USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1279 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 NoAdj-H: B 569 HIS HD1 : B 569 HIS ND1 : B 701 ZNZN :(H bumps) USER MOD NoAdj-H: B 572 HIS HD1 : B 572 HIS ND1 : B 701 ZNZN :(H bumps) USER MOD Set 1.1: B 562 THR OG1 : rot 180:sc= 0.0242 USER MOD Set 1.2: B 567 LYS NZ :NH3+ 140:sc= 0.0241 (180deg=0) USER MOD Set 2.1: A 75 THR OG1 : rot 91:sc= -1.73 USER MOD Set 2.2: B 602 LYS NZ :NH3+ 149:sc= -0.244 (180deg=-1.76!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= -0.379 (180deg=-1.35!) USER MOD Single : A 8 MET CE :methyl -132:sc= 0 (180deg=-0.0214) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 33:sc= -3.2! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-0.27) USER MOD Single : A 25 THR OG1 : rot -74:sc= -0.117 USER MOD Single : A 28 ASN : amide:sc= -2.87! K(o=-2.9!,f=-1.4) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.748 USER MOD Single : A 40 HIS : no HD1:sc= -0.573 K(o=-0.57,f=-0.024) USER MOD Single : A 45 MET CE :methyl 164:sc= -1.61 (180deg=-2.49) USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.108) USER MOD Single : A 51 LYS NZ :NH3+ -132:sc= -5.18! (180deg=-8.52!) USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= -6.73! (180deg=-8.9!) USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= -0.307 (180deg=-1.08) USER MOD Single : A 59 SER OG : rot 180:sc= -0.544 USER MOD Single : A 61 HIS : no HE2:sc= -3.39 K(o=-3.4,f=-11!) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= -0.0155 (180deg=-0.196) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0973 USER MOD Single : A 74 LYS NZ :NH3+ 145:sc= -0.0186 (180deg=-1.49!) USER MOD Single : A 76 HIS : no HD1:sc= -4.33! K(o=-4.3!,f=0.22) USER MOD Single : A 78 THR OG1 : rot -170:sc= -0.715 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -3.05! K(o=-3.1!,f=-1.4) USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.147) USER MOD Single : A 91 GLN : amide:sc= -5.27! C(o=-5.3!,f=-5!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.265 USER MOD Single : B 541 TYR OH : rot 180:sc= 0 USER MOD Single : B 542 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.02) USER MOD Single : B 547 SER OG : rot 33:sc= 1.25 USER MOD Single : B 550 SER OG : rot 130:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.56! K(o=-3.6!,f=-1.1) USER MOD Single : B 554 LYS NZ :NH3+ -158:sc= -0.0235 (180deg=-0.722) USER MOD Single : B 557 THR OG1 : rot 37:sc= 0.965 USER MOD Single : B 560 CYS SG : rot 35:sc= 0.308 USER MOD Single : B 564 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 566 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 580 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.571) USER MOD Single : B 581 GLN : amide:sc= -4.56! K(o=-4.6!,f=-2.2) USER MOD Single : B 583 ASN : amide:sc= -2.12! C(o=-2.1!,f=-4.1!) USER MOD Single : B 584 LYS NZ :NH3+ 168:sc= -1.21 (180deg=-2.05!) USER MOD Single : B 586 THR OG1 : rot 180:sc= -0.426 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.81) USER MOD Single : B 591 ASN : amide:sc= -9! C(o=-9!,f=-5.9!) USER MOD Single : B 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 595 TYR OH : rot 180:sc= 0 USER MOD Single : B 597 GLN : amide:sc= -4.43! K(o=-4.4!,f=-0.15) USER MOD Single : B 598 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.44) USER MOD Single : B 605 CYS SG : rot -61:sc= -0.0785 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 93.231 -28.277 7.960 1.00 0.00 N ATOM 2 CA MET A 1 93.040 -27.284 6.864 1.00 0.00 C ATOM 3 C MET A 1 94.246 -26.370 6.813 1.00 0.00 C ATOM 4 O MET A 1 95.101 -26.480 5.958 1.00 0.00 O ATOM 5 CB MET A 1 91.808 -26.414 7.138 1.00 0.00 C ATOM 6 CG MET A 1 90.596 -27.286 7.419 1.00 0.00 C ATOM 7 SD MET A 1 89.827 -27.789 5.860 1.00 0.00 S ATOM 8 CE MET A 1 88.191 -28.175 6.531 1.00 0.00 C ATOM 0 H1 MET A 1 92.785 -29.178 7.694 1.00 0.00 H new ATOM 0 H2 MET A 1 94.248 -28.428 8.119 1.00 0.00 H new ATOM 0 H3 MET A 1 92.794 -27.919 8.833 1.00 0.00 H new ATOM 0 HA MET A 1 92.911 -27.823 5.925 1.00 0.00 H new ATOM 0 HB2 MET A 1 91.999 -25.760 7.989 1.00 0.00 H new ATOM 0 HB3 MET A 1 91.611 -25.771 6.280 1.00 0.00 H new ATOM 0 HG2 MET A 1 90.894 -28.166 7.988 1.00 0.00 H new ATOM 0 HG3 MET A 1 89.877 -26.740 8.030 1.00 0.00 H new ATOM 0 HE1 MET A 1 87.538 -28.513 5.726 1.00 0.00 H new ATOM 0 HE2 MET A 1 88.281 -28.962 7.280 1.00 0.00 H new ATOM 0 HE3 MET A 1 87.767 -27.283 6.992 1.00 0.00 H new ATOM 18 N ALA A 2 94.303 -25.460 7.738 1.00 0.00 N ATOM 19 CA ALA A 2 95.438 -24.501 7.781 1.00 0.00 C ATOM 20 C ALA A 2 95.223 -23.539 8.938 1.00 0.00 C ATOM 21 O ALA A 2 96.089 -22.756 9.270 1.00 0.00 O ATOM 22 CB ALA A 2 95.495 -23.706 6.476 1.00 0.00 C ATOM 0 H ALA A 2 93.607 -25.337 8.473 1.00 0.00 H new ATOM 0 HA ALA A 2 96.372 -25.047 7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 2 96.329 -23.005 6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 2 95.633 -24.390 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 2 94.563 -23.155 6.344 1.00 0.00 H new ATOM 28 N LEU A 3 94.072 -23.591 9.555 1.00 0.00 N ATOM 29 CA LEU A 3 93.792 -22.682 10.702 1.00 0.00 C ATOM 30 C LEU A 3 94.997 -22.617 11.612 1.00 0.00 C ATOM 31 O LEU A 3 95.632 -21.598 11.782 1.00 0.00 O ATOM 32 CB LEU A 3 92.651 -23.267 11.521 1.00 0.00 C ATOM 33 CG LEU A 3 91.416 -23.539 10.627 1.00 0.00 C ATOM 34 CD1 LEU A 3 91.213 -25.049 10.474 1.00 0.00 C ATOM 35 CD2 LEU A 3 90.174 -22.940 11.273 1.00 0.00 C ATOM 0 H LEU A 3 93.312 -24.227 9.312 1.00 0.00 H new ATOM 0 HA LEU A 3 93.547 -21.692 10.316 1.00 0.00 H new ATOM 0 HB2 LEU A 3 92.975 -24.194 11.994 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.382 -22.578 12.322 1.00 0.00 H new ATOM 0 HG LEU A 3 91.580 -23.087 9.649 1.00 0.00 H new ATOM 0 HD11 LEU A 3 90.343 -25.237 9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 3 92.097 -25.490 10.013 1.00 0.00 H new ATOM 0 HD13 LEU A 3 91.054 -25.496 11.455 1.00 0.00 H new ATOM 0 HD21 LEU A 3 89.307 -23.133 10.642 1.00 0.00 H new ATOM 0 HD22 LEU A 3 90.018 -23.393 12.252 1.00 0.00 H new ATOM 0 HD23 LEU A 3 90.307 -21.864 11.388 1.00 0.00 H new ATOM 47 N ASP A 4 95.285 -23.720 12.209 1.00 0.00 N ATOM 48 CA ASP A 4 96.427 -23.795 13.137 1.00 0.00 C ATOM 49 C ASP A 4 97.712 -23.861 12.320 1.00 0.00 C ATOM 50 O ASP A 4 98.780 -24.140 12.828 1.00 0.00 O ATOM 51 CB ASP A 4 96.279 -25.051 13.993 1.00 0.00 C ATOM 52 CG ASP A 4 97.550 -25.280 14.815 1.00 0.00 C ATOM 53 OD1 ASP A 4 98.292 -26.189 14.481 1.00 0.00 O ATOM 54 OD2 ASP A 4 97.759 -24.542 15.763 1.00 0.00 O ATOM 0 H ASP A 4 94.768 -24.592 12.092 1.00 0.00 H new ATOM 0 HA ASP A 4 96.458 -22.920 13.787 1.00 0.00 H new ATOM 0 HB2 ASP A 4 95.421 -24.949 14.657 1.00 0.00 H new ATOM 0 HB3 ASP A 4 96.088 -25.914 13.356 1.00 0.00 H new ATOM 59 N GLY A 5 97.613 -23.587 11.054 1.00 0.00 N ATOM 60 CA GLY A 5 98.829 -23.615 10.195 1.00 0.00 C ATOM 61 C GLY A 5 99.808 -22.603 10.760 1.00 0.00 C ATOM 62 O GLY A 5 100.975 -22.564 10.423 1.00 0.00 O ATOM 0 H GLY A 5 96.746 -23.345 10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 5 99.270 -24.612 10.186 1.00 0.00 H new ATOM 0 HA3 GLY A 5 98.576 -23.370 9.164 1.00 0.00 H new ATOM 66 N ILE A 6 99.304 -21.779 11.623 1.00 0.00 N ATOM 67 CA ILE A 6 100.114 -20.716 12.274 1.00 0.00 C ATOM 68 C ILE A 6 100.185 -21.043 13.766 1.00 0.00 C ATOM 69 O ILE A 6 100.818 -22.005 14.134 1.00 0.00 O ATOM 70 CB ILE A 6 99.442 -19.346 11.991 1.00 0.00 C ATOM 71 CG1 ILE A 6 97.954 -19.564 11.623 1.00 0.00 C ATOM 72 CG2 ILE A 6 100.170 -18.622 10.838 1.00 0.00 C ATOM 73 CD1 ILE A 6 97.790 -20.029 10.162 1.00 0.00 C ATOM 0 H ILE A 6 98.327 -21.797 11.917 1.00 0.00 H new ATOM 0 HA ILE A 6 101.131 -20.666 11.886 1.00 0.00 H new ATOM 0 HB ILE A 6 99.505 -18.727 12.886 1.00 0.00 H new ATOM 0 HG12 ILE A 6 97.519 -20.306 12.292 1.00 0.00 H new ATOM 