 -5.227 10.188 1.00 64.13 H new ATOM 0 HA ARG B 37 13.021 -5.107 8.237 1.00 32.33 H new ATOM 0 HB2 ARG B 37 10.729 -7.104 8.676 1.00 21.15 H new ATOM 0 HB3 ARG B 37 11.941 -7.245 7.418 1.00 21.15 H new ATOM 0 HG2 ARG B 37 13.476 -8.110 8.833 1.00 44.12 H new ATOM 0 HG3 ARG B 37 13.169 -6.886 10.050 1.00 44.12 H new ATOM 0 HD2 ARG B 37 12.630 -8.984 11.039 1.00 73.14 H new ATOM 0 HD3 ARG B 37 11.112 -8.160 10.740 1.00 73.14 H new ATOM 0 HE ARG B 37 11.987 -10.100 8.690 1.00 10.11 H new ATOM 0 HH11 ARG B 37 9.756 -9.206 11.281 1.00 44.51 H new ATOM 0 HH12 ARG B 37 8.742 -10.636 11.061 1.00 44.51 H new ATOM 0 HH21 ARG B 37 10.744 -12.012 8.502 1.00 0.32 H new ATOM 0 HH22 ARG B 37 9.298 -12.216 9.497 1.00 0.32 H new ATOM 2438 N SER B 38 10.403 -3.683 7.800 1.00 72.10 N ATOM 2439 CA SER B 38 9.561 -2.956 6.853 1.00 75.10 C ATOM 2440 C SER B 38 10.204 -1.632 6.367 1.00 34.00 C ATOM 2441 O SER B 38 11.042 -1.031 7.067 1.00 71.21 O ATOM 2442 CB SER B 38 8.204 -2.700 7.485 1.00 73.45 C ATOM 2443 OG SER B 38 7.657 -3.903 7.993 1.00 41.25 O ATOM 0 H SER B 38 10.330 -3.366 8.767 1.00 72.10 H new ATOM 0 HA SER B 38 9.445 -3.577 5.965 1.00 75.10 H new ATOM 0 HB2 SER B 38 8.303 -1.971 8.289 1.00 73.45 H new ATOM 0 HB3 SER B 38 7.528 -2.270 6.746 1.00 73.45 H new ATOM 0 HG SER B 38 6.683 -3.890 7.887 1.00 41.25 H new ATOM 2449 N VAL B 39 9.786 -1.191 5.170 1.00 22.22 N ATOM 2450 CA VAL B 39 10.256 0.044 4.524 1.00 5.02 C ATOM 2451 C VAL B 39 9.123 0.814 3.834 1.00 20.43 C ATOM 2452 O VAL B 39 8.039 0.288 3.608 1.00 33.21 O ATOM 2453 CB VAL B 39 11.432 -0.138 3.496 1.00 41.43 C ATOM 2454 CG1 VAL B 39 12.714 -0.447 4.199 1.00 21.23 C ATOM 2455 CG2 VAL B 39 11.145 -1.237 2.521 1.00 24.13 C ATOM 0 H VAL B 39 9.096 -1.695 4.612 1.00 22.22 H new ATOM 0 HA VAL B 39 10.648 0.617 5.364 1.00 5.02 H new ATOM 0 HB VAL B 39 11.525 0.804 2.956 1.00 41.43 H new ATOM 0 HG11 VAL B 39 13.511 -0.568 3.466 1.00 21.23 H new ATOM 0 HG12 VAL B 39 12.964 0.370 4.875 1.00 21.23 H new ATOM 0 HG13 VAL B 39 12.603 -1.369 4.770 1.00 21.23 H new ATOM 0 HG21 VAL B 39 11.979 -1.334 1.826 1.00 24.13 H new ATOM 0 HG22 VAL B 39 11.010 -2.175 3.059 1.00 24.13 H new ATOM 0 HG23 VAL B 39 10.236 -1.003 1.966 1.00 24.13 H new ATOM 2465 N TYR B 40 9.419 2.051 3.517 1.00 53.34 N ATOM 2466 CA TYR B 40 8.557 3.000 2.848 1.00 14.01 C ATOM 2467 C TYR B 40 9.130 3.298 1.506 1.00 24.31 C ATOM 2468 O TYR B 40 10.283 3.631 1.404 1.00 24.03 O ATOM 2469 CB TYR B 40 8.487 4.318 3.653 1.00 54.32 C ATOM 2470 CG TYR B 40 8.029 5.546 2.842 1.00 60.00 C ATOM 2471 CD1 TYR B 40 6.718 5.691 2.406 1.00 15.44 C ATOM 2472 CD2 TYR B 40 8.936 6.548 2.505 1.00 55.35 C ATOM 2473 CE1 TYR B 40 6.324 6.788 1.673 1.00 1.45 C ATOM 2474 CE2 TYR B 40 8.545 7.650 1.770 1.00 13.02 C ATOM 2475 CZ TYR B 40 7.237 7.762 1.358 1.00 73.42 C ATOM 2476 OH TYR B 40 6.836 8.861 0.630 1.00 50.24 O ATOM 0 H TYR B 40 10.332 2.451 3.734 1.00 53.34 H new ATOM 0 HA TYR B 40 7.557 2.576 2.760 1.00 14.01 H new ATOM 0 HB2 TYR B 40 7.805 4.179 4.492 1.00 54.32 H new ATOM 0 HB3 TYR B 40 9.472 4.524 4.073 1.00 54.32 H new ATOM 0 HD1 TYR B 40 5.993 4.928 2.647 1.00 15.44 H new ATOM 0 HD2 TYR B 40 9.964 6.462 2.824 1.00 55.35 H new ATOM 0 HE1 TYR B 40 5.299 6.881 1.347 1.00 1.45 H new ATOM 0 HE2 TYR B 40 9.261 8.419 1.520 1.00 13.02 H new ATOM 0 HH TYR B 40 7.600 9.458 0.491 1.00 50.24 H new ATOM 2486 N VAL B 41 8.344 3.150 0.505 1.00 15.43 N ATOM 2487 CA VAL B 41 8.716 3.476 -0.832 1.00 62.23 C ATOM 2488 C VAL B 41 7.751 4.516 -1.353 1.00 43.34 C ATOM 2489 O VAL B 41 6.562 4.251 -1.497 1.00 24.33 O ATOM 2490 CB VAL B 41 8.640 2.224 -1.713 1.00 33.34 C ATOM 2491 CG1 VAL B 41 9.023 2.529 -3.157 1.00 22.03 C ATOM 2492 CG2 VAL B 41 9.493 1.121 -1.136 1.00 14.41 C ATOM 0 H VAL B 41 7.394 2.788 0.590 1.00 15.43 H new ATOM 0 HA VAL B 41 9.736 3.860 -0.852 1.00 62.23 H new ATOM 0 HB VAL B 41 7.605 1.882 -1.725 1.00 33.34 H new ATOM 0 HG11 VAL B 41 8.957 1.618 -3.751 1.00 22.03 H new ATOM 0 HG12 VAL B 41 8.342 3.277 -3.564 1.00 22.03 H new ATOM 0 HG13 VAL B 41 10.043 2.911 -3.190 1.00 22.03 H new ATOM 0 HG21 VAL B 41 9.428 0.239 -1.774 1.00 14.41 H new ATOM 0 HG22 VAL B 41 10.530 1.453 -1.081 1.00 14.41 H new ATOM 0 HG23 VAL B 41 9.139 0.872 -0.136 1.00 14.41 H new ATOM 2502 N GLY B 42 8.230 5.684 -1.608 1.00 41.43 N ATOM 2503 CA GLY B 42 7.359 6.717 -2.049 1.00 23.05 C ATOM 2504 C GLY B 42 7.635 7.162 -3.456 1.00 13.11 C ATOM 2505 O GLY B 42 8.637 6.761 -4.060 1.00 54.33 O ATOM 0 H GLY B 42 9.212 5.947 -1.520 1.00 41.43 H new ATOM 0 HA2 GLY B 42 6.328 6.369 -1.980 1.00 23.05 H new ATOM 0 HA3 GLY B 42 7.452 7.572 -1.379 1.00 23.05 H new ATOM 2509 N ASN B 43 6.757 8.038 -3.936 1.00 42.05 N ATOM 2510 CA ASN B 43 6.771 8.627 -5.293 1.00 13.33 C ATOM 2511 C ASN B 43 6.545 7.573 -6.411 1.00 62.21 C ATOM 2512 O ASN B 43 6.873 7.795 -7.575 1.00 53.10 O ATOM 2513 CB ASN B 43 8.059 9.454 -5.527 1.00 52.44 C ATOM 2514 CG ASN B 43 7.982 10.322 -6.779 1.00 24.53 C ATOM 2515 OD1 ASN B 43 6.902 10.758 -7.185 1.00 63.54 O ATOM 2516 ND2 ASN B 43 9.098 10.593 -7.382 1.00 63.33 N ATOM 0 H ASN B 43 5.977 8.379 -3.373 1.00 42.05 H new ATOM 0 HA ASN B 43 5.922 9.308 -5.351 1.00 13.33 H new ATOM 0 HB2 ASN B 43 8.240 10.089 -4.660 1.00 52.44 H new ATOM 0 HB3 ASN B 43 8.910 8.778 -5.610 1.00 52.44 H new ATOM 0 HD21 ASN B 43 9.098 11.181 -8.215 1.00 63.33 H new ATOM 0 HD22 ASN B 43 9.976 10.218 -7.023 1.00 63.33 H new ATOM 2523 N VAL B 44 5.958 6.447 -6.054 1.00 24.45 N ATOM 2524 CA VAL B 44 5.584 5.456 -7.055 1.00 44.33 C ATOM 2525 C VAL B 44 4.422 6.002 -7.891 1.00 1.52 C ATOM 2526 O VAL B 44 3.382 6.414 -7.360 1.00 11.45 O ATOM 2527 CB VAL B 44 5.286 4.039 -6.438 1.00 51.52 C ATOM 2528 CG1 VAL B 44 4.155 4.061 -5.441 1.00 12.03 C ATOM 2529 CG2 VAL B 44 5.024 3.013 -7.518 1.00 74.32 C ATOM 0 H VAL B 44 5.730 6.194 -5.093 1.00 24.45 H new ATOM 0 HA VAL B 44 6.437 5.288 -7.713 1.00 44.33 H new ATOM 0 HB VAL B 44 6.185 3.749 -5.893 1.00 51.52 H new ATOM 0 HG11 VAL B 44 3.996 3.056 -5.049 1.00 12.03 H new ATOM 0 HG12 VAL B 44 4.406 4.734 -4.621 1.00 12.03 H new ATOM 0 HG13 VAL B 44 3.245 4.408 -5.931 1.00 12.03 H new ATOM 0 HG21 VAL B 44 4.822 2.045 -7.059 1.00 74.32 H new ATOM 0 HG22 VAL B 44 4.163 3.321 -8.111 1.00 74.32 H new ATOM 0 HG23 VAL B 44 5.899 2.933 -8.163 1.00 74.32 H new ATOM 2539 N ASP B 45 4.631 6.047 -9.190 1.00 21.42 N ATOM 2540 CA ASP B 45 3.670 6.641 -10.101 1.00 31.21 C ATOM 2541 C ASP B 45 2.583 5.637 -10.421 1.00 1.41 C ATOM 2542 O ASP B 45 2.788 4.412 -10.253 1.00 75.00 O ATOM 2543 CB ASP B 45 4.384 7.118 -11.387 1.00 1.23 C ATOM 2544 CG ASP B 45 3.459 7.814 -12.368 1.00 61.13 C ATOM 2545 OD1 ASP B 45 3.146 9.011 -12.167 1.00 50.03 O ATOM 2546 OD2 ASP B 45 3.032 7.179 -13.361 1.00 61.30 O ATOM 0 H ASP B 45 5.466 5.676 -9.644 1.00 21.42 H new ATOM 0 HA ASP B 45 3.209 7.509 -9.629 1.00 31.21 H new ATOM 0 HB2 ASP B 45 5.191 7.799 -11.114 1.00 1.23 H new ATOM 0 HB3 ASP B 45 4.843 6.260 -11.878 1.00 1.23 H new ATOM 2551 N TYR B 46 1.434 6.124 -10.886 1.00 33.44 N ATOM 2552 CA TYR B 46 0.333 5.242 -11.159 1.00 33.24 C ATOM 2553 C TYR B 46 0.600 4.511 -12.450 1.00 33.24 C ATOM 2554 O TYR B 46 0.290 4.992 -13.546 1.00 1.13 O ATOM 2555 CB TYR B 46 -1.016 5.953 -11.217 1.00 74.03 C ATOM 2556 CG TYR B 46 -2.130 5.054 -10.731 1.00 71.32 C ATOM 2557 CD1 TYR B 46 -2.629 3.979 -11.491 1.00 5.12 C ATOM 2558 CD2 TYR B 46 -2.649 5.254 -9.469 1.00 25.34 C ATOM 2559 CE1 TYR B 46 -3.606 3.164 -10.985 1.00 71.44 C ATOM 2560 CE2 TYR B 46 -3.616 4.442 -8.954 1.00 74.03 C ATOM 2561 CZ TYR B 46 -4.098 3.389 -9.720 1.00 51.32 C ATOM 2562 OH TYR B 46 -5.049 2.543 -9.217 1.00 54.01 O ATOM 0 H TYR B 46 1.255 7.110 -11.075 1.00 33.44 H new ATOM 0 HA TYR B 46 0.263 4.540 -10.328 1.00 33.24 H new ATOM 0 HB2 TYR B 46 -0.981 6.855 -10.606 1.00 74.03 H new ATOM 0 HB3 TYR B 46 -1.220 6.268 -12.240 1.00 74.03 H new ATOM 0 HD1 TYR B 46 -2.238 3.796 -12.481 1.00 5.12 H new ATOM 0 HD2 TYR B 46 -2.280 6.075 -8.873 1.00 25.34 H new ATOM 0 HE1 TYR B 46 -3.989 2.346 -11.577 1.00 71.44 H new ATOM 0 HE2 TYR B 46 -4.003 4.616 -7.961 1.00 74.03 H