0 HG13 ILE A 6 97.402 -18.636 11.774 1.00 0.00 H new ATOM 0 HG21 ILE A 6 99.689 -17.662 10.650 1.00 0.00 H new ATOM 0 HG22 ILE A 6 101.212 -18.458 11.112 1.00 0.00 H new ATOM 0 HG23 ILE A 6 100.124 -19.234 9.937 1.00 0.00 H new ATOM 0 HD11 ILE A 6 96.732 -20.171 9.942 1.00 0.00 H new ATOM 0 HD12 ILE A 6 98.202 -19.275 9.492 1.00 0.00 H new ATOM 0 HD13 ILE A 6 98.320 -20.970 10.018 1.00 0.00 H new ATOM 85 N ARG A 7 99.556 -20.285 14.626 1.00 0.00 N ATOM 86 CA ARG A 7 99.615 -20.593 16.056 1.00 0.00 C ATOM 87 C ARG A 7 98.688 -19.684 16.853 1.00 0.00 C ATOM 88 O ARG A 7 97.565 -20.039 17.155 1.00 0.00 O ATOM 89 CB ARG A 7 101.070 -20.424 16.557 1.00 0.00 C ATOM 90 CG ARG A 7 101.286 -21.353 17.736 1.00 0.00 C ATOM 91 CD ARG A 7 101.416 -22.782 17.210 1.00 0.00 C ATOM 92 NE ARG A 7 102.854 -23.160 17.137 1.00 0.00 N ATOM 93 CZ ARG A 7 103.192 -24.391 16.866 1.00 0.00 C ATOM 94 NH1 ARG A 7 104.452 -24.725 16.806 1.00 0.00 N ATOM 95 NH2 ARG A 7 102.269 -25.290 16.654 1.00 0.00 N ATOM 0 H ARG A 7 99.004 -19.463 14.382 1.00 0.00 H new ATOM 0 HA ARG A 7 99.288 -21.622 16.202 1.00 0.00 H new ATOM 0 HB2 ARG A 7 101.775 -20.656 15.758 1.00 0.00 H new ATOM 0 HB3 ARG A 7 101.251 -19.390 16.852 1.00 0.00 H new ATOM 0 HG2 ARG A 7 102.184 -21.068 18.283 1.00 0.00 H new ATOM 0 HG3 ARG A 7 100.451 -21.280 18.433 1.00 0.00 H new ATOM 0 HD2 ARG A 7 100.882 -23.471 17.864 1.00 0.00 H new ATOM 0 HD3 ARG A 7 100.959 -22.860 16.224 1.00 0.00 H new ATOM 0 HE ARG A 7 103.575 -22.457 17.299 1.00 0.00 H new ATOM 0 HH11 ARG A 7 105.174 -24.024 16.971 1.00 0.00 H new ATOM 0 HH12 ARG A 7 104.715 -25.687 16.594 1.00 0.00 H new ATOM 0 HH21 ARG A 7 101.284 -25.030 16.700 1.00 0.00 H new ATOM 0 HH22 ARG A 7 102.533 -26.252 16.442 1.00 0.00 H new ATOM 109 N MET A 8 99.182 -18.550 17.254 1.00 0.00 N ATOM 110 CA MET A 8 98.378 -17.619 18.114 1.00 0.00 C ATOM 111 C MET A 8 98.121 -16.257 17.426 1.00 0.00 C ATOM 112 O MET A 8 96.992 -15.821 17.363 1.00 0.00 O ATOM 113 CB MET A 8 99.093 -17.432 19.485 1.00 0.00 C ATOM 114 CG MET A 8 100.262 -18.431 19.630 1.00 0.00 C ATOM 115 SD MET A 8 100.602 -18.704 21.386 1.00 0.00 S ATOM 116 CE MET A 8 101.436 -17.130 21.702 1.00 0.00 C ATOM 0 H MET A 8 100.118 -18.217 17.024 1.00 0.00 H new ATOM 0 HA MET A 8 97.398 -18.068 18.276 1.00 0.00 H new ATOM 0 HB2 MET A 8 99.467 -16.412 19.570 1.00 0.00 H new ATOM 0 HB3 MET A 8 98.380 -17.579 20.296 1.00 0.00 H new ATOM 0 HG2 MET A 8 100.011 -19.375 19.146 1.00 0.00 H new ATOM 0 HG3 MET A 8 101.151 -18.043 19.132 1.00 0.00 H new ATOM 0 HE1 MET A 8 102.364 -17.312 22.244 1.00 0.00 H new ATOM 0 HE2 MET A 8 101.659 -16.640 20.754 1.00 0.00 H new ATOM 0 HE3 MET A 8 100.788 -16.488 22.299 1.00 0.00 H new ATOM 126 N PRO A 9 99.121 -15.569 16.924 1.00 0.00 N ATOM 127 CA PRO A 9 98.908 -14.240 16.265 1.00 0.00 C ATOM 128 C PRO A 9 97.923 -14.344 15.112 1.00 0.00 C ATOM 129 O PRO A 9 97.113 -13.469 14.875 1.00 0.00 O ATOM 130 CB PRO A 9 100.306 -13.864 15.758 1.00 0.00 C ATOM 131 CG PRO A 9 101.210 -14.586 16.678 1.00 0.00 C ATOM 132 CD PRO A 9 100.543 -15.935 16.902 1.00 0.00 C ATOM 0 HA PRO A 9 98.485 -13.499 16.943 1.00 0.00 H new ATOM 0 HB2 PRO A 9 100.455 -14.173 14.723 1.00 0.00 H new ATOM 0 HB3 PRO A 9 100.471 -12.787 15.796 1.00 0.00 H new ATOM 0 HG2 PRO A 9 102.203 -14.703 16.245 1.00 0.00 H new ATOM 0 HG3 PRO A 9 101.333 -14.045 17.616 1.00 0.00 H new ATOM 0 HD2 PRO A 9 100.771 -16.641 16.103 1.00 0.00 H new ATOM 0 HD3 PRO A 9 100.860 -16.398 17.837 1.00 0.00 H new ATOM 140 N ASP A 10 98.006 -15.423 14.398 1.00 0.00 N ATOM 141 CA ASP A 10 97.105 -15.656 13.235 1.00 0.00 C ATOM 142 C ASP A 10 96.378 -16.975 13.441 1.00 0.00 C ATOM 143 O ASP A 10 95.340 -17.230 12.863 1.00 0.00 O ATOM 144 CB ASP A 10 97.959 -15.738 11.978 1.00 0.00 C ATOM 145 CG ASP A 10 97.061 -15.756 10.740 1.00 0.00 C ATOM 146 OD1 ASP A 10 96.377 -16.748 10.544 1.00 0.00 O ATOM 147 OD2 ASP A 10 97.072 -14.779 10.010 1.00 0.00 O ATOM 0 H ASP A 10 98.675 -16.173 14.572 1.00 0.00 H new ATOM 0 HA ASP A 10 96.379 -14.848 13.140 1.00 0.00 H new ATOM 0 HB2 ASP A 10 98.638 -14.887 11.933 1.00 0.00 H new ATOM 0 HB3 ASP A 10 98.575 -16.637 12.004 1.00 0.00 H new ATOM 152 N GLY A 11 96.922 -17.813 14.272 1.00 0.00 N ATOM 153 CA GLY A 11 96.282 -19.126 14.545 1.00 0.00 C ATOM 154 C GLY A 11 95.234 -18.942 15.639 1.00 0.00 C ATOM 155 O GLY A 11 94.579 -19.877 16.055 1.00 0.00 O ATOM 0 H GLY A 11 97.791 -17.644 14.779 1.00 0.00 H new ATOM 0 HA2 GLY A 11 95.818 -19.516 13.639 1.00 0.00 H new ATOM 0 HA3 GLY A 11 97.031 -19.854 14.858 1.00 0.00 H new ATOM 159 N CYS A 12 95.074 -17.732 16.108 1.00 0.00 N ATOM 160 CA CYS A 12 94.072 -17.465 17.176 1.00 0.00 C ATOM 161 C CYS A 12 93.601 -16.014 17.082 1.00 0.00 C ATOM 162 O CYS A 12 92.418 -15.747 17.039 1.00 0.00 O ATOM 163 CB CYS A 12 94.710 -17.698 18.542 1.00 0.00 C ATOM 164 SG CYS A 12 93.441 -17.597 19.828 1.00 0.00 S ATOM 0 H CYS A 12 95.598 -16.915 15.794 1.00 0.00 H new ATOM 0 HA CYS A 12 93.222 -18.135 17.050 1.00 0.00 H new ATOM 0 HB2 CYS A 12 95.192 -18.675 18.568 1.00 0.00 H new ATOM 0 HB3 CYS A 12 95.487 -16.955 18.724 1.00 0.00 H new ATOM 0 HG CYS A 12 93.985 -17.798 20.991 1.00 0.00 H new ATOM 170 N TYR A 13 94.520 -15.075 17.064 1.00 0.00 N ATOM 171 CA TYR A 13 94.140 -13.641 16.991 1.00 0.00 C ATOM 172 C TYR A 13 93.328 -13.313 18.240 1.00 0.00 C ATOM 173 O TYR A 13 93.813 -12.681 19.157 1.00 0.00 O ATOM 174 CB TYR A 13 93.314 -13.365 15.705 1.00 0.00 C ATOM 175 CG TYR A 13 94.170 -12.676 14.654 1.00 0.00 C ATOM 176 CD1 TYR A 13 94.782 -11.450 14.945 1.00 0.00 C ATOM 177 CD2 TYR A 13 94.345 -13.261 13.391 1.00 0.00 C ATOM 178 CE1 TYR A 13 95.568 -10.811 13.977 1.00 0.00 C ATOM 179 CE2 TYR A 13 95.131 -12.622 12.425 1.00 0.00 C ATOM 180 CZ TYR A 13 95.742 -11.397 12.718 1.00 0.00 C ATOM 181 OH TYR A 13 96.516 -10.767 11.765 1.00 0.00 O ATOM 0 H TYR A 13 95.524 -15.251 17.097 1.00 0.00 H new ATOM 0 HA TYR A 13 95.029 -13.011 16.947 1.00 0.00 H new ATOM 0 HB2 TYR A 13 92.926 -14.303 15.308 1.00 0.00 H new ATOM 0 HB3 TYR A 13 92.453 -12.741 15.946 1.00 0.00 H new ATOM 0 HD1 TYR A 13 94.648 -10.997 15.916 1.00 0.00 H new ATOM 0 HD2 TYR A 13 93.873 -14.205 13.164 1.00 0.00 H new ATOM 0 HE1 TYR A 13 96.040 -9.866 14.202 1.00 0.00 H new ATOM 0 HE2 TYR A 13 95.266 -13.074 11.454 1.00 0.00 H new ATOM 0 HH TYR A 13 96.534 -11.308 10.948 1.00 0.00 H new ATOM 191 N ALA A 14 92.102 -13.752 18.282 1.00 0.00 N ATOM 192 CA ALA A 14 91.240 -13.489 19.466 1.00 0.00 C ATOM 193 C ALA A 14 89.791 -13.773 19.081 1.00 0.00 C ATOM 194 O ALA A 14 89.019 -14.294 19.861 1.00 0.00 O ATOM 195 CB ALA A 14 91.409 -12.025 19.901 1.00 0.00 C ATOM 0 H ALA A 14 91.656 -14.288 17.538 1.00 0.00 H new ATOM 0 HA ALA A 14 91.524 -14.132 20.299 1.00 0.00 H new ATOM 0 HB1 ALA A 14 90.779 -11.828 20.768 1.00 0.00 H new ATOM 0 HB2 ALA A 14 92.451 -11.841 20.160 1.00 0.00 H new ATOM 0 HB3 ALA A 14 91.117 -11.366 19.083 1.00 0.00 H new ATOM 201 N ASP A 15 89.418 -13.437 17.881 1.00 0.00 N ATOM 202 CA ASP A 15 88.021 -13.690 17.439 1.00 0.00 C ATOM 203 C ASP A 15 87.970 -13.769 15.911 1.00 0.00 C ATOM 204 O ASP A 15 86.911 -13.819 15.317 1.00 0.00 O ATOM 205 CB ASP A 15 87.140 -12.542 17.913 1.00 0.00 C ATOM 206 CG ASP A 15 85.668 -12.905 17.709 1.00 0.00 C ATOM 207 OD1 ASP A 15 85.303 -14.021 18.040 1.00 0.00 O ATOM 208 OD2 ASP A 15 84.931 -12.062 17.226 1.00 0.00 O ATOM 0 H ASP A 15 90.021 -12.997 17.186 1.00 0.00 H new ATOM 0 HA ASP A 15 87.667 -14.631 17.859 1.00 0.00 H new ATOM 0 HB2 ASP A 15 87.331 -12.335 18.966 1.00 0.00 H new ATOM 0 HB3 ASP A 15 87.381 -11.634 17.361 1.00 0.00 H new ATOM 213 N GLY A 16 89.106 -13.763 15.271 1.00 0.00 N ATOM 214 CA GLY A 16 89.131 -13.819 13.781 1.00 0.00 C ATOM 215 C GLY A 16 88.912 -12.411 13.249 1.00 0.00 C ATOM 216 O GLY A 16 88.575 -12.209 12.100 1.00 0.00 O ATOM 0 H GLY A 16 90.022 -13.722 15.717 1.00 0.00 H new ATOM 0 HA2 GLY A 16 90.085 -14.213 13.431 1.00 0.00 H new ATOM 0 HA3 GLY A 16 88.355 -14.490 13.413 1.00 0.00 H new ATOM 220 N THR A 17 89.086 -11.437 14.094 1.00 0.00 N ATOM 221 CA THR A 17 88.875 -10.030 13.685 1.00 0.00 C ATOM 222 C THR A 17 90.167 -9.428 13.148 1.00 0.00 C ATOM 223 O THR A 17 91.178 -9.382 13.821 1.00 0.00 O ATOM 224 CB THR A 17 88.434 -9.230 14.905 1.00 0.00 C ATOM 225 OG1 THR A 17 89.311 -9.501 15.989 1.00 0.00 O ATOM 226 CG2 THR A 17 87.011 -9.622 15.289 1.00 0.00 C ATOM 0 H THR A 17 89.370 -11.562 15.066 1.00 0.00 H new ATOM 0 HA THR A 17 88.117 -9.997 12.902 1.00 0.00 H new ATOM 0 HB THR A 17 88.463 -8.166 14.670 1.00 0.00 H new ATOM 0 HG1 THR A 17 90.213 -9.670 15.646 1.00 0.00 H new ATOM 0 HG21 THR A 17 86.698 -9.048 16.162 1.00 0.00 H new ATOM 0 HG22 THR A 17 86.339 -9.412 14.457 1.00 0.00 H new ATOM 0 HG23 THR A 17 86.977 -10.686 15.523 1.00 0.00 H new ATOM 234 N TRP A 18 90.112 -8.928 11.951 1.00 0.00 N ATOM 235 CA TRP A 18 91.296 -8.265 11.324 1.00 0.00 C ATOM 236 C TRP A 18 90.894 -6.817 11.040 1.00 0.00 C ATOM 237 O TRP A 18 89.926 -6.559 10.354 1.00 0.00 O ATOM 238 CB TRP A 18 91.695 -8.982 10.011 1.00 0.00 C ATOM 239 CG TRP A 18 90.633 -9.949 9.585 1.00 0.00 C ATOM 240 CD1 TRP A 18 89.602 -9.659 8.758 1.00 0.00 C ATOM 241 CD2 TRP A 18 90.491 -11.356 9.939 1.00 0.00 C ATOM 242 NE1 TRP A 18 88.837 -10.799 8.583 1.00 0.00 N ATOM 243 CE2 TRP A 18 89.343 -11.870 9.293 1.00 0.00 C ATOM 244 CE3 TRP A 18 91.239 -12.226 10.753 1.00 0.00 C ATOM 245 CZ2 TRP A 18 88.950 -13.201 9.446 1.00 0.00 C ATOM 246 CZ3 TRP A 18 90.847 -13.566 10.909 1.00 0.00 C ATOM 247 CH2 TRP A 18 89.705 -14.052 10.257 1.00 0.00 C ATOM 0 H TRP A 18 89.279 -8.949 11.362 1.00 0.00 H new ATOM 0 HA TRP A 18 92.159 -8.308 11.989 1.00 0.00 H new ATOM 0 HB2 TRP A 18 91.858 -8.245 9.225 1.00 0.00 H new ATOM 0 HB3 TRP A 18 92.638 -9.510 10.153 1.00 0.00 H new ATOM 0 HD1 TRP A 18 89.408 -8.696 8.308 1.00 0.00 H new ATOM 0 HE1 TRP A 18 88.001 -10.843 8.000 1.00 0.00 H new ATOM 0 HE3 TRP A 18 92.120 -11.862 11.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 88.069 -13.570 8.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 91.429 -14.226 11.535 1.00 0.00 H new ATOM 0 HH2 TRP A 18 89.409 -15.083 10.382 1.00 0.00 H new ATOM 258 N GLU A 19 91.611 -5.870 11.576 1.00 0.00 N ATOM 259 CA GLU A 19 91.234 -4.445 11.343 1.00 0.00 C ATOM 260 C GLU A 19 91.717 -3.996 9.965 1.00 0.00 C ATOM 261 O GLU A 19 92.872 -4.141 9.618 1.00 0.00 O ATOM 262 CB GLU A 19 91.824 -3.521 12.444 1.00 0.00 C ATOM 263 CG GLU A 19 92.834 -4.280 13.295 1.00 0.00 C ATOM 264 CD GLU A 19 93.955 -4.823 12.405 1.00 0.00 C ATOM 265 OE1 GLU A 19 94.473 -4.059 11.607 1.00 0.00 O ATOM 266 OE2 GLU A 19 94.277 -5.992 12.538 1.00 0.00 O ATOM 0 H GLU A 19 92.434 -6.016 12.160 1.00 0.00 H new ATOM 0 HA GLU A 19 90.147 -4.369 11.386 1.00 0.00 H new ATOM 0 HB2 GLU A 19 92.304 -2.658 11.983 1.00 0.00 H new ATOM 0 HB3 GLU A 19 91.021 -3.140 13.075 1.00 0.00 H new ATOM 0 HG2 GLU A 19 93.249 -3.621 14.058 1.00 0.00 H new ATOM 0 HG3 GLU A 19 92.341 -5.100 13.816 1.00 0.00 H new ATOM 273 N LEU A 20 90.836 -3.428 9.189 1.00 0.00 N ATOM 274 CA LEU A 20 91.232 -2.938 7.843 1.00 0.00 C ATOM 275 C LEU A 20 91.817 -1.540 8.022 1.00 0.00 C ATOM 276 O LEU A 20 91.269 -0.721 8.724 1.00 0.00 O ATOM 277 CB LEU A 20 89.985 -2.895 6.925 1.00 0.00 C ATOM 278 CG LEU A 20 90.226 -3.688 5.624 1.00 0.00 C ATOM 279 CD1 LEU A 20 91.491 -3.177 4.902 1.00 0.00 C ATOM 280 CD2 LEU A 20 90.361 -5.195 5.940 1.00 0.00 C ATOM 0 H LEU A 20 89.856 -3.283 9.432 1.00 0.00 H new ATOM 0 HA LEU A 20 91.969 -3.596 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 20 89.126 -3.309 7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 20 89.742 -1.860 6.684 1.00 0.00 H new ATOM 0 HG LEU A 20 89.371 -3.540 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 20 91.644 -3.749 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.368 -2.123 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.356 -3.298 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 20 90.531 -5.747 5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 20 91.202 -5.351 6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 20 89.445 -5.551 6.412 1.00 0.00 H new ATOM 292 N SER A 21 92.927 -1.266 7.410 1.00 0.00 N ATOM 293 CA SER A 21 93.549 0.075 7.575 1.00 0.00 C ATOM 294 C SER A 21 92.834 1.100 6.703 1.00 0.00 C ATOM 295 O SER A 21 92.394 0.806 5.609 1.00 0.00 O ATOM 296 CB SER A 21 95.022 0.008 7.166 1.00 0.00 C ATOM 297 OG SER A 21 95.752 0.997 7.881 1.00 0.00 O ATOM 0 H SER A 21 93.433 -1.910 6.802 1.00 0.00 H new ATOM 0 HA SER A 21 93.466 0.375 8.620 1.00 0.00 H new ATOM 0 HB2 SER A 21 95.426 -0.982 7.377 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.121 0.171 6.093 1.00 0.00 H new ATOM 0 HG SER A 21 96.697 0.956 7.623 1.00 0.00 H new ATOM 303 N VAL A 22 92.744 2.314 7.179 1.00 0.00 N ATOM 304 CA VAL A 22 92.091 3.395 6.383 1.00 0.00 C ATOM 305 C VAL A 22 92.949 4.655 6.453 1.00 0.00 C ATOM 306 O VAL A 22 93.008 5.334 7.458 1.00 0.00 O ATOM 307 CB VAL A 22 90.672 3.684 6.905 1.00 0.00 C ATOM 308 CG1 VAL A 22 90.167 5.018 6.340 1.00 0.00 C ATOM 309 CG2 VAL A 22 89.738 2.571 6.435 1.00 0.00 C ATOM 0 H VAL A 22 93.097 2.605 8.091 1.00 0.00 H new ATOM 0 HA VAL A 22 92.003 3.068 5.347 1.00 0.00 H new ATOM 0 HB VAL A 22 90.692 3.734 7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 22 89.162 5.215 6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 22 90.834 5.821 6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 22 90.145 4.967 5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 22 88.729 2.765 6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 22 89.731 2.538 5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.087 1.615 6.825 1.00 0.00 H new ATOM 319 N HIS A 23 93.602 4.968 5.375 1.00 0.00 N ATOM 320 CA HIS A 23 94.453 6.182 5.334 1.00 0.00 C ATOM 321 C HIS A 23 93.549 7.394 5.141 1.00 0.00 C ATOM 322 O HIS A 23 93.074 7.655 4.055 1.00 0.00 O ATOM 323 CB HIS A 23 95.410 6.054 4.143 1.00 0.00 C ATOM 324 CG HIS A 23 96.623 5.251 4.536 1.00 0.00 C ATOM 325 ND1 HIS A 23 97.776 5.231 3.766 1.00 0.00 N ATOM 326 CD2 HIS A 23 96.876 4.436 5.611 1.00 0.00 C ATOM 327 CE1 HIS A 23 98.662 4.429 4.383 1.00 0.00 C ATOM 328 NE2 HIS A 23 98.164 3.918 5.513 1.00 0.00 N ATOM 0 H HIS A 23 93.582 4.428 4.510 1.00 0.00 H new ATOM 0 HA HIS A 23 95.024 6.294 6.256 1.00 0.00 H new ATOM 0 HB2 HIS A 23 94.901 5.573 3.308 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.714 7.044 3.803 1.00 0.00 H new ATOM 0 HD2 HIS A 23 96.181 4.228 6.411 1.00 0.00 H new ATOM 0 HE1 HIS A 23 99.655 4.223 4.011 1.00 0.00 H new ATOM 0 HE2 HIS A 23 98.628 3.284 6.164 1.00 0.00 H new ATOM 336 N VAL A 24 93.308 8.148 6.173 1.00 0.00 N ATOM 337 CA VAL A 24 92.440 9.337 6.004 1.00 0.00 C ATOM 338 C VAL A 24 93.231 10.363 5.197 1.00 0.00 C ATOM 339 O VAL A 24 94.087 11.048 5.706 1.00 0.00 O ATOM 340 CB VAL A 24 92.030 9.882 7.383 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.671 10.580 7.287 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.904 8.716 8.366 1.00 0.00 C ATOM 0 H VAL A 24 93.670 7.994 7.114 1.00 0.00 H new ATOM 0 HA VAL A 24 91.520 9.091 5.475 1.00 0.00 H new ATOM 0 HB VAL A 24 92.785 10.591 7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 24 90.388 10.963 8.268 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.736 11.407 6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.920 9.868 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 24 91.614 9.096 9.346 1.00 0.00 H new ATOM 0 HG22 VAL A 24 91.147 8.019 8.008 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.862 8.202 8.446 1.00 0.00 H new ATOM 352 N THR A 25 92.972 10.422 3.921 1.00 0.00 N ATOM 353 CA THR A 25 93.720 11.346 3.027 1.00 0.00 C