new ATOM 0 HH TYR B 46 -5.931 2.964 -9.287 1.00 54.01 H new ATOM 2572 N GLY B 47 1.211 3.389 -12.315 1.00 51.35 N ATOM 2573 CA GLY B 47 1.593 2.616 -13.431 1.00 13.00 C ATOM 2574 C GLY B 47 2.520 1.526 -13.019 1.00 15.11 C ATOM 2575 O GLY B 47 2.709 0.569 -13.753 1.00 53.31 O ATOM 0 H GLY B 47 1.461 2.981 -11.414 1.00 51.35 H new ATOM 0 HA2 GLY B 47 0.709 2.190 -13.905 1.00 13.00 H new ATOM 0 HA3 GLY B 47 2.077 3.252 -14.173 1.00 13.00 H new ATOM 2579 N SER B 48 3.133 1.664 -11.849 1.00 23.22 N ATOM 2580 CA SER B 48 3.947 0.603 -11.362 1.00 74.22 C ATOM 2581 C SER B 48 3.036 -0.397 -10.654 1.00 74.30 C ATOM 2582 O SER B 48 2.042 -0.009 -10.020 1.00 21.23 O ATOM 2583 CB SER B 48 5.022 1.137 -10.416 1.00 15.41 C ATOM 2584 OG SER B 48 5.950 0.119 -10.059 1.00 62.32 O ATOM 0 H SER B 48 3.073 2.485 -11.247 1.00 23.22 H new ATOM 0 HA SER B 48 4.465 0.113 -12.187 1.00 74.22 H new ATOM 0 HB2 SER B 48 5.551 1.963 -10.892 1.00 15.41 H new ATOM 0 HB3 SER B 48 4.552 1.535 -9.517 1.00 15.41 H new ATOM 0 HG SER B 48 6.627 0.490 -9.455 1.00 62.32 H new ATOM 2590 N THR B 49 3.337 -1.652 -10.785 1.00 72.24 N ATOM 2591 CA THR B 49 2.533 -2.674 -10.180 1.00 52.53 C ATOM 2592 C THR B 49 3.175 -3.154 -8.886 1.00 51.42 C ATOM 2593 O THR B 49 4.327 -2.802 -8.593 1.00 31.32 O ATOM 2594 CB THR B 49 2.382 -3.864 -11.133 1.00 45.32 C ATOM 2595 OG1 THR B 49 3.683 -4.384 -11.464 1.00 32.32 O ATOM 2596 CG2 THR B 49 1.661 -3.455 -12.405 1.00 60.04 C ATOM 0 H THR B 49 4.140 -1.997 -11.310 1.00 72.24 H new ATOM 0 HA THR B 49 1.551 -2.252 -9.965 1.00 52.53 H new ATOM 0 HB THR B 49 1.791 -4.632 -10.634 1.00 45.32 H new ATOM 0 HG1 THR B 49 4.136 -3.767 -12.076 1.00 32.32 H new ATOM 0 HG21 THR B 49 1.567 -4.318 -13.064 1.00 60.04 H new ATOM 0 HG22 THR B 49 0.669 -3.079 -12.156 1.00 60.04 H new ATOM 0 HG23 THR B 49 2.229 -2.673 -12.910 1.00 60.04 H new ATOM 2604 N ALA B 50 2.446 -3.957 -8.109 1.00 12.43 N ATOM 2605 CA ALA B 50 2.989 -4.548 -6.900 1.00 53.03 C ATOM 2606 C ALA B 50 4.078 -5.544 -7.284 1.00 4.45 C ATOM 2607 O ALA B 50 5.120 -5.631 -6.653 1.00 73.04 O ATOM 2608 CB ALA B 50 1.863 -5.226 -6.121 1.00 22.12 C ATOM 0 H ALA B 50 1.477 -4.209 -8.302 1.00 12.43 H new ATOM 0 HA ALA B 50 3.430 -3.782 -6.262 1.00 53.03 H new ATOM 0 HB1 ALA B 50 2.267 -5.671 -5.212 1.00 22.12 H new ATOM 0 HB2 ALA B 50 1.106 -4.487 -5.858 1.00 22.12 H new ATOM 0 HB3 ALA B 50 1.412 -6.004 -6.737 1.00 22.12 H new ATOM 2614 N GLN B 51 3.802 -6.278 -8.360 1.00 30.53 N ATOM 2615 CA GLN B 51 4.749 -7.211 -8.962 1.00 71.35 C ATOM 2616 C GLN B 51 6.056 -6.490 -9.364 1.00 11.33 C ATOM 2617 O GLN B 51 7.157 -7.003 -9.103 1.00 22.34 O ATOM 2618 CB GLN B 51 4.083 -7.860 -10.178 1.00 42.21 C ATOM 2619 CG GLN B 51 4.944 -8.855 -10.917 1.00 0.13 C ATOM 2620 CD GLN B 51 4.237 -9.451 -12.105 1.00 72.12 C ATOM 2621 OE1 GLN B 51 4.269 -8.912 -13.199 1.00 35.52 O ATOM 2622 NE2 GLN B 51 3.647 -10.587 -11.918 1.00 64.42 N ATOM 0 H GLN B 51 2.904 -6.240 -8.843 1.00 30.53 H new ATOM 0 HA GLN B 51 5.018 -7.980 -8.238 1.00 71.35 H new ATOM 0 HB2 GLN B 51 3.172 -8.362 -9.851 1.00 42.21 H new ATOM 0 HB3 GLN B 51 3.783 -7.075 -10.872 1.00 42.21 H new ATOM 0 HG2 GLN B 51 5.858 -8.364 -11.250 1.00 0.13 H new ATOM 0 HG3 GLN B 51 5.240 -9.652 -10.236 1.00 0.13 H new ATOM 0 HE21 GLN B 51 3.639 -11.011 -10.990 1.00 64.42 H new ATOM 0 HE22 GLN B 51 3.190 -11.059 -12.698 1.00 64.42 H new ATOM 2631 N ASP B 52 5.925 -5.309 -9.988 1.00 14.31 N ATOM 2632 CA ASP B 52 7.100 -4.452 -10.311 1.00 64.44 C ATOM 2633 C ASP B 52 7.889 -4.145 -9.080 1.00 32.33 C ATOM 2634 O ASP B 52 9.120 -4.272 -9.055 1.00 22.41 O ATOM 2635 CB ASP B 52 6.693 -3.112 -10.925 1.00 63.55 C ATOM 2636 CG ASP B 52 6.600 -3.098 -12.398 1.00 0.33 C ATOM 2637 OD1 ASP B 52 7.619 -3.326 -13.072 1.00 24.12 O ATOM 2638 OD2 ASP B 52 5.511 -2.828 -12.915 1.00 24.23 O ATOM 0 H ASP B 52 5.029 -4.919 -10.281 1.00 14.31 H new ATOM 0 HA ASP B 52 7.691 -5.021 -11.029 1.00 64.44 H new ATOM 0 HB2 ASP B 52 5.727 -2.820 -10.513 1.00 63.55 H new ATOM 0 HB3 ASP B 52 7.413 -2.355 -10.615 1.00 63.55 H new ATOM 2643 N LEU B 53 7.172 -3.740 -8.063 1.00 63.42 N ATOM 2644 CA LEU B 53 7.743 -3.385 -6.797 1.00 52.43 C ATOM 2645 C LEU B 53 8.515 -4.516 -6.176 1.00 53.54 C ATOM 2646 O LEU B 53 9.656 -4.308 -5.724 1.00 23.31 O ATOM 2647 CB LEU B 53 6.659 -2.862 -5.872 1.00 13.31 C ATOM 2648 CG LEU B 53 6.207 -1.441 -6.159 1.00 54.13 C ATOM 2649 CD1 LEU B 53 4.910 -1.145 -5.434 1.00 30.01 C ATOM 2650 CD2 LEU B 53 7.296 -0.464 -5.723 1.00 33.21 C ATOM 0 H LEU B 53 6.157 -3.647 -8.096 1.00 63.42 H new ATOM 0 HA LEU B 53 8.470 -2.590 -6.966 1.00 52.43 H new ATOM 0 HB2 LEU B 53 5.795 -3.523 -5.938 1.00 13.31 H new ATOM 0 HB3 LEU B 53 7.022 -2.912 -4.845 1.00 13.31 H new ATOM 0 HG LEU B 53 6.033 -1.328 -7.229 1.00 54.13 H new ATOM 0 HD11 LEU B 53 4.598 -0.123 -5.649 1.00 30.01 H new ATOM 0 HD12 LEU B 53 4.139 -1.838 -5.770 1.00 30.01 H new ATOM 0 HD13 LEU B 53 5.059 -1.261 -4.360 1.00 30.01 H new ATOM 0 HD21 LEU B 53 6.973 0.556 -5.929 1.00 33.21 H new ATOM 0 HD22 LEU B 53 7.481 -0.578 -4.655 1.00 33.21 H new ATOM 0 HD23 LEU B 53 8.213 -0.672 -6.274 1.00 33.21 H new ATOM 2662 N GLU B 54 7.938 -5.717 -6.154 1.00 62.12 N ATOM 2663 CA GLU B 54 8.648 -6.853 -5.631 1.00 32.22 C ATOM 2664 C GLU B 54 9.931 -7.118 -6.364 1.00 24.34 C ATOM 2665 O GLU B 54 10.928 -7.270 -5.746 1.00 4.20 O ATOM 2666 CB GLU B 54 7.817 -8.120 -5.616 1.00 61.03 C ATOM 2667 CG GLU B 54 6.599 -8.088 -4.725 1.00 64.11 C ATOM 2668 CD GLU B 54 5.929 -9.435 -4.666 1.00 72.11 C ATOM 2669 OE1 GLU B 54 6.255 -10.313 -5.502 1.00 31.11 O ATOM 2670 OE2 GLU B 54 5.100 -9.662 -3.785 1.00 33.20 O ATOM 0 H GLU B 54 6.995 -5.914 -6.490 1.00 62.12 H new ATOM 0 HA GLU B 54 8.877 -6.580 -4.601 1.00 32.22 H new ATOM 0 HB2 GLU B 54 7.495 -8.334 -6.635 1.00 61.03 H new ATOM 0 HB3 GLU B 54 8.453 -8.947 -5.302 1.00 61.03 H new ATOM 0 HG2 GLU B 54 6.889 -7.779 -3.721 1.00 64.11 H new ATOM 0 HG3 GLU B 54 5.894 -7.345 -5.096 1.00 64.11 H new ATOM 2677 N ALA B 55 9.897 -7.132 -7.684 1.00 60.40 N ATOM 2678 CA ALA B 55 11.102 -7.443 -8.475 1.00 13.40 C ATOM 2679 C ALA B 55 12.287 -6.526 -8.121 1.00 54.21 C ATOM 2680 O ALA B 55 13.422 -7.009 -7.820 1.00 54.11 O ATOM 2681 CB ALA B 55 10.788 -7.349 -9.964 1.00 0.21 C ATOM 0 H ALA B 55 9.063 -6.936 -8.238 1.00 60.40 H new ATOM 0 HA ALA B 55 11.400 -8.462 -8.228 1.00 13.40 H new ATOM 0 HB1 ALA B 55 11.684 -7.580 -10.540 1.00 0.21 H new ATOM 0 HB2 ALA B 55 10.001 -8.060 -10.216 1.00 0.21 H new ATOM 0 HB3 ALA B 55 10.454 -6.339 -10.202 1.00 0.21 H new ATOM 2687 N HIS B 56 12.024 -5.239 -8.066 1.00 50.43 N ATOM 2688 CA HIS B 56 13.079 -4.281 -7.807 1.00 23.10 C ATOM 2689 C HIS B 56 13.616 -4.442 -6.377 1.00 42.44 C ATOM 2690 O HIS B 56 14.812 -4.332 -6.142 1.00 24.13 O ATOM 2691 CB HIS B 56 12.609 -2.839 -8.067 1.00 34.33 C ATOM 2692 CG HIS B 56 13.726 -1.821 -8.050 1.00 61.32 C ATOM 2693 ND1 HIS B 56 14.406 -1.437 -9.184 1.00 41.21 N ATOM 2694 CD2 HIS B 56 14.270 -1.109 -7.038 1.00 2.41 C ATOM 2695 CE1 HIS B 56 15.312 -0.541 -8.872 1.00 32.22 C ATOM 2696 NE2 HIS B 56 15.252 -0.323 -7.579 1.00 42.52 N ATOM 0 H HIS B 56 11.097 -4.833 -8.196 1.00 50.43 H new ATOM 0 HA HIS B 56 13.894 -4.485 -8.502 1.00 23.10 H new ATOM 0 HB2 HIS B 56 12.108 -2.799 -9.034 1.00 34.33 H new ATOM 0 HB3 HIS B 56 11.870 -2.566 -7.314 1.00 34.33 H new ATOM 0 HD2 HIS B 56 13.984 -1.152 -5.998 1.00 2.41 H new ATOM 0 HE1 HIS B 56 15.992 -0.064 -9.562 1.00 32.22 H new ATOM 0 HE2 HIS B 56 15.842 0.328 -7.060 1.00 42.52 H new ATOM 2705 N PHE B 57 12.736 -4.711 -5.438 1.00 54.43 N ATOM 2706 CA PHE B 57 13.125 -4.902 -4.049 1.00 45.22 C ATOM 2707 C PHE B 57 13.625 -6.305 -3.742 1.00 23.35 C ATOM 2708 O PHE B 57 14.334 -6.519 -2.775 1.00 25.15 O ATOM 2709 CB PHE B 57 12.067 -4.422 -3.077 1.00 40.35 C ATOM 2710 CG PHE B 57 12.041 -2.933 -2.974 1.00 61.10 C ATOM 2711 CD1 PHE B 57 12.969 -2.295 -2.193 1.00 71.33 C ATOM 2712 CD2 PHE B 57 11.118 -2.177 -3.657 1.00 33.41 C ATOM 2713 CE1 PHE B 57 12.982 -0.925 -2.084 1.00 51.22 C ATOM 2714 CE2 PHE B 57 11.128 -0.804 -3.554 1.00 24.32 C ATOM 2715 CZ PHE B 57 12.063 -0.182 -2.766 1.00 2.24 C ATOM 0 H PHE B 57 11.735 -4.804 -5.609 1.00 54.43 H new ATOM 0 HA PHE B 57 13.991 -4.257 -3.898 1.00 45.22 H new ATOM 0 HB2 PHE B 57 11.089 -4.781 -3.398 1.00 40.35 H new ATOM 0 HB3 PHE B 57 12.257 -4.851 -2.093 1.00 40.35 H new ATOM 0 HD1 PHE B 57 13.702 -2.878 -1.655 1.00 71.33 H new ATOM 0 HD2 PHE B 57 10.380 -2.663 -4.278 1.00 33.41 H new ATOM 0 HE1 PHE B 57 13.717 -0.438 -1.461 1.00 51.22 H new ATOM 0 HE2 PHE B 57 10.400 -0.217 -4.094 1.00 24.32 H new ATOM 0 HZ PHE B 57 12.072 0.895 -2.686 1.00 2.24 H new ATOM 2725 N SER B 58 13.241 -7.243 -4.569 1.00 51.22 N ATOM 2726 CA SER B 58 13.592 -8.645 -4.417 1.00 75.20 C ATOM 2727 C SER B 58 15.087 -8.808 -4.562 1.00 43.54 C ATOM 2728 O SER B 58 15.694 -9.678 -3.932 1.00 50.43 O ATOM 2729 CB SER B 58 12.846 -9.504 -5.456 1.00 34.24 C ATOM 2730 OG SER B 58 13.120 -10.885 -5.319 1.00 13.21 O ATOM 0 H SER B 58 12.662 -7.056 -5.388 1.00 51.22 H new ATOM 0 HA SER B 58 13.293 -8.984 -3.425 1.00 75.20 H new ATOM 0 HB2 SER B 58 11.773 -9.339 -5.356 1.00 34.24 H new ATOM 0 HB3 SER B 58 13.126 -9.180 -6.458 1.00 34.24 H new ATOM 0 HG SER B 58 12.623 -11.386 -5.999 1.00 13.21 H new ATOM 2736 N SER B 59 15.693 -7.964 -5.390 1.00 71.15 N ATOM 2737 CA SER B 59 17.138 -7.944 -5.516 1.00 71.02 C ATOM 2738 C SER B 59 17.814 -7.624 -4.146 1.00 11.42 C ATOM 2739 O SER B 59 18.962 -7.988 -3.908 1.00 23.32 O ATOM 2740 CB SER B 59 17.524 -6.904 -6.559 1.00 51.34 C ATOM 2741 OG SER B 59 16.832 -7.151 -7.782 1.00 52.43 O ATOM 0 H SER B 59 15.205 -7.289 -5.979 1.00 71.15 H new ATOM 0 HA SER B 59 17.486 -8.928 -5.831 1.00 71.02 H new ATOM 0 HB2 SER B 59 17.285 -5.905 -6.193 1.00 51.34 H new ATOM 0 HB3 SER B 59 18.600 -6.932 -6.730 1.00 51.34 H new ATOM 0 HG SER B 59 17.087 -6.475 -8.444 1.00 52.43 H new ATOM 2747 N CYS B 60 17.075 -6.952 -3.262 1.00 74.33 N ATOM 2748 CA CYS B 60 17.560 -6.591 -1.941 1.00 32.20 C ATOM 2749 C CYS B 60 17.300 -7.696 -0.896 1.00 44.43 C ATOM 2750 O CYS B 60 17.761 -7.594 0.242 1.00 40.42 O ATOM 2751 CB CYS B 60 16.905 -5.283 -1.492 1.00 73.01 C ATOM 2752 SG CYS B 60 17.199 -3.894 -2.607 1.00 44.41 S ATOM 0 H CYS B 60 16.121 -6.644 -3.449 1.00 74.33 H new ATOM 0 HA CYS B 60 18.640 -6.463 -2.012 1.00 32.20 H new ATOM 0 HB2 CYS B 60 15.830 -5.440 -1.399 1.00 73.01 H new ATOM 0 HB3 CYS B 60 17.276 -5.024 -0.500 1.00 73.01 H new ATOM 0 HG CYS B 60 17.991 -3.037 -2.034 1.00 44.41 H new ATOM 2758 N GLY B 61 16.623 -8.759 -1.283 1.00 45.34 N ATOM 2759 CA GLY B 61 16.322 -9.802 -0.319 1.00 13.24 C ATOM 2760 C GLY B 61 14.943 -10.402 -0.470 1.00 61.52 C ATOM 2761 O GLY B 61 14.312 -10.294 -1.527 1.00 23.12 O ATOM 0 H GLY B 61 16.279 -8.923 -2.229 1.00 45.34 H new ATOM 0 HA2 GLY B 61 17.064 -10.595 -0.414 1.00 13.24 H new ATOM 0 HA3 GLY B 61 16.420 -9.392 0.686 1.00 13.24 H new ATOM 2765 N SER B 62 14.460 -11.028 0.587 1.00 70.43 N ATOM 2766 CA SER B 62 13.195 -11.714 0.550 1.00 33.21 C ATOM 2767 C SER B 62 12.057 -10.840 1.043 1.00 32.33 C ATOM 2768 O SER B 62 12.058 -10.376 2.192 1.00 73.12 O ATOM 2769 CB SER B 62 13.280 -13.002 1.357 1.00 72.01 C ATOM 2770 OG SER B 62 14.288 -13.855 0.820 1.00 34.24 O ATOM 0 H SER B 62 14.936 -11.072 1.488 1.00 70.43 H new ATOM 0 HA SER B 62 12.977 -11.958 -0.490 1.00 33.21 H new ATOM 0 HB2 SER B 62 13.505 -12.773 2.399 1.00 72.01 H new ATOM 0 HB3 SER B 62 12.317 -13.512 1.344 1.00 72.01 H new ATOM 0 HG SER B 62 14.335 -14.679 1.348 1.00 34.24 H new ATOM 2776 N ILE B 63 11.102 -10.602 0.171 1.00 70.15 N ATOM 2777 CA ILE B 63 9.933 -9.825 0.502 1.00 41.11 C ATOM 2778 C ILE B 63 8.917 -10.646 1.293 1.00 65.33 C ATOM 2779 O ILE B 63 8.547 -11.752 0.907 1.00 32.14 O ATOM 2780 CB ILE B 63 9.303 -9.184 -0.757 1.00 45.23 C ATOM 2781 CG1 ILE B 63 10.275 -8.147 -1.319 1.00 45.04 C ATOM 2782 CG2 ILE B 63 7.952 -8.547 -0.440 1.00 10.33 C ATOM 2783 CD1 ILE B 63 9.801 -7.470 -2.565 1.00 35.32 C ATOM 0 H ILE B 63 11.117 -10.944 -0.790 1.00 70.15 H new ATOM 0 HA ILE B 63 10.256 -9.010 1.149 1.00 41.11 H new ATOM 0 HB ILE B 63 9.123 -9.960 -1.501 1.00 45.23 H new ATOM 0 HG12 ILE B 63 10.461 -7.390 -0.557 1.00 45.04 H new ATOM 0 HG13 ILE B 63 11.228 -8.634 -1.524 1.00 45.04 H new ATOM 0 HG21 ILE B 63 7.536 -8.106 -1.346 1.00 10.33 H new ATOM 0 HG22 ILE B 63 7.270 -9.309 -0.062 1.00 10.33 H new ATOM 0 HG23 ILE B 63 8.084 -7.771 0.314 1.00 10.33 H new ATOM 0 HD11 ILE B 63 10.550 -6.751 -2.896 1.00 35.32 H new ATOM 0 HD12 ILE B 63 9.643 -8.214 -3.346 1.00 35.32 H new ATOM 0 HD13 ILE B 63 8.864 -6.951 -2.363 1.00 35.32 H new ATOM 2795 N ASN B 64 8.510 -10.092 2.401 1.00 50.00 N ATOM 2796 CA ASN B 64 7.580 -10.720 3.326 1.00 32.42 C ATOM 2797 C ASN B 64 6.163 -10.316 2.937 1.00 42.24 C ATOM 2798 O ASN B 64 5.297 -11.151 2.755 1.00 4.22 O ATOM 2799 CB ASN B 64 7.872 -10.188 4.739 1.00 71.23 C ATOM 2800 CG ASN B 64 7.169 -10.920 5.861 1.00 20.45 C ATOM 2801 OD1 ASN B 64 6.049 -10.651 6.189 1.00 54.34 O ATOM 2802 ND2 ASN B 64 7.863 -11.785 6.508 1.00 55.44 N ATOM 0 H ASN B 64 8.818 -9.168 2.702 1.00 50.00 H new ATOM 0 HA ASN B 64 7.684 -11.805 3.297 1.00 32.42 H new ATOM 0 HB2 ASN B 64 8.947 -10.236 4.913 1.00 71.23 H new ATOM 0 HB3 ASN B 64 7.589 -9.136 4.780 1.00 71.23 H new ATOM 0 HD21 ASN B 64 7.462 -12.258 7.318 1.00 55.44 H new ATOM 0 HD22 ASN B 64 8.815 -12.000 6.212 1.00 55.44 H new ATOM 2809 N ARG B 65 5.970 -9.015 2.767 1.00 30.44 N ATOM 2810 CA ARG B 65 4.665 -8.423 2.453 1.00 71.12 C ATOM 2811 C ARG B 65 4.922 -7.106 1.751 1.00 31.52 C ATOM 2812 O ARG B 65 6.029 -6.602 1.804 1.00 75.02 O ATOM 2813 CB ARG B 65 3.878 -8.079 3.736 1.00 4.32 C ATOM 2814 CG ARG B 65 3.746 -9.176 4.770 1.00 34.22 C ATOM 2815 CD ARG B 65 3.000 -8.668 5.990 1.00 43.10 C ATOM 2816 NE ARG B 65 1.560 -8.540 5.753 1.00 4.44 N ATOM 2817 CZ ARG B 65 0.820 -7.448 6.008 1.00 13.24 C ATOM 2818 NH1 ARG B 65 1.396 -6.267 6.193 1.00 23.33 N ATOM 2819 NH2 ARG B 65 -0.505 -7.532 6.005 1.00 32.31 N ATOM 0 H ARG B 65 6.720 -8.328 2.843 1.00 30.44 H new ATOM 0 HA ARG B 65 4.098 -9.134 1.853 1.00 71.12 H new ATOM 0 HB2 ARG B 65 4.357 -7.222 4.209 1.00 4.32 H new ATOM 0 HB3 ARG B 65 2.876 -7.763 3.446 1.00 4.32 H new ATOM 0 HG2 ARG B 65 3.217 -10.027 4.341 1.00 34.22 H new ATOM 0 HG3 ARG B 65 4.735 -9.530 5.062 1.00 34.22 H new ATOM 0 HD2 ARG B 65 3.169 -9.348 6.825 1.00 43.10 H new ATOM 0 HD3 ARG B 65 3.405 -7.699 6.282 1.00 43.10 H new ATOM 0 HE ARG B 65 1.078 -9.349 5.361 1.00 4.44 H new ATOM 0 HH11 ARG B 65 2.411 -6.181 6.142 1.00 23.33 H new ATOM 0 HH12 ARG B 65 0.824 -5.445 6.386 1.00 23.33 H new ATOM 0 HH21 ARG B 65 -0.959 -8.424 5.809 1.00 32.31 H new ATOM 0 HH22 ARG B 65 -1.069 -6.704 6.198 1.00 32.31 H new ATOM 2833 N ILE B 66 3.919 -6.555 1.113 1.00 3.50 N ATOM 2834 CA ILE B 66 4.003 -5.226 0.530 1.00 74.15 C ATOM 2835 C ILE B 66 2.627 -4.588 0.591 1.00 3.32 C ATOM 2836 O ILE B 66 1.631 -5.267 0.475 1.00 61.51 O ATOM 2837 CB ILE B 66 4.552 -5.134 -0.956 1.00 52.42 C ATOM 2838 CG1 ILE B 66 3.622 -5.741 -1.982 1.00 1.11 C ATOM 2839 CG2 ILE B 66 5.921 -5.758 -1.101 1.00 12.21 C ATOM 2840 CD1 ILE B 66 4.134 -5.571 -3.399 1.00 62.21 C ATOM 0 H ILE B 66 3.017 -7.011 0.980 1.00 3.50 H new ATOM 0 HA ILE B 66 4.748 -4.700 1.127 1.00 74.15 H new ATOM 0 HB ILE B 66 4.620 -4.064 -1.155 1.00 52.42 H new ATOM 0 HG12 ILE B 66 3.494 -6.802 -1.770 1.00 1.11 H new ATOM 0 HG13 ILE B 66 2.639 -5.278 -1.896 1.00 1.11 H new ATOM 0 HG21 ILE B 66 6.253 -5.670 -2.135 1.00 12.21 H new ATOM 0 HG22 ILE B 66 6.626 -5.244 -0.448 1.00 12.21 H new ATOM 0 HG23 ILE B 66 5.872 -6.811 -0.824 1.00 12.21 H new ATOM 0 HD11 ILE B 66 3.430 -6.024 -4.097 1.00 62.21 H new ATOM 0 HD12 ILE B 66 4.236 -4.509 -3.624 1.00 62.21 H new ATOM 0 HD13 ILE B 66 5.105 -6.057 -3.496 1.00 62.21 H new ATOM 2852 N THR B 67 2.591 -3.324 0.810 1.00 35.12 N ATOM 2853 CA THR B 67 1.361 -2.565 0.871 1.00 73.04 C ATOM 2854 C THR B 67 1.492 -1.429 -0.116 1.00 53.51 C ATOM 2855 O THR B 67 2.487 -0.753 -0.114 1.00 33.12 O ATOM 2856 CB THR B 67 1.152 -1.998 2.295 1.00 41.23 C ATOM 2857 OG1 THR B 67 1.171 -3.071 3.246 1.00 1.12 O ATOM 2858 CG2 THR B 67 -0.170 -1.245 2.406 