ATOM 354 C THR A 25 93.382 12.810 3.336 1.00 0.00 C ATOM 355 O THR A 25 94.263 13.636 3.473 1.00 0.00 O ATOM 356 CB THR A 25 93.355 11.016 1.574 1.00 0.00 C ATOM 357 OG1 THR A 25 92.038 11.476 1.303 1.00 0.00 O ATOM 358 CG2 THR A 25 93.425 9.496 1.355 1.00 0.00 C ATOM 0 H THR A 25 92.262 9.859 3.453 1.00 0.00 H new ATOM 0 HA THR A 25 94.790 11.215 3.188 1.00 0.00 H new ATOM 0 HB THR A 25 94.059 11.508 0.902 1.00 0.00 H new ATOM 0 HG1 THR A 25 91.389 10.884 1.737 1.00 0.00 H new ATOM 0 HG21 THR A 25 93.165 9.265 0.322 1.00 0.00 H new ATOM 0 HG22 THR A 25 94.436 9.145 1.562 1.00 0.00 H new ATOM 0 HG23 THR A 25 92.724 8.999 2.025 1.00 0.00 H new ATOM 366 N ASP A 26 92.126 13.150 3.441 1.00 0.00 N ATOM 367 CA ASP A 26 91.769 14.571 3.734 1.00 0.00 C ATOM 368 C ASP A 26 92.166 14.917 5.172 1.00 0.00 C ATOM 369 O ASP A 26 91.783 15.940 5.706 1.00 0.00 O ATOM 370 CB ASP A 26 90.262 14.772 3.550 1.00 0.00 C ATOM 371 CG ASP A 26 89.937 14.838 2.056 1.00 0.00 C ATOM 372 OD1 ASP A 26 89.359 15.828 1.639 1.00 0.00 O ATOM 373 OD2 ASP A 26 90.277 13.900 1.355 1.00 0.00 O ATOM 0 H ASP A 26 91.336 12.513 3.338 1.00 0.00 H new ATOM 0 HA ASP A 26 92.305 15.226 3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 26 89.715 13.953 4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 26 89.943 15.690 4.044 1.00 0.00 H new ATOM 378 N LEU A 27 92.935 14.070 5.799 1.00 0.00 N ATOM 379 CA LEU A 27 93.376 14.327 7.207 1.00 0.00 C ATOM 380 C LEU A 27 94.834 13.872 7.357 1.00 0.00 C ATOM 381 O LEU A 27 95.551 14.346 8.212 1.00 0.00 O ATOM 382 CB LEU A 27 92.470 13.527 8.165 1.00 0.00 C ATOM 383 CG LEU A 27 91.425 14.445 8.827 1.00 0.00 C ATOM 384 CD1 LEU A 27 90.237 13.609 9.311 1.00 0.00 C ATOM 385 CD2 LEU A 27 92.057 15.164 10.024 1.00 0.00 C ATOM 0 H LEU A 27 93.282 13.200 5.395 1.00 0.00 H new ATOM 0 HA LEU A 27 93.303 15.388 7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 27 91.966 12.732 7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 27 93.078 13.048 8.933 1.00 0.00 H new ATOM 0 HG LEU A 27 91.081 15.179 8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 27 89.500 14.261 9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 27 89.783 13.097 8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 27 90.582 12.872 10.037 1.00 0.00 H new ATOM 0 HD21 LEU A 27 91.316 15.813 10.491 1.00 0.00 H new ATOM 0 HD22 LEU A 27 92.403 14.428 10.749 1.00 0.00 H new ATOM 0 HD23 LEU A 27 92.902 15.763 9.684 1.00 0.00 H new ATOM 397 N ASN A 28 95.256 12.948 6.530 1.00 0.00 N ATOM 398 CA ASN A 28 96.656 12.426 6.588 1.00 0.00 C ATOM 399 C ASN A 28 96.807 11.448 7.750 1.00 0.00 C ATOM 400 O ASN A 28 97.907 11.091 8.121 1.00 0.00 O ATOM 401 CB ASN A 28 97.661 13.575 6.758 1.00 0.00 C ATOM 402 CG ASN A 28 99.041 13.106 6.309 1.00 0.00 C ATOM 403 OD1 ASN A 28 99.905 13.904 6.000 1.00 0.00 O ATOM 404 ND2 ASN A 28 99.277 11.830 6.262 1.00 0.00 N ATOM 0 H ASN A 28 94.678 12.526 5.803 1.00 0.00 H new ATOM 0 HA ASN A 28 96.862 11.912 5.649 1.00 0.00 H new ATOM 0 HB2 ASN A 28 97.348 14.438 6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 28 97.694 13.894 7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 28 100.192 11.491 5.964 1.00 0.00 H new ATOM 0 HD22 ASN A 28 98.547 11.166 6.523 1.00 0.00 H new ATOM 411 N ARG A 29 95.723 11.003 8.332 1.00 0.00 N ATOM 412 CA ARG A 29 95.827 10.050 9.462 1.00 0.00 C ATOM 413 C ARG A 29 95.648 8.635 8.954 1.00 0.00 C ATOM 414 O ARG A 29 95.455 8.389 7.780 1.00 0.00 O ATOM 415 CB ARG A 29 94.728 10.322 10.472 1.00 0.00 C ATOM 416 CG ARG A 29 94.879 11.733 11.021 1.00 0.00 C ATOM 417 CD ARG A 29 93.685 12.055 11.920 1.00 0.00 C ATOM 418 NE ARG A 29 93.878 11.418 13.259 1.00 0.00 N ATOM 419 CZ ARG A 29 93.413 10.217 13.504 1.00 0.00 C ATOM 420 NH1 ARG A 29 93.585 9.685 14.683 1.00 0.00 N ATOM 421 NH2 ARG A 29 92.783 9.547 12.577 1.00 0.00 N ATOM 0 H ARG A 29 94.772 11.262 8.069 1.00 0.00 H new ATOM 0 HA ARG A 29 96.806 10.170 9.926 1.00 0.00 H new ATOM 0 HB2 ARG A 29 93.751 10.206 10.002 1.00 0.00 H new ATOM 0 HB3 ARG A 29 94.779 9.597 11.284 1.00 0.00 H new ATOM 0 HG2 ARG A 29 95.808 11.819 11.585 1.00 0.00 H new ATOM 0 HG3 ARG A 29 94.936 12.450 10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 29 93.582 13.134 12.031 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.765 11.692 11.463 1.00 0.00 H new ATOM 0 HE ARG A 29 94.377 11.924 13.990 1.00 0.00 H new ATOM 0 HH11 ARG A 29 94.079 10.203 15.409 1.00 0.00 H new ATOM 0 HH12 ARG A 29 93.225 8.751 14.878 1.00 0.00 H new ATOM 0 HH21 ARG A 29 92.649 9.957 11.653 1.00 0.00 H new ATOM 0 HH22 ARG A 29 92.425 8.613 12.777 1.00 0.00 H new ATOM 435 N ASP A 30 95.681 7.707 9.855 1.00 0.00 N ATOM 436 CA ASP A 30 95.482 6.281 9.496 1.00 0.00 C ATOM 437 C ASP A 30 94.579 5.658 10.540 1.00 0.00 C ATOM 438 O ASP A 30 94.934 5.545 11.697 1.00 0.00 O ATOM 439 CB ASP A 30 96.815 5.541 9.473 1.00 0.00 C ATOM 440 CG ASP A 30 97.625 5.976 8.250 1.00 0.00 C ATOM 441 OD1 ASP A 30 97.058 6.629 7.390 1.00 0.00 O ATOM 442 OD2 ASP A 30 98.800 5.650 8.195 1.00 0.00 O ATOM 0 H ASP A 30 95.841 7.877 10.848 1.00 0.00 H new ATOM 0 HA ASP A 30 95.036 6.211 8.504 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.374 5.751 10.385 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.644 4.465 9.444 1.00 0.00 H new ATOM 447 N VAL A 31 93.406 5.263 10.137 1.00 0.00 N ATOM 448 CA VAL A 31 92.442 4.651 11.089 1.00 0.00 C ATOM 449 C VAL A 31 92.289 3.175 10.757 1.00 0.00 C ATOM 450 O VAL A 31 92.563 2.745 9.654 1.00 0.00 O ATOM 451 CB VAL A 31 91.090 5.356 10.972 1.00 0.00 C ATOM 452 CG1 VAL A 31 90.168 4.819 12.058 1.00 0.00 C ATOM 453 CG2 VAL A 31 91.278 6.872 11.158 1.00 0.00 C ATOM 0 H VAL A 31 93.070 5.339 9.177 1.00 0.00 H new ATOM 0 HA VAL A 31 92.809 4.758 12.110 1.00 0.00 H new ATOM 0 HB VAL A 31 90.657 5.171 9.989 1.00 0.00 H new ATOM 0 HG11 VAL A 31 89.198 5.312 11.989 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.039 3.745 11.927 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.606 5.015 13.037 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.313 7.371 11.074 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.703 7.068 12.142 1.00 0.00 H new ATOM 0 HG23 VAL A 31 91.951 7.252 10.390 1.00 0.00 H new ATOM 463 N THR A 32 91.862 2.394 11.711 1.00 0.00 N ATOM 464 CA THR A 32 91.691 0.927 11.482 1.00 0.00 C ATOM 465 C THR A 32 90.315 0.505 11.997 1.00 0.00 C ATOM 466 O THR A 32 89.890 0.903 13.064 1.00 0.00 O ATOM 467 CB THR A 32 92.816 0.169 12.232 1.00 0.00 C ATOM 468 OG1 THR A 32 93.598 1.110 12.953 1.00 0.00 O ATOM 469 CG2 THR A 32 93.727 -0.585 11.247 1.00 0.00 C ATOM 0 H THR A 32 91.621 2.711 12.650 1.00 0.00 H new ATOM 0 HA THR A 32 91.756 0.691 10.420 1.00 0.00 H new ATOM 0 HB THR A 32 92.360 -0.555 12.907 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.313 0.642 13.433 1.00 0.00 H new ATOM 0 HG21 THR A 32 94.507 -1.108 11.800 1.00 0.00 H new ATOM 0 HG22 THR A 32 93.135 -1.307 10.684 1.00 0.00 H new ATOM 0 HG23 THR A 32 94.184 0.125 10.558 1.00 0.00 H new ATOM 477 N LEU A 33 89.612 -0.287 11.230 1.00 0.00 N ATOM 478 CA LEU A 33 88.254 -0.734 11.636 1.00 0.00 C ATOM 479 C LEU A 33 88.294 -2.207 11.993 1.00 0.00 C ATOM 480 O LEU A 33 88.414 -3.051 11.137 1.00 0.00 O ATOM 481 CB LEU A 33 87.299 -0.560 10.450 1.00 0.00 C ATOM 482 CG LEU A 33 86.921 0.913 10.259 1.00 0.00 C ATOM 483 CD1 LEU A 33 86.136 1.433 11.477 1.00 0.00 C ATOM 484 CD2 LEU A 33 88.186 1.753 10.052 1.00 0.00 C ATOM 0 H LEU A 33 89.928 -0.645 10.329 1.00 0.00 H new ATOM 0 HA LEU A 33 87.920 -0.147 12.491 1.00 0.00 H new ATOM 0 HB2 LEU A 33 87.768 -0.939 9.542 1.00 0.00 H new ATOM 0 HB3 LEU A 33 86.398 -1.152 10.614 1.00 0.00 H new ATOM 0 HG LEU A 33 86.286 0.998 9.377 1.00 0.00 H new ATOM 0 HD11 LEU A 33 85.877 2.480 11.323 1.00 0.00 H new ATOM 0 HD12 LEU A 33 85.225 0.848 