1.00 63.22 C ATOM 0 H THR B 67 3.428 -2.760 0.958 1.00 35.12 H new ATOM 0 HA THR B 67 0.507 -3.198 0.631 1.00 73.04 H new ATOM 0 HB THR B 67 1.961 -1.298 2.503 1.00 41.23 H new ATOM 0 HG1 THR B 67 1.040 -2.711 4.148 1.00 1.12 H new ATOM 0 HG21 THR B 67 -0.285 -0.860 3.419 1.00 63.22 H new ATOM 0 HG22 THR B 67 -0.177 -0.415 1.699 1.00 63.22 H new ATOM 0 HG23 THR B 67 -0.994 -1.921 2.179 1.00 63.22 H new ATOM 2866 N ILE B 68 0.524 -1.230 -0.959 1.00 52.03 N ATOM 2867 CA ILE B 68 0.604 -0.179 -1.936 1.00 60.13 C ATOM 2868 C ILE B 68 -0.674 0.605 -1.831 1.00 11.45 C ATOM 2869 O ILE B 68 -1.747 0.032 -1.972 1.00 2.00 O ATOM 2870 CB ILE B 68 0.707 -0.695 -3.425 1.00 70.33 C ATOM 2871 CG1 ILE B 68 1.686 -1.872 -3.607 1.00 15.03 C ATOM 2872 CG2 ILE B 68 1.112 0.442 -4.356 1.00 43.13 C ATOM 2873 CD1 ILE B 68 1.119 -3.213 -3.190 1.00 51.03 C ATOM 0 H ILE B 68 -0.334 -1.781 -0.992 1.00 52.03 H new ATOM 0 HA ILE B 68 1.506 0.397 -1.729 1.00 60.13 H new ATOM 0 HB ILE B 68 -0.287 -1.063 -3.680 1.00 70.33 H new ATOM 0 HG12 ILE B 68 1.985 -1.925 -4.654 1.00 15.03 H new ATOM 0 HG13 ILE B 68 2.588 -1.674 -3.028 1.00 15.03 H new ATOM 0 HG21 ILE B 68 1.178 0.069 -5.378 1.00 43.13 H new ATOM 0 HG22 ILE B 68 0.366 1.236 -4.307 1.00 43.13 H new ATOM 0 HG23 ILE B 68 2.081 0.835 -4.050 1.00 43.13 H new ATOM 0 HD11 ILE B 68 1.867 -3.990 -3.348 1.00 51.03 H new ATOM 0 HD12 ILE B 68 0.847 -3.181 -2.135 1.00 51.03 H new ATOM 0 HD13 ILE B 68 0.234 -3.435 -3.786 1.00 51.03 H new ATOM 2885 N LEU B 69 -0.591 1.855 -1.533 1.00 35.05 N ATOM 2886 CA LEU B 69 -1.785 2.653 -1.470 1.00 33.51 C ATOM 2887 C LEU B 69 -1.740 3.817 -2.411 1.00 10.23 C ATOM 2888 O LEU B 69 -0.728 4.529 -2.496 1.00 44.02 O ATOM 2889 CB LEU B 69 -2.260 3.054 -0.051 1.00 74.01 C ATOM 2890 CG LEU B 69 -1.328 3.859 0.850 1.00 62.42 C ATOM 2891 CD1 LEU B 69 -2.116 4.350 2.059 1.00 15.11 C ATOM 2892 CD2 LEU B 69 -0.159 2.999 1.322 1.00 64.25 C ATOM 0 H LEU B 69 0.277 2.351 -1.330 1.00 35.05 H new ATOM 0 HA LEU B 69 -2.566 1.975 -1.814 1.00 33.51 H new ATOM 0 HB2 LEU B 69 -3.181 3.626 -0.164 1.00 74.01 H new ATOM 0 HB3 LEU B 69 -2.517 2.137 0.480 1.00 74.01 H new ATOM 0 HG LEU B 69 -0.931 4.704 0.288 1.00 62.42 H new ATOM 0 HD11 LEU B 69 -1.460 4.927 2.711 1.00 15.11 H new ATOM 0 HD12 LEU B 69 -2.941 4.980 1.725 1.00 15.11 H new ATOM 0 HD13 LEU B 69 -2.512 3.495 2.607 1.00 15.11 H new ATOM 0 HD21 LEU B 69 0.493 3.592 1.963 1.00 64.25 H new ATOM 0 HD22 LEU B 69 -0.539 2.144 1.882 1.00 64.25 H new ATOM 0 HD23 LEU B 69 0.405 2.645 0.459 1.00 64.25 H new ATOM 2904 N CYS B 70 -2.809 4.008 -3.113 1.00 63.15 N ATOM 2905 CA CYS B 70 -2.934 5.085 -4.034 1.00 42.23 C ATOM 2906 C CYS B 70 -4.059 5.988 -3.569 1.00 43.42 C ATOM 2907 O CYS B 70 -5.179 5.517 -3.324 1.00 33.12 O ATOM 2908 CB CYS B 70 -3.248 4.539 -5.420 1.00 34.11 C ATOM 2909 SG CYS B 70 -2.035 3.348 -6.035 1.00 41.05 S ATOM 0 H CYS B 70 -3.633 3.409 -3.060 1.00 63.15 H new ATOM 0 HA CYS B 70 -2.002 5.648 -4.081 1.00 42.23 H new ATOM 0 HB2 CYS B 70 -4.229 4.064 -5.398 1.00 34.11 H new ATOM 0 HB3 CYS B 70 -3.312 5.371 -6.121 1.00 34.11 H new ATOM 0 HG CYS B 70 -2.109 3.283 -7.331 1.00 41.05 H new ATOM 2915 N ASP B 71 -3.774 7.248 -3.415 1.00 63.03 N ATOM 2916 CA ASP B 71 -4.785 8.205 -2.998 1.00 43.14 C ATOM 2917 C ASP B 71 -5.158 9.019 -4.194 1.00 25.23 C ATOM 2918 O ASP B 71 -4.274 9.563 -4.871 1.00 41.11 O ATOM 2919 CB ASP B 71 -4.236 9.130 -1.934 1.00 72.23 C ATOM 2920 CG ASP B 71 -5.279 10.021 -1.320 1.00 4.12 C ATOM 2921 OD1 ASP B 71 -5.845 10.901 -2.028 1.00 23.42 O ATOM 2922 OD2 ASP B 71 -5.523 9.855 -0.123 1.00 21.03 O ATOM 0 H ASP B 71 -2.849 7.649 -3.570 1.00 63.03 H new ATOM 0 HA ASP B 71 -5.646 7.676 -2.589 1.00 43.14 H new ATOM 0 HB2 ASP B 71 -3.771 8.533 -1.149 1.00 72.23 H new ATOM 0 HB3 ASP B 71 -3.452 9.749 -2.371 1.00 72.23 H new ATOM 2927 N LYS B 72 -6.428 9.097 -4.490 1.00 30.24 N ATOM 2928 CA LYS B 72 -6.864 9.816 -5.638 1.00 50.12 C ATOM 2929 C LYS B 72 -7.938 10.840 -5.244 1.00 42.25 C ATOM 2930 O LYS B 72 -8.651 11.373 -6.110 1.00 71.21 O ATOM 2931 CB LYS B 72 -7.410 8.802 -6.683 1.00 70.25 C ATOM 2932 CG LYS B 72 -7.735 9.398 -8.054 1.00 42.54 C ATOM 2933 CD LYS B 72 -8.300 8.375 -9.045 1.00 73.13 C ATOM 2934 CE LYS B 72 -7.292 7.284 -9.351 1.00 31.44 C ATOM 2935 NZ LYS B 72 -7.729 6.392 -10.431 1.00 72.13 N ATOM 0 H LYS B 72 -7.175 8.667 -3.944 1.00 30.24 H new ATOM 0 HA LYS B 72 -6.031 10.365 -6.076 1.00 50.12 H new ATOM 0 HB2 LYS B 72 -6.676 8.007 -6.814 1.00 70.25 H new ATOM 0 HB3 LYS B 72 -8.312 8.340 -6.282 1.00 70.25 H new ATOM 0 HG2 LYS B 72 -8.455 10.207 -7.929 1.00 42.54 H new ATOM 0 HG3 LYS B 72 -6.831 9.838 -8.474 1.00 42.54 H new ATOM 0 HD2 LYS B 72 -9.206 7.930 -8.634 1.00 73.13 H new ATOM 0 HD3 LYS B 72 -8.584 8.880 -9.969 1.00 73.13 H new ATOM 0 HE2 LYS B 72 -6.341 7.741 -9.626 1.00 31.44 H new ATOM 0 HE3 LYS B 72 -7.115 6.696 -8.450 1.00 31.44 H new ATOM 0 HZ1 LYS B 72 -6.981 5.698 -10.632 1.00 72.13 H new ATOM 0 HZ2 LYS B 72 -8.595 5.894 -10.141 1.00 72.13 H new ATOM 0 HZ3 LYS B 72 -7.921 6.951 -11.287 1.00 72.13 H new ATOM 2949 N PHE B 73 -8.046 11.175 -3.942 1.00 51.23 N ATOM 2950 CA PHE B 73 -9.094 12.112 -3.552 1.00 12.02 C ATOM 2951 C PHE B 73 -8.827 13.517 -4.034 1.00 35.52 C ATOM 2952 O PHE B 73 -9.719 14.354 -4.074 1.00 53.32 O ATOM 2953 CB PHE B 73 -9.510 12.066 -2.053 1.00 65.12 C ATOM 2954 CG PHE B 73 -8.544 12.498 -0.991 1.00 32.02 C ATOM 2955 CD1 PHE B 73 -8.016 13.781 -0.972 1.00 13.14 C ATOM 2956 CD2 PHE B 73 -8.225 11.635 0.032 1.00 32.01 C ATOM 2957 CE1 PHE B 73 -7.180 14.185 0.043 1.00 0.31 C ATOM 2958 CE2 PHE B 73 -7.381 12.030 1.050 1.00 35.14 C ATOM 2959 CZ PHE B 73 -6.860 13.308 1.054 1.00 11.05 C ATOM 0 H PHE B 73 -7.453 10.829 -3.188 1.00 51.23 H new ATOM 0 HA PHE B 73 -9.975 11.748 -4.080 1.00 12.02 H new ATOM 0 HB2 PHE B 73 -10.404 12.680 -1.946 1.00 65.12 H new ATOM 0 HB3 PHE B 73 -9.800 11.039 -1.829 1.00 65.12 H new ATOM 0 HD1 PHE B 73 -8.265 14.471 -1.764 1.00 13.14 H new ATOM 0 HD2 PHE B 73 -8.640 10.638 0.038 1.00 32.01 H new ATOM 0 HE1 PHE B 73 -6.776 15.187 0.046 1.00 0.31 H new ATOM 0 HE2 PHE B 73 -7.129 11.340 1.842 1.00 35.14 H new ATOM 0 HZ PHE B 73 -6.201 13.620 1.851 1.00 11.05 H new ATOM 2969 N SER B 74 -7.605 13.773 -4.416 1.00 71.32 N ATOM 2970 CA SER B 74 -7.250 15.055 -4.953 1.00 45.30 C ATOM 2971 C SER B 74 -7.328 15.033 -6.487 1.00 22.23 C ATOM 2972 O SER B 74 -6.769 15.884 -7.156 1.00 41.41 O ATOM 2973 CB SER B 74 -5.863 15.434 -4.477 1.00 53.01 C ATOM 2974 OG SER B 74 -5.823 15.446 -3.050 1.00 44.34 O ATOM 0 H SER B 74 -6.836 13.105 -4.364 1.00 71.32 H new ATOM 0 HA SER B 74 -7.956 15.807 -4.599 1.00 45.30 H new ATOM 0 HB2 SER B 74 -5.131 14.725 -4.864 1.00 53.01 H new ATOM 0 HB3 SER B 74 -5.592 16.416 -4.865 1.00 53.01 H new ATOM 0 HG SER B 74 -4.923 15.690 -2.750 1.00 44.34 H new ATOM 2980 N GLY B 75 -8.025 14.048 -7.037 1.00 3.34 N ATOM 2981 CA GLY B 75 -8.224 13.993 -8.465 1.00 41.11 C ATOM 2982 C GLY B 75 -7.184 13.156 -9.132 1.00 51.51 C ATOM 2983 O GLY B 75 -7.486 12.125 -9.720 1.00 3.45 O ATOM 0 H GLY B 75 -8.456 13.285 -6.515 1.00 3.34 H new ATOM 0 HA2 GLY B 75 -9.212 13.586 -8.680 1.00 41.11 H new ATOM 0 HA3 GLY B 75 -8.198 15.002 -8.876 1.00 41.11 H new ATOM 2987 N HIS B 76 -5.971 13.588 -9.045 1.00 63.35 N ATOM 2988 CA HIS B 76 -4.890 12.836 -9.613 1.00 55.45 C ATOM 2989 C HIS B 76 -4.226 11.977 -8.567 1.00 44.34 C ATOM 2990 O HIS B 76 -3.827 12.466 -7.513 1.00 25.21 O ATOM 2991 CB HIS B 76 -3.942 13.666 -10.477 1.00 62.41 C ATOM 2992 CG HIS B 76 -4.611 14.112 -11.756 1.00 61.11 C ATOM 2993 ND1 HIS B 76 -4.591 13.367 -12.915 1.00 13.33 N ATOM 2994 CD2 HIS B 76 -5.358 15.206 -12.038 1.00 41.44 C ATOM 2995 CE1 HIS B 76 -5.291 13.980 -13.844 1.00 22.50 C ATOM 2996 NE2 HIS B 76 -5.766 15.096 -13.337 1.00 61.41 N ATOM 0 H HIS B 76 -5.697 14.457 -8.587 1.00 63.35 H new ATOM 0 HA HIS B 76 -5.316 12.145 -10.341 1.00 55.45 H new ATOM 0 HB2 HIS B 76 -3.606 14.539 -9.917 1.00 62.41 H new ATOM 0 HB3 HIS B 76 -3.055 13.079 -10.714 1.00 62.41 H new ATOM 0 HD2 HIS B 76 -5.588 16.015 -11.361 1.00 41.44 H new ATOM 0 HE1 HIS B 76 -5.449 13.627 -14.852 1.00 22.50 H new ATOM 0 HE2 HIS B 76 -6.346 15.772 -13.834 1.00 61.41 H new ATOM 3005 N PRO B 77 -4.141 10.672 -8.832 1.00 54.35 N ATOM 3006 CA PRO B 77 -3.690 9.691 -7.851 1.00 31.50 C ATOM 3007 C PRO B 77 -2.196 9.706 -7.565 1.00 22.24 C ATOM 3008 O PRO B 77 -1.361 9.804 -8.472 1.00 43.23 O ATOM 3009 CB PRO B 77 -4.105 8.377 -8.479 1.00 53.54 C ATOM 3010 CG PRO B 77 -3.977 8.628 -9.938 1.00 12.33 C ATOM 3011 CD PRO B 77 -4.465 10.030 -10.131 1.00 51.15 C ATOM 0 HA PRO B 77 -4.124 9.893 -6.872 1.00 31.50 H new ATOM 0 HB2 PRO B 77 -3.462 7.558 -8.156 1.00 53.54 H new ATOM 0 HB3 PRO B 77 -5.126 8.108 -8.207 1.00 53.54 H new ATOM 0 HG2 PRO B 77 -2.944 8.520 -10.268 1.00 12.33 H new ATOM 0 HG3 PRO B 77 -4.572 7.920 -10.515 1.00 12.33 H new ATOM 0 HD2 PRO B 77 -3.961 10.523 -10.963 1.00 51.15 H new ATOM 0 HD3 PRO B 77 -5.534 10.061 -10.342 1.00 51.15 H new ATOM 3019 N LYS B 78 -1.882 9.628 -6.305 1.00 72.45 N ATOM 3020 CA LYS B 78 -0.532 9.559 -5.792 1.00 52.05 C ATOM 3021 C LYS B 78 -0.336 8.203 -5.202 1.00 13.14 C ATOM 3022 O LYS B 78 -1.280 7.642 -4.642 1.00 73.34 O ATOM 3023 CB LYS B 78 -0.377 10.582 -4.664 1.00 13.24 C ATOM 3024 CG LYS B 78 -0.464 12.029 -5.100 1.00 72.15 C ATOM 3025 CD LYS B 78 0.752 12.450 -5.907 1.00 71.41 C ATOM 3026 CE LYS B 78 2.028 12.400 -5.055 1.00 13.43 C ATOM 3027 NZ LYS B 78 1.935 13.276 -3.874 1.00 55.11 N ATOM 0 H LYS B 78 -2.587 9.609 -5.568 1.00 72.45 H new ATOM 0 HA LYS B 78 0.186 9.757 -6.588 1.00 52.05 H new ATOM 0 HB2 LYS B 78 -1.148 10.396 -3.916 1.00 13.24 H new ATOM 0 HB3 LYS B 78 0.585 10.422 -4.177 1.00 13.24 H new ATOM 0 HG2 LYS B 78 -1.364 12.175 -5.697 1.00 72.15 H new ATOM 0 HG3 LYS B 78 -0.556 12.668 -4.222 1.00 72.15 H new ATOM 0 HD2 LYS B 78 0.863 11.795 -6.771 1.00 71.41 H new ATOM 0 HD3 LYS B 78 0.606 13.460 -6.289 1.00 71.41 H new ATOM 0 HE2 LYS B 78 2.209 11.375 -4.733 1.00 13.43 H new ATOM 0 HE3 LYS B 78 2.882 12.699 -5.663 1.00 13.43 H new ATOM 0 HZ1 LYS B 78 2.885 13.428 -3.479 1.00 55.11 H new ATOM 0 HZ2 LYS B 78 1.525 14.190 -4.151 1.00 55.11 H new ATOM 0 HZ3 LYS B 78 1.330 12.828 -3.157 1.00 55.11 H new ATOM 3041 N GLY B 79 0.842 7.678 -5.300 1.00 61.40 N ATOM 3042 CA GLY B 79 1.067 6.390 -4.768 1.00 3.24 C ATOM 3043 C GLY B 79 2.257 6.332 -3.862 1.00 3.30 C ATOM 3044 O GLY B 79 3.239 7.074 -4.034 1.00 73.32 O ATOM 0 H GLY B 79 1.649 8.121 -5.739 1.00 61.40 H new ATOM 0 HA2 GLY B 79 0.182 6.070 -4.218 1.00 3.24 H new ATOM 0 HA3 GLY B 79 1.206 5.684 -5.587 1.00 3.24 H new ATOM 3048 N TYR B 80 2.153 5.474 -2.898 1.00 42.33 N ATOM 3049 CA TYR B 80 3.217 5.143 -2.008 1.00 2.13 C ATOM 3050 C TYR B 80 3.047 3.734 -1.516 1.00 31.14 C ATOM 3051 O TYR B 80 1.920 3.266 -1.315 1.00 62.42 O ATOM 3052 CB TYR B 80 3.494 6.195 -0.894 1.00 34.42 C ATOM 3053 CG TYR B 80 2.318 6.685 -0.060 1.00 4.21 C ATOM 3054 CD1 TYR B 80 1.901 6.011 1.080 1.00 51.42 C ATOM 3055 CD2 TYR B 80 1.666 7.870 -0.394 1.00 51.41 C ATOM 3056 CE1 TYR B 80 0.865 6.502 1.864 1.00 74.50 C ATOM 3057 CE2 TYR B 80 0.625 8.362 0.376 1.00 10.34 C ATOM 3058 CZ TYR B 80 0.233 7.671 1.508 1.00 55.02 C ATOM 3059 OH TYR B 80 -0.790 8.158 2.302 1.00 10.10 O ATOM 0 H TYR B 80 1.291 4.966 -2.703 1.00 42.33 H new ATOM 0 HA TYR B 80 4.145 5.184 -2.578 1.00 2.13 H new ATOM 0 HB2 TYR B 80 4.232 5.772 -0.213 1.00 34.42 H new ATOM 0 HB3 TYR B 80 3.954 7.064 -1.364 1.00 34.42 H new ATOM 0 HD1 TYR B 80 2.390 5.090 1.362 1.00 51.42 H new ATOM 0 HD2 TYR B 80 1.979 8.416 -1.272 1.00 51.41 H new ATOM 0 HE1 TYR B 80 0.556 5.968 2.750 1.00 74.50 H new ATOM 0 HE2 TYR B 80 0.124 9.277 0.095 1.00 10.34 H new ATOM 0 HH TYR B 80 -1.134 8.991 1.918 1.00 10.10 H new ATOM 3069 N ALA B 81 4.135 3.050 -1.355 1.00 25.21 N ATOM 3070 CA ALA B 81 4.102 1.660 -1.053 1.00 33.10 C ATOM 3071 C ALA B 81 5.017 1.346 0.088 1.00 54.25 C ATOM 3072 O ALA B 81 5.977 2.035 0.321 1.00 61.50 O ATOM 3073 CB ALA B 81 4.498 0.855 -2.281 1.00 41.44 C ATOM 0 H ALA B 81 5.073 3.444 -1.430 1.00 25.21 H new ATOM 0 HA ALA B 81 3.087 1.390 -0.762 1.00 33.10 H new ATOM 0 HB1 ALA B 81 4.471 -0.208 -2.043 1.00 41.44 H new ATOM 0 HB2 ALA B 81 3.801 1.063 -3.093 1.00 41.44 H new ATOM 0 HB3 ALA B 81 5.506 1.132 -2.588 1.00 41.44 H new ATOM 3079 N TYR B 82 4.695 0.341 0.806 1.00 12.33 N ATOM 3080 CA TYR B 82 5.488 -0.106 1.894 1.00 0.05 C ATOM 3081 C TYR B 82 5.871 -1.530 1.671 1.00 42.42 C ATOM 3082 O TYR B 82 5.015 -2.398 1.594 1.00 43.23 O ATOM 3083 CB TYR B 82 4.715 0.058 3.196 1.00 3.44 C ATOM 3084 CG TYR B 82 4.363 1.486 3.458 1.00 21.14 C ATOM 3085 CD1 TYR B 82 5.316 2.351 3.907 1.00 12.30 C ATOM 3086 CD2 TYR B 82 3.082 1.970 3.251 1.00 21.52 C ATOM 3087 CE1 TYR B 82 5.028 3.664 4.147 1.00 63.25 C ATOM 3088 CE2 TYR B 82 2.787 3.293 3.494 1.00 54.42 C ATOM 3089 CZ TYR B 82 3.773 4.129 3.940 1.00 63.04 C ATOM 3090 OH TYR B 82 3.503 5.439 4.174 1.00 62.15 O ATOM 0 H TYR B 82 3.851 -0.212 0.654 1.00 12.33 H new ATOM 0 HA TYR B 82 6.397 0.491 1.963 1.00 0.05 H new ATOM 0 HB2 TYR B 82 3.804 -0.539 3.155 1.00 3.44 H new ATOM 0 HB3 TYR B 82 5.311 -0.327 4.023 1.00 3.44 H new ATOM 0 HD1 TYR B 82 6.320 1.990 4.076 1.00 12.30 H new ATOM 0 HD2 TYR B 82 2.309 1.305 2.896 1.00 21.52 H new ATOM 0 HE1 TYR B 82 5.800 4.331 4.501 1.00 63.25 H new ATOM 0 HE2 TYR B 82 1.786 3.667 3.334 1.00 54.42 H new ATOM 0 HH TYR B 82 3.021 5.816 3.408 1.00 62.15 H new ATOM 3100 N ILE B 83 7.136 -1.771 1.535 1.00 41.31 N ATOM 3101 CA ILE B 83 7.625 -3.099 1.283 1.00 32.10 C ATOM 3102 C ILE B 83 8.095 -3.665 2.607 1.00 63.30 C ATOM 3103 O ILE B 83 8.846 -3.019 3.315 1.00 5.15 O ATOM 3104 CB ILE B 83 8.840 -3.069 0.303 1.00 45.53 C ATOM 3105 CG1 ILE B 83 8.533 -2.236 -0.967 1.00 2.10 C ATOM 3106 CG2 ILE B 83 9.272 -4.478 -0.081 1.00 35.23 C ATOM 3107 CD1 ILE B 83 7.370 -2.720 -1.803 1.00 62.03 C ATOM 0 H ILE B 83 7.862 -1.057 1.594 1.00 41.31 H new ATOM 0 HA ILE B 83 6.834 -3.701 0.837 1.00 32.10 H new ATOM 0 HB ILE B 83 9.663 -2.586 0.830 1.00 45.53 H new ATOM 0 HG12 ILE B 83 8.337 -1.207 -0.666 1.00 2.10 H new ATOM 0 HG13 ILE B 83 9.425 -2.220 -1.593 1.00 2.10 H new ATOM 0 HG21 ILE B 83 10.120 -4.425 -0.764 1.00 35.23 H new ATOM 0 HG22 ILE B 83 9.562 -5.027 0.815 1.00 35.23 H new ATOM 0 HG23 ILE B 83 8.444 -4.992 -0.569 1.00 35.23 H new ATOM 0 HD11 ILE B 83 7.244 -2.065 -2.665 1.00 62.03 H new ATOM 0 HD12 ILE B 83 7.566 -3.736 -2.145 1.00 62.03 H new ATOM 0 HD13 ILE B 83 6.460 -2.708 -1.203 1.00 62.03 H new ATOM 3119 N GLU B 84 7.631 -4.808 2.968 1.00 72.53 N ATOM 3120 CA GLU B 84 8.062 -5.411 4.192 1.00 24.21 C ATOM 3121 C GLU B 84 8.873 -6.651 3.868 1.00 21.21 C ATOM 3122 O GLU B 84 8.423 -7.510 3.117 1.00 61.51 O ATOM 3123 CB GLU B 84 6.850 -5.721 5.086 1.00 10.33 C ATOM 3124 CG GLU B 84 5.946 -4.498 5.279 1.00 61.01 C ATOM 3125 CD GLU B 84 4.851 -4.681 6.296 1.00 11.42 C ATOM 3126 OE1 GLU B 84 3.760 -5.113 5.940 1.00 1.44 O ATOM 3127 OE2 GLU B 84 5.070 -4.335 7.465 1.00 22.54 O ATOM 0 H GLU B 84 6.951 -5.351 2.436 1.00 72.53 H new ATOM 0 HA GLU B 84 8.698 -4.725 4.751 1.00 24.21 H new ATOM 0 HB2 GLU B 84 6.272 -6.532 4.643 1.00 10.33 H new ATOM 0 HB3 GLU B 84 7.197 -6.071 6.058 1.00 10.33 H new ATOM 0 HG2 GLU B 84 6.563 -3.650 5.577 1.00 61.01 H new ATOM 0 HG3 GLU B 84 5.494 -4.242 4.321 1.00 61.01 H new ATOM 3134 N PHE B 85 10.071 -6.726 4.383 1.00 53.34 N ATOM 3135 CA PHE B 85 10.951 -7.835 4.087 1.00 64.10 C ATOM 3136 C PHE B 85 10.964 -8.860 5.186 1.00 10.01 C ATOM 3137 O PHE B 85 10.531 -8.608 6.292 1.00 15.23 O ATOM 3138 CB PHE B 85 12.370 -7.366 3.847 1.00 33.51 C ATOM 3139 CG PHE B 85 12.551 -6.483 2.656 1.00 61.00 C ATOM 3140 CD1 PHE B 85 12.691 -7.032 1.392 1.00 25.01 C ATOM 3141 CD2 PHE B 85 12.603 -5.113 2.797 1.00 64.10 C ATOM 3142 CE1 PHE B 85 12.879 -6.227 0.297 1.00 11.03 C ATOM 3143 CE2 PHE B 85 12.793 -4.307 1.704 1.00 23.10 C ATOM 3144 CZ PHE B 85 12.929 -4.863 0.455 1.00 13.22 C ATOM 0 H PHE B 85 10.466 -6.029 5.014 1.00 53.34 H new ATOM 0 HA PHE B 85 10.557 -8.295 3.181 1.00 64.10 H new ATOM 0 HB2 PHE B 85 12.714 -6.831 4.732 1.00 33.51 H new ATOM 0 HB3 PHE B 85 13.011 -8.240 3.733 1.00 