11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 33 86.750 1.340 12.373 1.00 0.00 H new ATOM 0 HD21 LEU A 33 87.910 2.799 9.917 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.833 1.658 10.924 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.716 1.400 9.167 1.00 0.00 H new ATOM 496 N ARG A 34 88.139 -2.516 13.238 1.00 0.00 N ATOM 497 CA ARG A 34 88.129 -3.941 13.652 1.00 0.00 C ATOM 498 C ARG A 34 86.963 -4.612 12.939 1.00 0.00 C ATOM 499 O ARG A 34 85.818 -4.451 13.311 1.00 0.00 O ATOM 500 CB ARG A 34 87.935 -4.038 15.168 1.00 0.00 C ATOM 501 CG ARG A 34 88.050 -5.504 15.613 1.00 0.00 C ATOM 502 CD ARG A 34 89.515 -5.957 15.614 1.00 0.00 C ATOM 503 NE ARG A 34 89.662 -7.148 16.500 1.00 0.00 N ATOM 504 CZ ARG A 34 90.835 -7.470 16.975 1.00 0.00 C ATOM 505 NH1 ARG A 34 90.964 -8.521 17.740 1.00 0.00 N ATOM 506 NH2 ARG A 34 91.879 -6.741 16.689 1.00 0.00 N ATOM 0 H ARG A 34 88.018 -1.843 13.995 1.00 0.00 H new ATOM 0 HA ARG A 34 89.070 -4.426 13.394 1.00 0.00 H new ATOM 0 HB2 ARG A 34 88.684 -3.433 15.679 1.00 0.00 H new ATOM 0 HB3 ARG A 34 86.959 -3.639 15.446 1.00 0.00 H new ATOM 0 HG2 ARG A 34 87.628 -5.620 16.611 1.00 0.00 H new ATOM 0 HG3 ARG A 34 87.468 -6.139 14.945 1.00 0.00 H new ATOM 0 HD2 ARG A 34 89.833 -6.202 14.600 1.00 0.00 H new ATOM 0 HD3 ARG A 34 90.157 -5.148 15.963 1.00 0.00 H new ATOM 0 HE ARG A 34 88.845 -7.712 16.735 1.00 0.00 H new ATOM 0 HH11 ARG A 34 90.148 -9.090 17.966 1.00 0.00 H new ATOM 0 HH12 ARG A 34 91.880 -8.772 18.111 1.00 0.00 H new ATOM 0 HH21 ARG A 34 91.779 -5.919 16.094 1.00 0.00 H new ATOM 0 HH22 ARG A 34 92.795 -6.994 17.061 1.00 0.00 H new ATOM 520 N VAL A 35 87.249 -5.338 11.890 1.00 0.00 N ATOM 521 CA VAL A 35 86.166 -6.002 11.106 1.00 0.00 C ATOM 522 C VAL A 35 86.523 -7.448 10.814 1.00 0.00 C ATOM 523 O VAL A 35 87.480 -7.994 11.325 1.00 0.00 O ATOM 524 CB VAL A 35 86.005 -5.284 9.768 1.00 0.00 C ATOM 525 CG1 VAL A 35 85.485 -3.867 10.005 1.00 0.00 C ATOM 526 CG2 VAL A 35 87.356 -5.225 9.044 1.00 0.00 C ATOM 0 H VAL A 35 88.193 -5.500 11.540 1.00 0.00 H new ATOM 0 HA VAL A 35 85.247 -5.961 11.690 1.00 0.00 H new ATOM 0 HB VAL A 35 85.292 -5.831 9.151 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.371 -3.357 9.049 1.00 0.00 H new ATOM 0 HG12 VAL A 35 84.520 -3.913 10.509 1.00 0.00 H new ATOM 0 HG13 VAL A 35 86.193 -3.319 10.627 1.00 0.00 H new ATOM 0 HG21 VAL A 35 87.235 -4.712 8.090 1.00 0.00 H new ATOM 0 HG22 VAL A 35 88.075 -4.684 9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 35 87.719 -6.238 8.868 1.00 0.00 H new ATOM 536 N THR A 36 85.750 -8.058 9.961 1.00 0.00 N ATOM 537 CA THR A 36 85.997 -9.463 9.566 1.00 0.00 C ATOM 538 C THR A 36 85.667 -9.568 8.079 1.00 0.00 C ATOM 539 O THR A 36 85.197 -8.623 7.479 1.00 0.00 O ATOM 540 CB THR A 36 85.092 -10.396 10.375 1.00 0.00 C ATOM 541 OG1 THR A 36 83.783 -9.854 10.431 1.00 0.00 O ATOM 542 CG2 THR A 36 85.632 -10.546 11.794 1.00 0.00 C ATOM 0 H THR A 36 84.940 -7.628 9.514 1.00 0.00 H new ATOM 0 HA THR A 36 87.031 -9.751 9.756 1.00 0.00 H new ATOM 0 HB THR A 36 85.068 -11.373 9.892 1.00 0.00 H new ATOM 0 HG1 THR A 36 83.203 -10.452 10.947 1.00 0.00 H new ATOM 0 HG21 THR A 36 84.982 -11.211 12.362 1.00 0.00 H new ATOM 0 HG22 THR A 36 86.638 -10.965 11.758 1.00 0.00 H new ATOM 0 HG23 THR A 36 85.663 -9.569 12.277 1.00 0.00 H new ATOM 550 N GLY A 37 85.908 -10.686 7.469 1.00 0.00 N ATOM 551 CA GLY A 37 85.601 -10.807 6.020 1.00 0.00 C ATOM 552 C GLY A 37 84.114 -11.071 5.837 1.00 0.00 C ATOM 553 O GLY A 37 83.709 -11.921 5.069 1.00 0.00 O ATOM 0 H GLY A 37 86.302 -11.519 7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 37 85.886 -9.893 5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 37 86.182 -11.618 5.581 1.00 0.00 H new ATOM 557 N GLU A 38 83.295 -10.336 6.536 1.00 0.00 N ATOM 558 CA GLU A 38 81.825 -10.518 6.414 1.00 0.00 C ATOM 559 C GLU A 38 81.140 -9.163 6.597 1.00 0.00 C ATOM 560 O GLU A 38 79.929 -9.071 6.630 1.00 0.00 O ATOM 561 CB GLU A 38 81.339 -11.489 7.494 1.00 0.00 C ATOM 562 CG GLU A 38 81.335 -10.800 8.878 1.00 0.00 C ATOM 563 CD GLU A 38 79.956 -10.192 9.163 1.00 0.00 C ATOM 564 OE1 GLU A 38 79.911 -9.055 9.604 1.00 0.00 O ATOM 565 OE2 GLU A 38 78.970 -10.874 8.934 1.00 0.00 O ATOM 0 H GLU A 38 83.586 -9.611 7.192 1.00 0.00 H new ATOM 0 HA GLU A 38 81.583 -10.924 5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.335 -11.839 7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.985 -12.367 7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.589 -11.523 9.653 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.097 -10.021 8.907 1.00 0.00 H new ATOM 572 N VAL A 39 81.904 -8.104 6.721 1.00 0.00 N ATOM 573 CA VAL A 39 81.282 -6.762 6.907 1.00 0.00 C ATOM 574 C VAL A 39 81.031 -6.101 5.553 1.00 0.00 C ATOM 575 O VAL A 39 81.855 -6.137 4.667 1.00 0.00 O ATOM 576 CB VAL A 39 82.201 -5.881 7.763 1.00 0.00 C ATOM 577 CG1 VAL A 39 82.750 -6.719 8.918 1.00 0.00 C ATOM 578 CG2 VAL A 39 83.363 -5.314 6.924 1.00 0.00 C ATOM 0 H VAL A 39 82.924 -8.114 6.701 1.00 0.00 H new ATOM 0 HA VAL A 39 80.326 -6.882 7.416 1.00 0.00 H new ATOM 0 HB VAL A 39 81.627 -5.039 8.150 1.00 0.00 H new ATOM 0 HG11 VAL A 39 83.405 -6.104 9.535 1.00 0.00 H new ATOM 0 HG12 VAL A 39 81.923 -7.089 9.524 1.00 0.00 H new ATOM 0 HG13 VAL A 39 83.313 -7.563 8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 39 83.999 -4.693 7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 39 83.950 -6.136 6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 39 82.963 -4.712 6.109 1.00 0.00 H new ATOM 588 N HIS A 40 79.907 -5.475 5.395 1.00 0.00 N ATOM 589 CA HIS A 40 79.616 -4.791 4.103 1.00 0.00 C ATOM 590 C HIS A 40 80.302 -3.418 4.111 1.00 0.00 C ATOM 591 O HIS A 40 80.421 -2.784 5.140 1.00 0.00 O ATOM 592 CB HIS A 40 78.096 -4.631 3.935 1.00 0.00 C ATOM 593 CG HIS A 40 77.392 -5.782 4.600 1.00 0.00 C ATOM 594 ND1 HIS A 40 77.173 -6.988 3.953 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.851 -5.926 5.853 1.00 0.00 C ATOM 596 CE1 HIS A 40 76.526 -7.797 4.812 1.00 0.00 C ATOM 597 NE2 HIS A 40 76.305 -7.199 5.985 1.00 0.00 N ATOM 0 H HIS A 40 79.174 -5.404 6.101 1.00 0.00 H new ATOM 0 HA HIS A 40 79.995 -5.381 3.269 1.00 0.00 H new ATOM 0 HB2 HIS A 40 77.768 -3.689 4.374 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.838 -4.596 2.876 1.00 0.00 H new ATOM 0 HD2 HIS A 40 76.849 -5.166 6.621 1.00 0.00 H new ATOM 0 HE1 HIS A 40 76.222 -8.807 4.581 1.00 0.00 H new ATOM 0 HE2 HIS A 40 75.837 -7.591 6.802 1.00 0.00 H new ATOM 605 N ILE A 41 80.763 -2.955 2.979 1.00 0.00 N ATOM 606 CA ILE A 41 81.446 -1.627 2.941 1.00 0.00 C ATOM 607 C ILE A 41 80.618 -0.596 3.699 1.00 0.00 C ATOM 608 O ILE A 41 81.088 0.038 4.622 1.00 0.00 O ATOM 609 CB ILE A 41 81.591 -1.159 1.500 1.00 0.00 C ATOM 610 CG1 ILE A 41 82.372 -2.199 0.700 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.340 0.172 1.471 1.00 0.00 C ATOM 612 CD1 ILE A 41 82.283 -1.872 -0.793 1.00 0.00 C ATOM 0 H ILE A 41 80.697 -3.436 2.082 1.00 0.00 H new ATOM 0 HA ILE A 41 82.429 -1.730 3.401 1.00 0.00 H new ATOM 0 HB ILE A 41 80.602 -1.031 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 41 83.414 -2.210 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 41 81.970 -3.195 0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 41 82.445 0.508 0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 41 81.782 0.916 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.328 0.043 1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.841 -2.615 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 41 81.239 -1.884 -1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 41 82.705 -0.884 -0.975 1.00 0.00 H new ATOM 624 N GLY A 42 79.387 -0.422 3.314 1.00 0.00 N ATOM 625 CA GLY A 42 78.531 0.569 4.014 1.00 0.00 C ATOM 626 C GLY A 42 78.549 0.252 5.503 1.00 0.00 C ATOM 627 O GLY A 42 78.170 