33.51 H new ATOM 0 HD1 PHE B 85 12.652 -8.104 1.267 1.00 25.01 H new ATOM 0 HD2 PHE B 85 12.493 -4.671 3.776 1.00 64.10 H new ATOM 0 HE1 PHE B 85 12.987 -6.664 -0.685 1.00 11.03 H new ATOM 0 HE2 PHE B 85 12.836 -3.235 1.825 1.00 23.10 H new ATOM 0 HZ PHE B 85 13.076 -4.226 -0.405 1.00 13.22 H new ATOM 3154 N ALA B 86 11.435 -10.034 4.851 1.00 23.42 N ATOM 3155 CA ALA B 86 11.592 -11.099 5.806 1.00 54.22 C ATOM 3156 C ALA B 86 12.829 -10.890 6.674 1.00 44.22 C ATOM 3157 O ALA B 86 12.861 -11.310 7.812 1.00 12.02 O ATOM 3158 CB ALA B 86 11.684 -12.432 5.078 1.00 71.32 C ATOM 0 H ALA B 86 11.722 -10.278 3.903 1.00 23.42 H new ATOM 0 HA ALA B 86 10.721 -11.100 6.461 1.00 54.22 H new ATOM 0 HB1 ALA B 86 11.803 -13.236 5.804 1.00 71.32 H new ATOM 0 HB2 ALA B 86 10.773 -12.595 4.502 1.00 71.32 H new ATOM 0 HB3 ALA B 86 12.542 -12.421 4.406 1.00 71.32 H new ATOM 3164 N GLU B 87 13.835 -10.242 6.127 1.00 5.22 N ATOM 3165 CA GLU B 87 15.097 -10.072 6.841 1.00 40.43 C ATOM 3166 C GLU B 87 15.498 -8.592 7.007 1.00 10.44 C ATOM 3167 O GLU B 87 15.176 -7.746 6.160 1.00 52.42 O ATOM 3168 CB GLU B 87 16.169 -10.823 6.059 1.00 0.52 C ATOM 3169 CG GLU B 87 15.848 -12.301 5.889 1.00 54.15 C ATOM 3170 CD GLU B 87 16.801 -13.020 4.982 1.00 25.15 C ATOM 3171 OE1 GLU B 87 16.547 -13.067 3.760 1.00 21.34 O ATOM 3172 OE2 GLU B 87 17.804 -13.559 5.467 1.00 31.53 O ATOM 0 H GLU B 87 13.812 -9.824 5.197 1.00 5.22 H new ATOM 0 HA GLU B 87 14.986 -10.468 7.851 1.00 40.43 H new ATOM 0 HB2 GLU B 87 16.283 -10.365 5.076 1.00 0.52 H new ATOM 0 HB3 GLU B 87 17.125 -10.720 6.572 1.00 0.52 H new ATOM 0 HG2 GLU B 87 15.858 -12.782 6.867 1.00 54.15 H new ATOM 0 HG3 GLU B 87 14.837 -12.402 5.494 1.00 54.15 H new ATOM 3179 N ARG B 88 16.221 -8.292 8.105 1.00 50.03 N ATOM 3180 CA ARG B 88 16.769 -6.944 8.368 1.00 53.21 C ATOM 3181 C ARG B 88 17.766 -6.559 7.307 1.00 2.03 C ATOM 3182 O ARG B 88 17.879 -5.398 6.932 1.00 34.00 O ATOM 3183 CB ARG B 88 17.469 -6.882 9.728 1.00 12.35 C ATOM 3184 CG ARG B 88 16.591 -6.524 10.907 1.00 1.02 C ATOM 3185 CD ARG B 88 16.125 -5.084 10.788 1.00 21.11 C ATOM 3186 NE ARG B 88 17.246 -4.142 10.620 1.00 10.22 N ATOM 3187 CZ ARG B 88 17.118 -2.869 10.192 1.00 34.12 C ATOM 3188 NH1 ARG B 88 15.914 -2.367 9.931 1.00 75.54 N ATOM 3189 NH2 ARG B 88 18.195 -2.110 10.044 1.00 73.22 N ATOM 0 H ARG B 88 16.441 -8.973 8.832 1.00 50.03 H new ATOM 0 HA ARG B 88 15.927 -6.252 8.361 1.00 53.21 H new ATOM 0 HB2 ARG B 88 17.929 -7.851 9.923 1.00 12.35 H new ATOM 0 HB3 ARG B 88 18.277 -6.153 9.666 1.00 12.35 H new ATOM 0 HG2 ARG B 88 15.730 -7.192 10.946 1.00 1.02 H new ATOM 0 HG3 ARG B 88 17.143 -6.661 11.837 1.00 1.02 H new ATOM 0 HD2 ARG B 88 15.448 -4.993 9.939 1.00 21.11 H new ATOM 0 HD3 ARG B 88 15.558 -4.814 11.679 1.00 21.11 H new ATOM 0 HE ARG B 88 18.184 -4.476 10.843 1.00 10.22 H new ATOM 0 HH11 ARG B 88 15.083 -2.945 10.054 1.00 75.54 H new ATOM 0 HH12 ARG B 88 15.822 -1.404 9.608 1.00 75.54 H new ATOM 0 HH21 ARG B 88 19.119 -2.489 10.254 1.00 73.22 H new ATOM 0 HH22 ARG B 88 18.100 -1.147 9.720 1.00 73.22 H new ATOM 3203 N ASN B 89 18.491 -7.533 6.837 1.00 44.55 N ATOM 3204 CA ASN B 89 19.477 -7.325 5.789 1.00 54.40 C ATOM 3205 C ASN B 89 18.818 -6.851 4.515 1.00 63.33 C ATOM 3206 O ASN B 89 19.407 -6.088 3.757 1.00 44.50 O ATOM 3207 CB ASN B 89 20.246 -8.604 5.523 1.00 2.23 C ATOM 3208 CG ASN B 89 21.115 -9.036 6.685 1.00 71.35 C ATOM 3209 OD1 ASN B 89 20.644 -9.658 7.616 1.00 1.02 O ATOM 3210 ND2 ASN B 89 22.390 -8.765 6.613 1.00 1.00 N ATOM 0 H ASN B 89 18.423 -8.497 7.162 1.00 44.55 H new ATOM 0 HA ASN B 89 20.171 -6.556 6.129 1.00 54.40 H new ATOM 0 HB2 ASN B 89 19.540 -9.402 5.290 1.00 2.23 H new ATOM 0 HB3 ASN B 89 20.873 -8.466 4.642 1.00 2.23 H new ATOM 0 HD21 ASN B 89 23.020 -9.078 7.351 1.00 1.00 H new ATOM 0 HD22 ASN B 89 22.756 -8.241 5.818 1.00 1.00 H new ATOM 3217 N SER B 90 17.593 -7.289 4.268 1.00 75.55 N ATOM 3218 CA SER B 90 16.883 -6.909 3.083 1.00 12.22 C ATOM 3219 C SER B 90 16.456 -5.429 3.147 1.00 54.44 C ATOM 3220 O SER B 90 16.579 -4.704 2.168 1.00 65.21 O ATOM 3221 CB SER B 90 15.682 -7.815 2.939 1.00 21.01 C ATOM 3222 OG SER B 90 16.062 -9.186 3.034 1.00 32.55 O ATOM 0 H SER B 90 17.076 -7.914 4.887 1.00 75.55 H new ATOM 0 HA SER B 90 17.531 -7.016 2.213 1.00 12.22 H new ATOM 0 HB2 SER B 90 14.951 -7.582 3.713 1.00 21.01 H new ATOM 0 HB3 SER B 90 15.198 -7.634 1.979 1.00 21.01 H new ATOM 0 HG SER B 90 15.259 -9.744 3.100 1.00 32.55 H new ATOM 3228 N VAL B 91 15.987 -4.982 4.321 1.00 65.14 N ATOM 3229 CA VAL B 91 15.623 -3.575 4.494 1.00 74.02 C ATOM 3230 C VAL B 91 16.840 -2.693 4.444 1.00 20.43 C ATOM 3231 O VAL B 91 16.811 -1.626 3.831 1.00 23.23 O ATOM 3232 CB VAL B 91 14.687 -3.275 5.756 1.00 31.11 C ATOM 3233 CG1 VAL B 91 15.022 -4.187 6.891 1.00 12.34 C ATOM 3234 CG2 VAL B 91 14.851 -1.821 6.264 1.00 61.32 C ATOM 0 H VAL B 91 15.854 -5.564 5.148 1.00 65.14 H new ATOM 0 HA VAL B 91 14.991 -3.325 3.642 1.00 74.02 H new ATOM 0 HB VAL B 91 13.662 -3.433 5.421 1.00 31.11 H new ATOM 0 HG11 VAL B 91 14.374 -3.966 7.739 1.00 12.34 H new ATOM 0 HG12 VAL B 91 14.875 -5.222 6.582 1.00 12.34 H new ATOM 0 HG13 VAL B 91 16.062 -4.040 7.181 1.00 12.34 H new ATOM 0 HG21 VAL B 91 14.198 -1.659 7.122 1.00 61.32 H new ATOM 0 HG22 VAL B 91 15.887 -1.654 6.560 1.00 61.32 H new ATOM 0 HG23 VAL B 91 14.584 -1.125 5.468 1.00 61.32 H new ATOM 3244 N ASP B 92 17.931 -3.162 5.036 1.00 63.20 N ATOM 3245 CA ASP B 92 19.178 -2.405 5.066 1.00 35.13 C ATOM 3246 C ASP B 92 19.696 -2.205 3.627 1.00 22.12 C ATOM 3247 O ASP B 92 20.217 -1.151 3.274 1.00 25.33 O ATOM 3248 CB ASP B 92 20.207 -3.183 5.897 1.00 4.10 C ATOM 3249 CG ASP B 92 21.418 -2.365 6.294 1.00 13.13 C ATOM 3250 OD1 ASP B 92 22.335 -2.178 5.473 1.00 72.11 O ATOM 3251 OD2 ASP B 92 21.474 -1.927 7.472 1.00 60.13 O ATOM 0 H ASP B 92 17.978 -4.067 5.504 1.00 63.20 H new ATOM 0 HA ASP B 92 19.012 -1.426 5.516 1.00 35.13 H new ATOM 0 HB2 ASP B 92 19.723 -3.559 6.798 1.00 4.10 H new ATOM 0 HB3 ASP B 92 20.538 -4.052 5.328 1.00 4.10 H new ATOM 3256 N ALA B 93 19.504 -3.222 2.798 1.00 64.34 N ATOM 3257 CA ALA B 93 19.904 -3.165 1.402 1.00 61.03 C ATOM 3258 C ALA B 93 18.974 -2.266 0.580 1.00 11.22 C ATOM 3259 O ALA B 93 19.394 -1.627 -0.392 1.00 71.24 O ATOM 3260 CB ALA B 93 19.986 -4.560 0.801 1.00 32.15 C ATOM 0 H ALA B 93 19.070 -4.103 3.073 1.00 64.34 H new ATOM 0 HA ALA B 93 20.899 -2.721 1.367 1.00 61.03 H new ATOM 0 HB1 ALA B 93 20.287 -4.489 -0.244 1.00 32.15 H new ATOM 0 HB2 ALA B 93 20.719 -5.150 1.351 1.00 32.15 H new ATOM 0 HB3 ALA B 93 19.010 -5.042 0.865 1.00 32.15 H new ATOM 3266 N ALA B 94 17.712 -2.218 0.991 1.00 73.33 N ATOM 3267 CA ALA B 94 16.692 -1.446 0.297 1.00 1.01 C ATOM 3268 C ALA B 94 16.844 0.036 0.593 1.00 72.23 C ATOM 3269 O ALA B 94 16.776 0.860 -0.308 1.00 33.53 O ATOM 3270 CB ALA B 94 15.296 -1.931 0.670 1.00 72.41 C ATOM 0 H ALA B 94 17.369 -2.713 1.814 1.00 73.33 H new ATOM 0 HA ALA B 94 16.826 -1.595 -0.774 1.00 1.01 H new ATOM 0 HB1 ALA B 94 14.551 -1.339 0.139 1.00 72.41 H new ATOM 0 HB2 ALA B 94 15.190 -2.980 0.394 1.00 72.41 H new ATOM 0 HB3 ALA B 94 15.148 -1.822 1.744 1.00 72.41 H new ATOM 3276 N VAL B 95 17.056 0.369 1.867 1.00 2.32 N ATOM 3277 CA VAL B 95 17.283 1.760 2.282 1.00 75.40 C ATOM 3278 C VAL B 95 18.493 2.381 1.591 1.00 61.35 C ATOM 3279 O VAL B 95 18.595 3.593 1.488 1.00 30.04 O ATOM 3280 CB VAL B 95 17.358 1.979 3.823 1.00 34.23 C ATOM 3281 CG1 VAL B 95 16.067 1.550 4.489 1.00 25.25 C ATOM 3282 CG2 VAL B 95 18.543 1.246 4.433 1.00 14.23 C ATOM 0 H VAL B 95 17.076 -0.305 2.633 1.00 2.32 H new ATOM 0 HA VAL B 95 16.385 2.282 1.951 1.00 75.40 H new ATOM 0 HB VAL B 95 17.501 3.045 3.997 1.00 34.23 H new ATOM 0 HG11 VAL B 95 16.141 1.711 5.564 1.00 25.25 H new ATOM 0 HG12 VAL B 95 15.239 2.137 4.090 1.00 25.25 H new ATOM 0 HG13 VAL B 95 15.890 0.493 4.292 1.00 25.25 H new ATOM 0 HG21 VAL B 95 18.564 1.421 5.509 1.00 14.23 H new ATOM 0 HG22 VAL B 95 18.448 0.177 4.241 1.00 14.23 H new ATOM 0 HG23 VAL B 95 19.467 1.614 3.987 1.00 14.23 H new ATOM 3292 N ALA B 96 19.410 1.546 1.113 1.00 53.31 N ATOM 3293 CA ALA B 96 20.568 2.024 0.360 1.00 21.12 C ATOM 3294 C ALA B 96 20.146 2.628 -0.994 1.00 35.13 C ATOM 3295 O ALA B 96 20.909 3.337 -1.647 1.00 33.02 O ATOM 3296 CB ALA B 96 21.587 0.917 0.165 1.00 1.04 C ATOM 0 H ALA B 96 19.375 0.534 1.233 1.00 53.31 H new ATOM 0 HA ALA B 96 21.037 2.815 0.945 1.00 21.12 H new ATOM 0 HB1 ALA B 96 22.438 1.301 -0.398 1.00 1.04 H new ATOM 0 HB2 ALA B 96 21.927 0.560 1.137 1.00 1.04 H new ATOM 0 HB3 ALA B 96 21.130 0.094 -0.384 1.00 1.04 H new ATOM 3302 N MET B 97 18.915 2.345 -1.380 1.00 45.11 N ATOM 3303 CA MET B 97 18.344 2.865 -2.608 1.00 50.21 C ATOM 3304 C MET B 97 17.441 4.046 -2.300 1.00 42.14 C ATOM 3305 O MET B 97 16.698 4.496 -3.179 1.00 22.21 O ATOM 3306 CB MET B 97 17.510 1.806 -3.361 1.00 63.54 C ATOM 3307 CG MET B 97 18.262 0.566 -3.805 1.00 44.01 C ATOM 3308 SD MET B 97 17.256 -0.511 -4.870 1.00 73.23 S ATOM 3309 CE MET B 97 15.859 -0.875 -3.810 1.00 44.54 C ATOM 0 H MET B 97 18.282 1.747 -0.849 1.00 45.11 H new ATOM 0 HA MET B 97 19.179 3.165 -3.241 1.00 50.21 H new ATOM 0 HB2 MET B 97 16.685 1.497 -2.719 1.00 63.54 H new ATOM 0 HB3 MET B 97 17.070 2.276 -4.241 1.00 63.54 H new ATOM 0 HG2 MET B 97 19.163 0.864 -4.341 1.00 44.01 H new ATOM 0 HG3 MET B 97 18.584 0.006 -2.927 1.00 44.01 H new ATOM 0 HE1 MET B 97 15.520 -1.895 -3.992 1.00 44.54 H new ATOM 0 HE2 MET B 97 16.158 -0.773 -2.767 1.00 44.54 H new ATOM 0 HE3 MET B 97 15.048 -0.179 -4.025 1.00 44.54 H new ATOM 3319 N ASP B 98 17.536 4.558 -1.051 1.00 54.23 N ATOM 3320 CA ASP B 98 16.652 5.627 -0.515 1.00 12.03 C ATOM 3321 C ASP B 98 16.230 6.677 -1.507 1.00 61.43 C ATOM 3322 O ASP B 98 15.082 6.920 -1.616 1.00 61.42 O ATOM 3323 CB ASP B 98 17.212 6.317 0.766 1.00 45.32 C ATOM 3324 CG ASP B 98 18.347 7.295 0.517 1.00 12.04 C ATOM 3325 OD1 ASP B 98 19.519 6.856 0.387 1.00 52.22 O ATOM 3326 OD2 ASP B 98 18.077 8.523 0.451 1.00 14.52 O ATOM 0 H ASP B 98 18.234 4.240 -0.378 1.00 54.23 H new ATOM 0 HA ASP B 98 15.756 5.066 -0.251 1.00 12.03 H new ATOM 0 HB2 ASP B 98 16.398 6.845 1.263 1.00 45.32 H new ATOM 0 HB3 ASP B 98 17.559 5.547 1.455 1.00 45.32 H new ATOM 3331 N GLU B 99 17.110 7.292 -2.218 1.00 50.13 N ATOM 3332 CA GLU B 99 16.650 8.311 -3.118 1.00 12.33 C ATOM 3333 C GLU B 99 17.222 8.079 -4.523 1.00 2.21 C ATOM 3334 O GLU B 99 17.613 9.012 -5.240 1.00 11.35 O ATOM 3335 CB GLU B 99 17.001 9.669 -2.504 1.00 55.10 C ATOM 3336 CG GLU B 99 16.227 10.843 -3.056 1.00 35.45 C ATOM 3337 CD GLU B 99 16.371 12.052 -2.180 1.00 12.40 C ATOM 3338 OE1 GLU B 99 15.744 12.078 -1.087 1.00 44.23 O ATOM 3339 OE2 GLU B 99 17.114 12.982 -2.532 1.00 40.13 O ATOM 0 H GLU B 99 18.116 7.123 -2.204 1.00 50.13 H new ATOM 0 HA GLU B 99 15.568 8.281 -3.250 1.00 12.33 H new ATOM 0 HB2 GLU B 99 16.834 9.618 -1.428 1.00 55.10 H new ATOM 0 HB3 GLU B 99 18.065 9.853 -2.653 1.00 55.10 H new ATOM 0 HG2 GLU B 99 16.581 11.075 -4.060 1.00 35.45 H new ATOM 0 HG3 GLU B 99 15.173 10.578 -3.143 1.00 35.45 H new ATOM 3346 N THR B 100 17.245 6.811 -4.906 1.00 11.52 N ATOM 3347 CA THR B 100 17.671 6.396 -6.236 1.00 53.20 C ATOM 3348 C THR B 100 16.584 6.690 -7.295 1.00 63.44 C ATOM 3349 O THR B 100 15.552 7.307 -6.999 1.00 41.23 O ATOM 3350 CB THR B 100 18.035 4.894 -6.272 1.00 23.10 C ATOM 3351 OG1 THR B 100 16.939 4.086 -5.802 1.00 54.40 O ATOM 3352 CG2 THR B 100 19.289 4.610 -5.464 1.00 13.54 C ATOM 0 H THR B 100 16.968 6.038 -4.302 1.00 11.52 H new ATOM 0 HA THR B 100 18.561 6.978 -6.476 1.00 53.20 H new ATOM 0 HB THR B 100 18.236 4.631 -7.310 1.00 23.10 H new ATOM 0 HG1 THR B 100 16.807 4.240 -4.843 1.00 54.40 H new ATOM 0 HG21 THR B 100 19.518 3.545 -5.510 1.00 13.54 H new ATOM 0 HG22 THR B 100 20.123 5.178 -5.875 1.00 13.54 H new ATOM 0 HG23 THR B 100 19.127 4.902 -4.426 1.00 13.54 H new ATOM 3360 N VAL B 101 16.804 6.239 -8.510 1.00 73.13 N ATOM 3361 CA VAL B 101 15.875 6.492 -9.580 1.00 2.55 C ATOM 3362 C VAL B 101 15.185 5.185 -10.012 1.00 73.13 C ATOM 3363 O VAL B 101 15.824 4.133 -10.101 1.00 34.43 O ATOM 3364 CB VAL B 101 16.577 7.203 -10.789 1.00 73.50 C ATOM 3365 CG1 VAL B 101 17.728 6.382 -11.327 1.00 24.20 C ATOM 3366 CG2 VAL B 101 15.590 7.535 -11.900 1.00 43.24 C ATOM 0 H VAL B 101 17.623 5.693 -8.779 1.00 73.13 H new ATOM 0 HA VAL B 101 15.107 7.173 -9.213 1.00 2.55 H new ATOM 0 HB VAL B 101 16.981 8.142 -10.410 1.00 73.50 H new ATOM 0 HG11 VAL B 101 18.189 6.907 -12.164 1.00 24.20 H new ATOM 0 HG12 VAL B 101 18.467 6.232 -10.540 1.00 24.20 H new ATOM 0 HG13 VAL B 101 17.358 5.414 -11.666 1.00 24.20 H new ATOM 0 HG21 VAL B 101 16.116 8.026 -12.719 1.00 43.24 H new ATOM 0 HG22 VAL B 101 15.129 6.617 -12.264 1.00 43.24 H new ATOM 0 HG23 VAL B 101 14.818 8.200 -11.514 1.00 43.24 H new ATOM 3376 N PHE B 102 13.888 5.254 -10.214 1.00 20.24 N ATOM 3377 CA PHE B 102 13.095 4.120 -10.642 1.00 13.20 C ATOM 3378 C PHE B 102 12.089 4.559 -11.697 1.00 14.03 C ATOM 3379 O PHE B 102 11.356 5.538 -11.495 1.00 64.44 O ATOM 3380 CB PHE B 102 12.375 3.486 -9.436 1.00 33.54 C ATOM 3381 CG PHE B 102 11.495 2.306 -9.777 1.00 61.31 C ATOM 3382 CD1 PHE B 102 12.044 1.058 -10.012 1.00 54.31 C ATOM 3383 CD2 PHE B 102 10.114 2.449 -9.854 1.00 11.24 C ATOM 3384 CE1 PHE B 102 11.241 -0.024 -10.319 1.00 25.22 C ATOM 3385 CE2 PHE B 102 9.306 1.372 -10.161 1.00 35.13 C ATOM 3386 CZ PHE B 102 9.872 0.134 -10.394 1.00 14.15 C ATOM 0 H PHE B 102 13.347 6.109 -10.085 1.00 20.24 H new ATOM 0 HA PHE B 102 13.754 3.370 -11.079 1.00 13.20 H new ATOM 0 HB2 PHE B 102 13.123 3.167 -8.710 1.00 33.54 H new ATOM 0 HB3 PHE B 102 11.766 4.249 -8.951 1.00 33.54 H new ATOM 0 HD1 PHE B 102 13.115 0.928 -9.955 1.00 54.31 H new ATOM 0 HD2 PHE B 102 9.667 3.415 -9.671 1.00 11.24 H new ATOM 0 HE1 PHE B 102 11.684 -0.992 -10.500 1.00 25.22 H new ATOM 0 HE2 PHE B 102 8.235 1.497 -10.219 1.00 35.13 H new ATOM 0 HZ PHE B 102 9.243 -0.710 -10.635 1.00 14.15 H new ATOM 3396 N ARG B 103 12.076 3.842 -12.822 1.00 21.43 N ATOM 3397 CA ARG B 103 11.186 4.086 -13.968 1.00 63.14 C ATOM 3398 C ARG B 103 11.196 5.575 -14.431 1.00 51.45 C ATOM 3399 O ARG B 103 10.220 6.112 -14.964 1.00 33.42 O ATOM 3400 CB ARG B 103 9.781 3.515 -13.655 1.00 64.23 C ATOM 3401 CG ARG B 103 8.754 3.616 -14.779 1.00 32.11 C ATOM 3402 CD ARG B 103 7.641 2.615 -14.571 1.00 2.24 C ATOM 3403 NE ARG B 103 8.132 1.230 -14.777 1.00 11.23 N ATOM 3404 CZ ARG B 103 7.866 0.183 -13.990 1.00 2.33 C ATOM 3405 NH1 ARG B 103 7.262 0.371 -12.825 1.00 55.31 N ATOM 3406 NH2 ARG B 103 8.253 -1.038 -14.348 1.00 3.55 N ATOM 0 H ARG B 103 12.702 3.050 -12.969 1.00 21.43 H new ATOM 0 HA ARG B 103 11.563 3.551 -14.839 1.00 63.14 H new ATOM 0 HB2 ARG B 103 9.889 2.465 -13.382 1.00 64.23 H new ATOM 0 HB3 ARG B 103 9.386 4.033 -12.781 1.00 64.23 H new ATOM 0 HG2 ARG B 103 8.342 4.625 -14.814 1.00 32.11 H new ATOM 0 HG3 ARG B 103 9.238 3.436 -15.739 1.00 32.11 H new ATOM 0 HD2 ARG B 103 7.238 2.717 -13.563 1.00 2.24 H new ATOM 0 HD3 ARG B 103 6.825 2.823 -15.263 1.00 2.24 H new ATOM 0 HE ARG B 103 8.724 1.062 -15.590 1.00 11.23 H new ATOM 0 HH11 ARG B 103 7.002 1.313 -12.532 1.00 55.31 H new ATOM 0 HH12 ARG B 103 7.058 -0.426 -12.222 1.00 55.31 H new ATOM 0 HH21 ARG B 103 8.754 -1.177 -15.225 1.00 3.55 H new ATOM 0 HH22 ARG B 103 8.049 -1.835 -13.745 1.00 3.55 H new ATOM 3420 N GLY B 104 12.345 6.194 -14.271 1.00 1.22 N ATOM 3421 CA GLY B 104 12.550 7.535 -14.777 1.00 60.22 C ATOM 3422 C GLY B 104 12.333 8.640 -13.757 1.00 32.23 C ATOM 3423 O GLY B 104 12.426 9.821 -14.103 1.00 23.13 O ATOM 0 H GLY B 104 13.152 5.791 -13.795 1.00 1.22 H new ATOM 0 HA2 GLY B 104 13.566 7.611 -15.164 1.00 60.22 H new ATOM 0 HA3 GLY B 104 11.876 7.698 -15.618 1.00 60.22 H new ATOM 3427 N ARG B 105 12.040 8.291 -12.518 1.00 1.32 N ATOM 3428 CA ARG B 105 11.875 9.312 -11.484 1.00 45.10 C ATOM 3429 C ARG B 105 12.611 8.933 -10.221 1.00 72.34 C ATOM 3430 O ARG B 105 12.898 7.761 -9.991 1.00 52.50 O ATOM 3431 CB ARG B 105 10.402 9.585 -11.163 1.00 14.42 C ATOM 3432 CG ARG B 105 9.625 8.385 -10.645 1.00 70.00 C ATOM 3433 CD ARG B 105 8.228 8.795 -10.228 1.00 14.43 C ATOM 3434 NE ARG B 105 7.494 9.413 -11.321 1.00 