1.054 6.335 1.00 0.00 O ATOM 0 H GLY A 42 78.938 -0.922 2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.898 1.580 3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.512 0.528 3.630 1.00 0.00 H new ATOM 631 N GLY A 43 79.008 -0.919 5.837 1.00 0.00 N ATOM 632 CA GLY A 43 79.081 -1.316 7.268 1.00 0.00 C ATOM 633 C GLY A 43 80.300 -0.644 7.896 1.00 0.00 C ATOM 634 O GLY A 43 80.339 -0.361 9.077 1.00 0.00 O ATOM 0 H GLY A 43 79.338 -1.623 5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.172 -1.017 7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 43 79.158 -2.400 7.357 1.00 0.00 H new ATOM 638 N VAL A 44 81.286 -0.371 7.093 1.00 0.00 N ATOM 639 CA VAL A 44 82.515 0.300 7.593 1.00 0.00 C ATOM 640 C VAL A 44 82.218 1.797 7.696 1.00 0.00 C ATOM 641 O VAL A 44 82.622 2.456 8.633 1.00 0.00 O ATOM 642 CB VAL A 44 83.674 0.023 6.603 1.00 0.00 C ATOM 643 CG1 VAL A 44 84.680 1.184 6.590 1.00 0.00 C ATOM 644 CG2 VAL A 44 84.401 -1.264 7.009 1.00 0.00 C ATOM 0 H VAL A 44 81.293 -0.587 6.096 1.00 0.00 H new ATOM 0 HA VAL A 44 82.809 -0.076 8.573 1.00 0.00 H new ATOM 0 HB VAL A 44 83.249 -0.083 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 44 85.482 0.962 5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.174 2.100 6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 44 85.098 1.314 7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 44 85.216 -1.457 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 44 84.804 -1.152 8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 44 83.701 -2.099 6.989 1.00 0.00 H new ATOM 654 N MET A 45 81.497 2.338 6.748 1.00 0.00 N ATOM 655 CA MET A 45 81.165 3.787 6.816 1.00 0.00 C ATOM 656 C MET A 45 80.575 4.077 8.191 1.00 0.00 C ATOM 657 O MET A 45 80.856 5.085 8.805 1.00 0.00 O ATOM 658 CB MET A 45 80.121 4.141 5.746 1.00 0.00 C ATOM 659 CG MET A 45 80.744 4.133 4.340 1.00 0.00 C ATOM 660 SD MET A 45 79.822 5.271 3.270 1.00 0.00 S ATOM 661 CE MET A 45 78.406 4.192 2.933 1.00 0.00 C ATOM 0 H MET A 45 81.128 1.842 5.937 1.00 0.00 H new ATOM 0 HA MET A 45 82.065 4.377 6.645 1.00 0.00 H new ATOM 0 HB2 MET A 45 79.298 3.427 5.786 1.00 0.00 H new ATOM 0 HB3 MET A 45 79.701 5.125 5.955 1.00 0.00 H new ATOM 0 HG2 MET A 45 81.791 4.432 4.392 1.00 0.00 H new ATOM 0 HG3 MET A 45 80.720 3.125 3.925 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.585 4.784 2.529 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.694 3.429 2.209 1.00 0.00 H new ATOM 0 HE3 MET A 45 78.086 3.712 3.858 1.00 0.00 H new ATOM 671 N LEU A 46 79.759 3.187 8.677 1.00 0.00 N ATOM 672 CA LEU A 46 79.141 3.394 10.016 1.00 0.00 C ATOM 673 C LEU A 46 80.229 3.431 11.093 1.00 0.00 C ATOM 674 O LEU A 46 80.354 4.387 11.831 1.00 0.00 O ATOM 675 CB LEU A 46 78.171 2.237 10.316 1.00 0.00 C ATOM 676 CG LEU A 46 77.150 2.672 11.395 1.00 0.00 C ATOM 677 CD1 LEU A 46 75.949 3.358 10.738 1.00 0.00 C ATOM 678 CD2 LEU A 46 76.656 1.449 12.175 1.00 0.00 C ATOM 0 H LEU A 46 79.492 2.323 8.205 1.00 0.00 H new ATOM 0 HA LEU A 46 78.600 4.340 10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 46 77.648 1.944 9.406 1.00 0.00 H new ATOM 0 HB3 LEU A 46 78.727 1.365 10.660 1.00 0.00 H new ATOM 0 HG LEU A 46 77.643 3.367 12.075 1.00 0.00 H new ATOM 0 HD11 LEU A 46 75.237 3.660 11.506 1.00 0.00 H new ATOM 0 HD12 LEU A 46 76.287 4.238 10.191 1.00 0.00 H new ATOM 0 HD13 LEU A 46 75.467 2.665 10.049 1.00 0.00 H new ATOM 0 HD21 LEU A 46 75.938 1.766 12.932 1.00 0.00 H new ATOM 0 HD22 LEU A 46 76.176 0.750 11.490 1.00 0.00 H new ATOM 0 HD23 LEU A 46 77.502 0.960 12.659 1.00 0.00 H new ATOM 690 N LYS A 47 80.996 2.386 11.201 1.00 0.00 N ATOM 691 CA LYS A 47 82.053 2.339 12.249 1.00 0.00 C ATOM 692 C LYS A 47 82.989 3.553 12.150 1.00 0.00 C ATOM 693 O LYS A 47 83.122 4.312 13.089 1.00 0.00 O ATOM 694 CB LYS A 47 82.863 1.055 12.090 1.00 0.00 C ATOM 695 CG LYS A 47 81.917 -0.143 12.045 1.00 0.00 C ATOM 696 CD LYS A 47 82.729 -1.427 11.860 1.00 0.00 C ATOM 697 CE LYS A 47 81.790 -2.635 11.879 1.00 0.00 C ATOM 698 NZ LYS A 47 81.359 -2.905 13.279 1.00 0.00 N ATOM 0 H LYS A 47 80.938 1.559 10.607 1.00 0.00 H new ATOM 0 HA LYS A 47 81.571 2.361 13.226 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.456 1.098 11.177 1.00 0.00 H new ATOM 0 HB3 LYS A 47 83.562 0.949 12.919 1.00 0.00 H new ATOM 0 HG2 LYS A 47 81.337 -0.197 12.966 1.00 0.00 H new ATOM 0 HG3 LYS A 47 81.206 -0.028 11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 47 83.274 -1.392 10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 47 83.471 -1.518 12.653 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.921 -2.444 11.250 1.00 0.00 H new ATOM 0 HE3 LYS A 47 82.295 -3.509 11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.892 -3.833 13.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 82.190 -2.903 13.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.693 -2.167 13.586 1.00 0.00 H new ATOM 712 N LEU A 48 83.655 3.735 11.037 1.00 0.00 N ATOM 713 CA LEU A 48 84.600 4.893 10.907 1.00 0.00 C ATOM 714 C LEU A 48 83.934 6.167 11.442 1.00 0.00 C ATOM 715 O LEU A 48 84.561 6.978 12.093 1.00 0.00 O ATOM 716 CB LEU A 48 84.993 5.066 9.431 1.00 0.00 C ATOM 717 CG LEU A 48 86.143 6.084 9.264 1.00 0.00 C ATOM 718 CD1 LEU A 48 87.373 5.692 10.100 1.00 0.00 C ATOM 719 CD2 LEU A 48 86.528 6.135 7.784 1.00 0.00 C ATOM 0 H LEU A 48 83.588 3.136 10.214 1.00 0.00 H new ATOM 0 HA LEU A 48 85.500 4.702 11.491 1.00 0.00 H new ATOM 0 HB2 LEU A 48 85.296 4.103 9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.126 5.398 8.860 1.00 0.00 H new ATOM 0 HG LEU A 48 85.803 7.059 9.613 1.00 0.00 H new ATOM 0 HD11 LEU A 48 88.161 6.431 9.957 1.00 0.00 H new ATOM 0 HD12 LEU A 48 87.099 5.653 11.154 1.00 0.00 H new ATOM 0 HD13 LEU A 48 87.732 4.713 9.782 1.00 0.00 H new ATOM 0 HD21 LEU A 48 87.340 6.849 7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 48 86.853 5.147 7.458 1.00 0.00 H new ATOM 0 HD23 LEU A 48 85.666 6.446 7.194 1.00 0.00 H new ATOM 731 N VAL A 49 82.663 6.335 11.198 1.00 0.00 N ATOM 732 CA VAL A 49 81.956 7.542 11.724 1.00 0.00 C ATOM 733 C VAL A 49 81.839 7.401 13.246 1.00 0.00 C ATOM 734 O VAL A 49 82.227 8.270 14.002 1.00 0.00 O ATOM 735 CB VAL A 49 80.538 7.619 11.122 1.00 0.00 C ATOM 736 CG1 VAL A 49 79.726 8.694 11.862 1.00 0.00 C ATOM 737 CG2 VAL A 49 80.597 7.952 9.603 1.00 0.00 C ATOM 0 H VAL A 49 82.083 5.692 10.659 1.00 0.00 H new ATOM 0 HA VAL A 49 82.510 8.442 11.458 1.00 0.00 H new ATOM 0 HB VAL A 49 80.056 6.649 11.239 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.724 8.749 11.437 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.659 8.436 12.919 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.219 9.660 11.755 1.00 0.00 H new ATOM 0 HG21 VAL A 49 79.585 8.001 9.202 1.00 0.00 H new ATOM 0 HG22 VAL A 49 81.091 8.913 9.460 1.00 0.00 H new ATOM 0 HG23 VAL A 49 81.157 7.176 9.082 1.00 0.00 H new ATOM 747 N GLU A 50 81.291 6.302 13.683 1.00 0.00 N ATOM 748 CA GLU A 50 81.111 6.058 15.142 1.00 0.00 C ATOM 749 C GLU A 50 82.378 6.417 15.917 1.00 0.00 C ATOM 750 O GLU A 50 82.325 7.062 16.946 1.00 0.00 O ATOM 751 CB GLU A 50 80.818 4.572 15.361 1.00 0.00 C ATOM 752 CG GLU A 50 79.403 4.240 14.878 1.00 0.00 C ATOM 753 CD GLU A 50 78.379 4.865 15.827 1.00 0.00 C ATOM 754 OE1 GLU A 50 78.791 5.402 16.842 1.00 0.00 O ATOM 755 OE2 GLU A 50 77.200 4.793 15.524 1.00 0.00 O ATOM 0 H GLU A 50 80.955 5.550 13.081 1.00 0.00 H new ATOM 0 HA GLU A 50 80.289 6.678 15.498 1.00 0.00 H new ATOM 0 HB2 GLU A 50 81.546 3.966 14.822 1.00 0.00 H new ATOM 0 HB3 GLU A 50 80.918 4.325 16.418 1.00 0.00 H new ATOM 0 HG2 GLU A 50 79.255 4.618 13.866 1.00 0.00 H new ATOM 0 HG3 GLU A 50 79.265 3.159 14.838 1.00 0.00 H new ATOM 762 N LYS A 51 83.509 5.975 15.457 1.00 0.00 N ATOM 763 CA LYS A 51 84.768 6.258 16.196 1.00 0.00 C ATOM 764 C LYS A 51 85.009 7.766 16.293 1.00 0.00 C ATOM 765 O LYS A 51 85.111 8.313 17.374 1.00 0.00 O ATOM 766 CB LYS A 51 85.927 5.581 15.485 1.00 0.00 C ATOM 767 CG LYS A 51 85.618 4.082 15.377 1.00 0.00 C ATOM 768 CD LYS A 51 86.882 3.281 15.031 1.00 0.00 C ATOM 769 CE LYS A 51 87.692 3.971 13.929 1.00 0.00 C ATOM 770 NZ LYS A 51 88.526 5.052 14.526 1.00 0.00 N ATOM 0 H LYS A 51 83.619 5.430 14.602 1.00 0.00 H new ATOM 0 HA LYS A 51 84.685 5.865 17.209 1.00 0.00 H new ATOM 0 HB2 LYS A 51 86.068 6.012 14.494 1.00 0.00 H new ATOM 0 HB3 LYS A 51 86.854 5.739 16.036 1.00 0.00 H new ATOM 0 HG2 LYS A 51 85.203 3.724 16.319 1.00 0.00 H new ATOM 0 HG3 LYS A 51 84.859 3.918 14.612 1.00 0.00 H new ATOM 0 HD2 LYS A 51 87.499 3.168 15.922 1.00 0.00 H new ATOM 0 HD3 LYS A 51 86.603 2.278 14.707 1.00 0.00 H new ATOM 0 HE2 LYS A 51 88.328 3.245 13.422 1.00 0.00 H new ATOM 0 HE3 LYS A 51 87.022 4.388 13.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 88.415 5.924 13.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 88.221 5.225 15.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 89.525 4.763 14.521 1.00 0.00 H new ATOM 784 N LEU A 52 85.090 8.451 15.186 1.00 0.00 N ATOM 785 CA LEU A 52 85.308 9.915 15.242 1.00 0.00 C ATOM 786 C LEU A 52 84.202 10.521 16.104 1.00 0.00 C ATOM 787 O LEU A 52 84.447 11.273 17.024 1.00 0.00 O ATOM 788 CB LEU A 52 85.248 10.471 13.809 1.00 0.00 C ATOM 789 CG LEU A 52 86.154 11.701 13.673 1.00 0.00 C ATOM 790 CD1 LEU A 52 87.640 11.303 13.825 1.00 0.00 C ATOM 791 CD2 LEU A 52 85.924 12.347 12.300 1.00 0.00 C ATOM 0 H LEU A 52 85.014 8.057 14.248 1.00 0.00 H new ATOM 0 HA LEU A 52 86.278 10.160 15.674 1.00 0.00 H new ATOM 0 HB2 LEU A 52 85.559 9.703 13.101 1.00 0.00 H new ATOM 0 HB3 LEU A 52 84.221 10.738 13.559 1.00 0.00 H new ATOM 0 HG LEU A 52 85.908 12.412 14.461 1.00 0.00 H new ATOM 0 HD11 LEU A 52 88.266 12.190 13.725 1.00 0.00 H new ATOM 0 HD12 LEU A 52 87.798 10.855 14.806 1.00 0.00 H new ATOM 0 HD13 LEU A 52 87.905 10.583 13.051 1.00 0.00 H new ATOM 0 HD21 LEU A 52 86.566 13.222 12.198 1.00 0.00 H new ATOM 0 HD22 LEU A 52 86.162 11.629 11.515 1.00 0.00 H new ATOM 0 HD23 LEU A 52 84.881 12.650 12.210 1.00 0.00 H new ATOM 803 N ASP A 53 82.990 10.165 15.802 1.00 0.00 N ATOM 804 CA ASP A 53 81.822 10.658 16.575 1.00 0.00 C ATOM 805 C ASP A 53 81.669 12.151 16.385 1.00 0.00 C ATOM 806 O ASP A 53 81.986 12.942 17.250 1.00 0.00 O ATOM 807 CB ASP A 53 82.030 10.327 18.044 1.00 0.00 C ATOM 808 CG ASP A 53 80.685 10.301 18.777 1.00 0.00 C ATOM 809 OD1 ASP A 53 80.261 9.222 19.157 1.00 0.00 O ATOM 810 OD2 ASP A 53 80.104 11.361 18.946 1.00 0.00 O ATOM 0 H ASP A 53 82.754 9.538 15.033 1.00 0.00 H new ATOM 0 HA ASP A 53 80.912 10.174 16.221 1.00 0.00 H new ATOM 0 HB2 ASP A 53 82.523 9.360 18.140 1.00 0.00 H new ATOM 0 HB3 ASP A 53 82.687 11.067 18.501 1.00 0.00 H new ATOM 815 N VAL A 54 81.191 12.535 15.250 1.00 0.00 N ATOM 816 CA VAL A 54 81.019 13.977 14.974 1.00 0.00 C ATOM 817 C VAL A 54 80.270 14.170 13.662 1.00 0.00 C ATOM 818 O VAL A 54 80.436 13.423 12.719 1.00 0.00 O ATOM 819 CB VAL A 54 82.403 14.613 14.894 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.282 13.783 13.964 1.00 0.00 C ATOM 821 CG2 VAL A 54 82.297 16.050 14.373 1.00 0.00 C ATOM 0 H VAL A 54 80.909 11.910 14.494 1.00 0.00 H new ATOM 0 HA VAL A 54 80.439 14.448 15.767 1.00 0.00 H new ATOM 0 HB VAL A 54 82.847 14.639 15.889 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.273 14.233 13.903 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.367 12.768 14.353 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.835 13.754 12.970 1.00 0.00 H new ATOM 0 HG21 VAL A 54 83.292 16.492 14.321 1.00 0.00 H new ATOM 0 HG22 VAL A 54 81.850 16.045 13.379 1.00 0.00 H new ATOM 0 HG23 VAL A 54 81.674 16.637 15.048 1.00 0.00 H new ATOM 831 N LYS A 55 79.452 15.179 13.603 1.00 0.00 N ATOM 832 CA LYS A 55 78.692 15.453 12.362 1.00 0.00 C ATOM 833 C LYS A 55 79.667 15.989 11.313 1.00 0.00 C ATOM 834 O LYS A 55 79.405 16.973 10.651 1.00 0.00 O ATOM 835 CB LYS A 55 77.631 16.500 12.653 1.00 0.00 C ATOM 836 CG LYS A 55 76.504 15.868 13.480 1.00 0.00 C ATOM 837 CD LYS A 55 75.620 14.924 12.618 1.00 0.00 C ATOM 838 CE LYS A 55 74.147 15.039 13.050 1.00 0.00 C ATOM 839 NZ LYS A 55 73.420 13.804 12.659 1.00 0.00 N ATOM 0 H LYS A 55 79.278 15.830 14.369 1.00 0.00 H new ATOM 0 HA LYS A 55 78.212 14.545 11.997 1.00 0.00 H new ATOM 0 HB2 LYS A 55 78.070 17.337 13.196 1.00 0.00 H new ATOM 0 HB3 LYS A 55 77.233 16.899 11.720 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.932 15.308 14.311 1.00 0.00 H new ATOM 0 HG3 LYS A 55 75.884 16.654 13.911 1.00 0.00 H new ATOM 0 HD2 LYS A 55 75.719 15.182 11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.960 13.894 12.727 1.00 0.00 H new ATOM 0 HE2 LYS A 55 74.083 15.186 14.128 1.00 0.00 H new ATOM 0 HE3 LYS A 55 73.686 15.909 12.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 72.558 14.059 12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 74.031 13.218 12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 73.161 13.268 13.512 1.00 0.00 H new ATOM 853 N LYS A 56 80.806 15.363 11.181 1.00 0.00 N ATOM 854 CA LYS A 56 81.820 15.853 10.201 1.00 0.00 C ATOM 855 C LYS A 56 81.413 15.470 8.773 1.00 0.00 C ATOM 856 O LYS A 56 80.471 14.736 8.556 1.00 0.00 O ATOM 857 CB LYS A 56 83.180 15.226 10.537 1.00 0.00 C ATOM 858 CG LYS A 56 84.249 15.707 9.545 1.00 0.00 C ATOM 859 CD LYS A 56 85.642 15.516 10.156 1.00 0.00 C ATOM 860 CE LYS A 56 86.716 15.902 9.134 1.00 0.00 C ATOM 861 NZ LYS A 56 86.442 15.218 7.838 1.00 0.00 N ATOM 0 H LYS A 56 81.078 14.534 11.709 1.00 0.00 H new ATOM 0 HA LYS A 56 81.884 16.939 10.263 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.470 15.494 11.553 1.00 0.00 H new ATOM 0 HB3 LYS A 56 83.105 14.139 10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 56 84.171 15.149 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 56 84.088 16.758 9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 56 85.743 16.129 11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.775 14.479 10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 56 86.725 16.983 8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 56 87.702 15.621 9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 87.341 15.013 7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.934 14.328 8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 85.860 15.835 7.236 1.00 0.00 H new ATOM 875 N ASP A 57 82.113 15.985 7.797 1.00 0.00 N ATOM 876 CA ASP A 57 81.775 15.681 6.378 1.00 0.00 C ATOM 877 C ASP A 57 81.652 14.169 6.172 1.00 0.00 C ATOM 878 O ASP A 57 82.616 13.491 5.876 1.00 0.00 O ATOM 879 CB ASP A 57 82.876 16.231 5.470 1.00 0.00 C ATOM 880 CG ASP A 57 83.249 17.644 5.919 1.00 0.00 C ATOM 881 OD1 ASP A 57 84.320 17.803 6.482 1.00 0.00 O ATOM 882 OD2 ASP A 57 82.458 18.544 5.694 1.00 0.00 O ATOM 0 H ASP A 57 82.910 16.608 7.925 1.00 0.00 H new ATOM 0 HA ASP A 57 80.821 16.148 6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 57 83.751 15.583 5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 57 82.535 16.245 4.435 1.00 0.00 H new ATOM 887 N TRP A 58 80.465 13.642 6.326 1.00 0.00 N ATOM 888 CA TRP A 58 80.234 12.184 6.147 1.00 0.00 C ATOM 889 C TRP A 58 79.342 11.965 4.924 1.00 0.00 C ATOM 890 O TRP A 58 79.183 10.871 4.426 1.00 0.00 O ATOM 891 CB TRP A 58 79.512 11.683 7.380 1.00 0.00 C ATOM 892 CG TRP A 58 80.466 11.651 8.534 1.00 0.00 C ATOM 893 CD1 TRP A 58 80.333 12.376 9.671 1.00 0.00 C ATOM 894 CD2 TRP A 58 81.697 10.882 8.682 1.00 0.00 C ATOM 895 NE1 TRP A 58 81.404 12.105 10.503 1.00 0.00 N ATOM 896 CE2 TRP A 58 82.269 11.189 9.939 1.00 0.00 C ATOM 897 CE3 TRP A 58 82.367 9.953 7.859 1.00 0.00 C ATOM 898 CZ2 TRP A 58 83.459 10.602 10.360 1.00 0.00 C ATOM 899 CZ3 TRP A 58 83.566 9.360 8.287 1.00 0.00 C ATOM 900 CH2 TRP A 58 84.110 9.686 9.535 1.00 0.00 C ATOM 0 H TRP A 58 79.631 14.175 6.573 1.00 0.00 H new ATOM 0 HA TRP A 58 81.177 11.656 6.006 1.00 0.00 H new ATOM 0 HB2 TRP A 58 78.667 12.332 7.610 1.00 0.00 H new ATOM 0 HB3 TRP A 58 79.108 10.687 7.199 1.00 0.00 H new ATOM 0 HD1 TRP A 58 79.523 13.055 9.892 1.00 0.00 H new ATOM 0 HE1 TRP A 58 81.538 12.530 11.421 1.00 0.00 H new ATOM 0 HE3 TRP A 58 81.956 9.696 6.