13.31 N ATOM 3435 CZ ARG B 105 6.473 10.253 -11.179 1.00 34.51 C ATOM 3436 NH1 ARG B 105 6.047 10.607 -9.962 1.00 50.23 N ATOM 3437 NH2 ARG B 105 5.884 10.743 -12.252 1.00 43.44 N ATOM 0 H ARG B 105 11.912 7.330 -12.201 1.00 1.32 H new ATOM 0 HA ARG B 105 12.305 10.229 -11.887 1.00 45.10 H new ATOM 0 HB2 ARG B 105 10.349 10.381 -10.421 1.00 14.42 H new ATOM 0 HB3 ARG B 105 9.912 9.955 -12.063 1.00 14.42 H new ATOM 0 HG2 ARG B 105 9.570 7.619 -11.419 1.00 70.00 H new ATOM 0 HG3 ARG B 105 10.149 7.944 -9.797 1.00 70.00 H new ATOM 0 HD2 ARG B 105 7.683 7.920 -9.874 1.00 14.43 H new ATOM 0 HD3 ARG B 105 8.289 9.492 -9.392 1.00 14.43 H new ATOM 0 HE ARG B 105 7.785 9.184 -12.271 1.00 13.31 H new ATOM 0 HH11 ARG B 105 6.506 10.232 -9.132 1.00 50.23 H new ATOM 0 HH12 ARG B 105 5.263 11.252 -9.864 1.00 50.23 H new ATOM 0 HH21 ARG B 105 6.212 10.477 -13.180 1.00 43.44 H new ATOM 0 HH22 ARG B 105 5.100 11.388 -12.154 1.00 43.44 H new ATOM 3451 N THR B 106 12.902 9.910 -9.409 1.00 25.10 N ATOM 3452 CA THR B 106 13.591 9.682 -8.171 1.00 34.11 C ATOM 3453 C THR B 106 12.575 9.309 -7.086 1.00 51.24 C ATOM 3454 O THR B 106 11.662 10.078 -6.795 1.00 21.34 O ATOM 3455 CB THR B 106 14.349 10.959 -7.763 1.00 3.42 C ATOM 3456 OG1 THR B 106 15.248 11.342 -8.827 1.00 3.14 O ATOM 3457 CG2 THR B 106 15.145 10.745 -6.490 1.00 54.34 C ATOM 0 H THR B 106 12.668 10.887 -9.587 1.00 25.10 H new ATOM 0 HA THR B 106 14.304 8.866 -8.292 1.00 34.11 H new ATOM 0 HB THR B 106 13.618 11.747 -7.582 1.00 3.42 H new ATOM 0 HG1 THR B 106 15.730 12.156 -8.571 1.00 3.14 H new ATOM 0 HG21 THR B 106 15.668 11.665 -6.229 1.00 54.34 H new ATOM 0 HG22 THR B 106 14.469 10.470 -5.680 1.00 54.34 H new ATOM 0 HG23 THR B 106 15.870 9.946 -6.644 1.00 54.34 H new ATOM 3465 N ILE B 107 12.722 8.140 -6.523 1.00 40.21 N ATOM 3466 CA ILE B 107 11.826 7.675 -5.470 1.00 42.11 C ATOM 3467 C ILE B 107 12.507 7.807 -4.129 1.00 42.10 C ATOM 3468 O ILE B 107 13.690 8.134 -4.072 1.00 14.33 O ATOM 3469 CB ILE B 107 11.414 6.187 -5.676 1.00 51.42 C ATOM 3470 CG1 ILE B 107 12.662 5.268 -5.660 1.00 24.24 C ATOM 3471 CG2 ILE B 107 10.632 6.028 -6.982 1.00 73.10 C ATOM 3472 CD1 ILE B 107 12.349 3.787 -5.738 1.00 62.22 C ATOM 0 H ILE B 107 13.458 7.478 -6.771 1.00 40.21 H new ATOM 0 HA ILE B 107 10.928 8.291 -5.508 1.00 42.11 H new ATOM 0 HB ILE B 107 10.766 5.887 -4.852 1.00 51.42 H new ATOM 0 HG12 ILE B 107 13.306 5.536 -6.498 1.00 24.24 H new ATOM 0 HG13 ILE B 107 13.228 5.460 -4.749 1.00 24.24 H new ATOM 0 HG21 ILE B 107 10.351 4.983 -7.113 1.00 73.10 H new ATOM 0 HG22 ILE B 107 9.733 6.644 -6.945 1.00 73.10 H new ATOM 0 HG23 ILE B 107 11.254 6.344 -7.819 1.00 73.10 H new ATOM 0 HD11 ILE B 107 13.278 3.217 -5.721 1.00 62.22 H new ATOM 0 HD12 ILE B 107 11.732 3.500 -4.886 1.00 62.22 H new ATOM 0 HD13 ILE B 107 11.811 3.577 -6.663 1.00 62.22 H new ATOM 3484 N LYS B 108 11.778 7.578 -3.052 1.00 31.52 N ATOM 3485 CA LYS B 108 12.379 7.698 -1.744 1.00 12.14 C ATOM 3486 C LYS B 108 12.016 6.431 -0.946 1.00 54.44 C ATOM 3487 O LYS B 108 10.853 6.025 -0.929 1.00 43.11 O ATOM 3488 CB LYS B 108 11.868 8.946 -0.996 1.00 65.11 C ATOM 3489 CG LYS B 108 12.897 9.687 -0.085 1.00 14.11 C ATOM 3490 CD LYS B 108 13.918 8.770 0.584 1.00 35.42 C ATOM 3491 CE LYS B 108 14.813 9.512 1.586 1.00 12.01 C ATOM 3492 NZ LYS B 108 15.968 10.220 0.956 1.00 25.11 N ATOM 0 H LYS B 108 10.793 7.314 -3.058 1.00 31.52 H new ATOM 0 HA LYS B 108 13.459 7.804 -1.851 1.00 12.14 H new ATOM 0 HB2 LYS B 108 11.494 9.656 -1.734 1.00 65.11 H new ATOM 0 HB3 LYS B 108 11.019 8.650 -0.380 1.00 65.11 H new ATOM 0 HG2 LYS B 108 13.428 10.427 -0.684 1.00 14.11 H new ATOM 0 HG3 LYS B 108 12.354 10.232 0.687 1.00 14.11 H new ATOM 0 HD2 LYS B 108 13.394 7.964 1.098 1.00 35.42 H new ATOM 0 HD3 LYS B 108 14.542 8.308 -0.181 1.00 35.42 H new ATOM 0 HE2 LYS B 108 14.208 10.237 2.131 1.00 12.01 H new ATOM 0 HE3 LYS B 108 15.192 8.799 2.318 1.00 12.01 H new ATOM 0 HZ1 LYS B 108 16.363 10.907 1.629 1.00 25.11 H new ATOM 0 HZ2 LYS B 108 16.700 9.528 0.697 1.00 25.11 H new ATOM 0 HZ3 LYS B 108 15.646 10.719 0.102 1.00 25.11 H new ATOM 3506 N VAL B 109 13.000 5.824 -0.315 1.00 61.11 N ATOM 3507 CA VAL B 109 12.816 4.616 0.472 1.00 53.25 C ATOM 3508 C VAL B 109 13.284 4.906 1.910 1.00 12.22 C ATOM 3509 O VAL B 109 14.368 5.454 2.108 1.00 13.23 O ATOM 3510 CB VAL B 109 13.653 3.417 -0.101 1.00 33.01 C ATOM 3511 CG1 VAL B 109 13.294 2.109 0.602 1.00 3.24 C ATOM 3512 CG2 VAL B 109 13.469 3.267 -1.600 1.00 74.14 C ATOM 0 H VAL B 109 13.964 6.158 -0.333 1.00 61.11 H new ATOM 0 HA VAL B 109 11.763 4.336 0.442 1.00 53.25 H new ATOM 0 HB VAL B 109 14.702 3.643 0.091 1.00 33.01 H new ATOM 0 HG11 VAL B 109 13.889 1.297 0.185 1.00 3.24 H new ATOM 0 HG12 VAL B 109 13.501 2.200 1.668 1.00 3.24 H new ATOM 0 HG13 VAL B 109 12.235 1.896 0.455 1.00 3.24 H new ATOM 0 HG21 VAL B 109 14.064 2.427 -1.957 1.00 74.14 H new ATOM 0 HG22 VAL B 109 12.417 3.086 -1.821 1.00 74.14 H new ATOM 0 HG23 VAL B 109 13.793 4.180 -2.100 1.00 74.14 H new ATOM 3522 N LEU B 110 12.469 4.566 2.890 1.00 1.10 N ATOM 3523 CA LEU B 110 12.775 4.779 4.313 1.00 1.04 C ATOM 3524 C LEU B 110 12.384 3.533 5.092 1.00 61.22 C ATOM 3525 O LEU B 110 11.668 2.732 4.580 1.00 44.23 O ATOM 3526 CB LEU B 110 11.942 5.951 4.864 1.00 70.22 C ATOM 3527 CG LEU B 110 12.269 7.344 4.370 1.00 54.55 C ATOM 3528 CD1 LEU B 110 11.242 8.336 4.924 1.00 41.42 C ATOM 3529 CD2 LEU B 110 13.675 7.718 4.832 1.00 1.42 C ATOM 0 H LEU B 110 11.562 4.128 2.730 1.00 1.10 H new ATOM 0 HA LEU B 110 13.839 4.994 4.416 1.00 1.04 H new ATOM 0 HB2 LEU B 110 10.894 5.753 4.637 1.00 70.22 H new ATOM 0 HB3 LEU B 110 12.039 5.949 5.950 1.00 70.22 H new ATOM 0 HG LEU B 110 12.231 7.374 3.281 1.00 54.55 H new ATOM 0 HD11 LEU B 110 11.477 9.339 4.569 1.00 41.42 H new ATOM 0 HD12 LEU B 110 10.245 8.055 4.585 1.00 41.42 H new ATOM 0 HD13 LEU B 110 11.272 8.321 6.013 1.00 41.42 H new ATOM 0 HD21 LEU B 110 13.919 8.720 4.480 1.00 1.42 H new ATOM 0 HD22 LEU B 110 13.718 7.695 5.921 1.00 1.42 H new ATOM 0 HD23 LEU B 110 14.393 7.006 4.425 1.00 1.42 H new ATOM 3541 N PRO B 111 12.873 3.343 6.322 1.00 15.15 N ATOM 3542 CA PRO B 111 12.424 2.235 7.202 1.00 13.30 C ATOM 3543 C PRO B 111 10.994 2.525 7.764 1.00 64.45 C ATOM 3544 O PRO B 111 10.643 3.692 8.002 1.00 55.35 O ATOM 3545 CB PRO B 111 13.479 2.239 8.330 1.00 14.13 C ATOM 3546 CG PRO B 111 14.579 3.128 7.824 1.00 12.22 C ATOM 3547 CD PRO B 111 13.921 4.131 6.954 1.00 70.32 C ATOM 0 HA PRO B 111 12.351 1.275 6.691 1.00 13.30 H new ATOM 0 HB2 PRO B 111 13.060 2.619 9.262 1.00 14.13 H new ATOM 0 HB3 PRO B 111 13.845 1.233 8.532 1.00 14.13 H new ATOM 0 HG2 PRO B 111 15.103 3.610 8.649 1.00 12.22 H new ATOM 0 HG3 PRO B 111 15.320 2.554 7.268 1.00 12.22 H new ATOM 0 HD2 PRO B 111 13.515 4.965 7.527 1.00 70.32 H new ATOM 0 HD3 PRO B 111 14.611 4.553 6.223 1.00 70.32 H new ATOM 3555 N LYS B 112 10.181 1.474 7.986 1.00 32.42 N ATOM 3556 CA LYS B 112 8.763 1.653 8.356 1.00 42.34 C ATOM 3557 C LYS B 112 8.245 0.373 9.081 1.00 24.54 C ATOM 3558 O LYS B 112 9.027 -0.504 9.383 1.00 42.04 O ATOM 3559 CB LYS B 112 8.004 1.858 7.030 1.00 3.40 C ATOM 3560 CG LYS B 112 6.992 3.015 6.979 1.00 50.25 C ATOM 3561 CD LYS B 112 5.663 2.730 7.667 1.00 35.22 C ATOM 3562 CE LYS B 112 4.961 1.528 7.021 1.00 41.30 C ATOM 3563 NZ LYS B 112 3.591 1.334 7.513 1.00 70.31 N ATOM 0 H LYS B 112 10.478 0.501 7.917 1.00 32.42 H new ATOM 0 HA LYS B 112 8.621 2.498 9.030 1.00 42.34 H new ATOM 0 HB2 LYS B 112 8.738 2.014 6.240 1.00 3.40 H new ATOM 0 HB3 LYS B 112 7.475 0.934 6.796 1.00 3.40 H new ATOM 0 HG2 LYS B 112 7.443 3.894 7.439 1.00 50.25 H new ATOM 0 HG3 LYS B 112 6.799 3.265 5.936 1.00 50.25 H new ATOM 0 HD2 LYS B 112 5.832 2.532 8.726 1.00 35.22 H new ATOM 0 HD3 LYS B 112 5.021 3.608 7.605 1.00 35.22 H new ATOM 0 HE2 LYS B 112 4.937 1.665 5.940 1.00 41.30 H new ATOM 0 HE3 LYS B 112 5.542 0.627 7.215 1.00 41.30 H new ATOM 0 HZ1 LYS B 112 3.167 0.509 7.043 1.00 70.31 H new ATOM 0 HZ2 LYS B 112 3.610 1.174 8.541 1.00 70.31 H new ATOM 0 HZ3 LYS B 112 3.024 2.181 7.305 1.00 70.31 H new