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 83.877 10.856 11.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 84.071 8.649 7.650 1.00 0.00 H new ATOM 0 HH2 TRP A 58 85.033 9.228 9.858 1.00 0.00 H new ATOM 911 N SER A 59 78.749 13.008 4.458 1.00 0.00 N ATOM 912 CA SER A 59 77.851 12.903 3.274 1.00 0.00 C ATOM 913 C SER A 59 78.620 12.313 2.092 1.00 0.00 C ATOM 914 O SER A 59 78.206 11.351 1.475 1.00 0.00 O ATOM 915 CB SER A 59 77.361 14.298 2.881 1.00 0.00 C ATOM 916 OG SER A 59 76.317 14.179 1.923 1.00 0.00 O ATOM 0 H SER A 59 78.842 13.947 4.845 1.00 0.00 H new ATOM 0 HA SER A 59 77.007 12.262 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 59 77.003 14.831 3.762 1.00 0.00 H new ATOM 0 HB3 SER A 59 78.184 14.882 2.468 1.00 0.00 H new ATOM 0 HG SER A 59 76.001 15.072 1.671 1.00 0.00 H new ATOM 922 N ASP A 60 79.725 12.914 1.762 1.00 0.00 N ATOM 923 CA ASP A 60 80.540 12.449 0.605 1.00 0.00 C ATOM 924 C ASP A 60 81.591 11.430 1.058 1.00 0.00 C ATOM 925 O ASP A 60 82.507 11.105 0.332 1.00 0.00 O ATOM 926 CB ASP A 60 81.246 13.665 0.032 1.00 0.00 C ATOM 927 CG ASP A 60 81.876 13.318 -1.318 1.00 0.00 C ATOM 928 OD1 ASP A 60 82.370 14.224 -1.968 1.00 0.00 O ATOM 929 OD2 ASP A 60 81.849 12.154 -1.681 1.00 0.00 O ATOM 0 H ASP A 60 80.106 13.723 2.253 1.00 0.00 H new ATOM 0 HA ASP A 60 79.897 11.972 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 60 80.537 14.484 -0.088 1.00 0.00 H new ATOM 0 HB3 ASP A 60 82.015 14.008 0.724 1.00 0.00 H new ATOM 934 N HIS A 61 81.475 10.938 2.251 1.00 0.00 N ATOM 935 CA HIS A 61 82.479 9.956 2.759 1.00 0.00 C ATOM 936 C HIS A 61 82.322 8.616 2.025 1.00 0.00 C ATOM 937 O HIS A 61 81.234 8.107 1.844 1.00 0.00 O ATOM 938 CB HIS A 61 82.269 9.776 4.278 1.00 0.00 C ATOM 939 CG HIS A 61 82.698 8.406 4.738 1.00 0.00 C ATOM 940 ND1 HIS A 61 83.965 7.902 4.503 1.00 0.00 N ATOM 941 CD2 HIS A 61 82.020 7.422 5.411 1.00 0.00 C ATOM 942 CE1 HIS A 61 84.008 6.664 5.027 1.00 0.00 C ATOM 943 NE2 HIS A 61 82.850 6.324 5.591 1.00 0.00 N ATOM 0 H HIS A 61 80.727 11.170 2.905 1.00 0.00 H new ATOM 0 HA HIS A 61 83.489 10.324 2.575 1.00 0.00 H new ATOM 0 HB2 HIS A 61 82.835 10.536 4.817 1.00 0.00 H new ATOM 0 HB3 HIS A 61 81.218 9.930 4.522 1.00 0.00 H new ATOM 0 HD1 HIS A 61 84.726 8.381 4.021 1.00 0.00 H new ATOM 0 HD2 HIS A 61 80.997 7.491 5.749 1.00 0.00 H new ATOM 0 HE1 HIS A 61 84.877 6.023 4.994 1.00 0.00 H new ATOM 951 N ALA A 62 83.424 8.053 1.614 1.00 0.00 N ATOM 952 CA ALA A 62 83.401 6.749 0.898 1.00 0.00 C ATOM 953 C ALA A 62 84.842 6.231 0.807 1.00 0.00 C ATOM 954 O ALA A 62 85.776 7.003 0.750 1.00 0.00 O ATOM 955 CB ALA A 62 82.816 6.954 -0.502 1.00 0.00 C ATOM 0 H ALA A 62 84.355 8.449 1.747 1.00 0.00 H new ATOM 0 HA ALA A 62 82.784 6.024 1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.797 6.001 -1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 62 81.801 7.344 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 62 83.433 7.663 -1.054 1.00 0.00 H new ATOM 961 N LEU A 63 85.040 4.937 0.816 1.00 0.00 N ATOM 962 CA LEU A 63 86.438 4.393 0.755 1.00 0.00 C ATOM 963 C LEU A 63 86.820 4.046 -0.690 1.00 0.00 C ATOM 964 O LEU A 63 85.990 3.660 -1.489 1.00 0.00 O ATOM 965 CB LEU A 63 86.538 3.124 1.613 1.00 0.00 C ATOM 966 CG LEU A 63 86.043 3.383 3.048 1.00 0.00 C ATOM 967 CD1 LEU A 63 86.766 4.599 3.637 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.511 3.614 3.075 1.00 0.00 C ATOM 0 H LEU A 63 84.302 4.235 0.863 1.00 0.00 H new ATOM 0 HA LEU A 63 87.119 5.155 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.948 2.328 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 63 87.572 2.779 1.638 1.00 0.00 H new ATOM 0 HG LEU A 63 86.265 2.502 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 63 86.411 4.777 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 63 87.839 4.410 3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 63 86.562 5.476 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 63 84.188 3.794 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 63 84.262 4.478 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 63 84.003 2.732 2.685 1.00 0.00 H new ATOM 980 N TRP A 64 88.088 4.179 -1.023 1.00 0.00 N ATOM 981 CA TRP A 64 88.567 3.857 -2.410 1.00 0.00 C ATOM 982 C TRP A 64 89.788 2.928 -2.296 1.00 0.00 C ATOM 983 O TRP A 64 90.652 3.110 -1.453 1.00 0.00 O ATOM 984 CB TRP A 64 88.878 5.196 -3.154 1.00 0.00 C ATOM 985 CG TRP A 64 90.318 5.348 -3.588 1.00 0.00 C ATOM 986 CD1 TRP A 64 91.030 4.454 -4.317 1.00 0.00 C ATOM 987 CD2 TRP A 64 91.207 6.489 -3.376 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.304 4.953 -4.517 1.00 0.00 N ATOM 989 CE2 TRP A 64 92.458 6.205 -3.971 1.00 0.00 C ATOM 990 CE3 TRP A 64 91.054 7.722 -2.720 1.00 0.00 C ATOM 991 CZ2 TRP A 64 93.517 7.112 -3.924 1.00 0.00 C ATOM 992 CZ3 TRP A 64 92.118 8.640 -2.671 1.00 0.00 C ATOM 993 CH2 TRP A 64 93.346 8.335 -3.272 1.00 0.00 C ATOM 0 H TRP A 64 88.817 4.500 -0.386 1.00 0.00 H new ATOM 0 HA TRP A 64 87.811 3.333 -2.995 1.00 0.00 H new ATOM 0 HB2 TRP A 64 88.237 5.267 -4.033 1.00 0.00 H new ATOM 0 HB3 TRP A 64 88.618 6.029 -2.501 1.00 0.00 H new ATOM 0 HD1 TRP A 64 90.662 3.506 -4.682 1.00 0.00 H new ATOM 0 HE1 TRP A 64 93.042 4.451 -5.011 1.00 0.00 H new ATOM 0 HE3 TRP A 64 90.113 7.966 -2.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 94.462 6.870 -4.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 91.988 9.586 -2.167 1.00 0.00 H new ATOM 0 HH2 TRP A 64 94.159 9.045 -3.231 1.00 0.00 H new ATOM 1004 N TRP A 65 89.842 1.918 -3.137 1.00 0.00 N ATOM 1005 CA TRP A 65 90.974 0.941 -3.107 1.00 0.00 C ATOM 1006 C TRP A 65 91.979 1.299 -4.209 1.00 0.00 C ATOM 1007 O TRP A 65 91.843 0.867 -5.333 1.00 0.00 O ATOM 1008 CB TRP A 65 90.399 -0.459 -3.367 1.00 0.00 C ATOM 1009 CG TRP A 65 91.352 -1.544 -2.945 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.619 -1.371 -2.487 1.00 0.00 C ATOM 1011 CD2 TRP A 65 91.119 -2.985 -2.946 1.00 0.00 C ATOM 1012 NE1 TRP A 65 93.170 -2.612 -2.221 1.00 0.00 N ATOM 1013 CE2 TRP A 65 92.286 -3.635 -2.486 1.00 0.00 C ATOM 1014 CE3 TRP A 65 90.016 -3.781 -3.305 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 92.359 -5.026 -2.385 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 90.085 -5.180 -3.206 1.00 0.00 C ATOM 1017 CH2 TRP A 65 91.255 -5.801 -2.747 1.00 0.00 C ATOM 0 H TRP A 65 89.138 1.730 -3.851 1.00 0.00 H new ATOM 0 HA TRP A 65 91.480 0.968 -2.142 1.00 0.00 H new ATOM 0 HB2 TRP A 65 89.459 -0.571 -2.827 1.00 0.00 H new ATOM 0 HB3 TRP A 65 90.172 -0.567 -4.428 1.00 0.00 H new ATOM 0 HD1 TRP A 65 93.115 -0.421 -2.353 1.00 0.00 H new ATOM 0 HE1 TRP A 65 94.118 -2.753 -1.871 1.00 0.00 H new ATOM 0 HE3 TRP A 65 89.110 -3.313 -3.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 93.263 -5.499 -2.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 89.232 -5.781 -3.485 1.00 0.00 H new ATOM 0 HH2 TRP A 65 91.303 -6.877 -2.673 1.00 0.00 H new ATOM 1028 N GLU A 66 92.972 2.097 -3.910 1.00 0.00 N ATOM 1029 CA GLU A 66 93.959 2.485 -4.968 1.00 0.00 C ATOM 1030 C GLU A 66 94.609 1.248 -5.572 1.00 0.00 C ATOM 1031 O GLU A 66 95.086 1.288 -6.686 1.00 0.00 O ATOM 1032 CB GLU A 66 95.034 3.406 -4.398 1.00 0.00 C ATOM 1033 CG GLU A 66 95.565 2.819 -3.106 1.00 0.00 C ATOM 1034 CD GLU A 66 96.582 3.777 -2.483 1.00 0.00 C ATOM 1035 OE1 GLU A 66 97.397 3.317 -1.700 1.00 0.00 O ATOM 1036 OE2 GLU A 66 96.528 4.953 -2.800 1.00 0.00 O ATOM 0 H GLU A 66 93.143 2.495 -2.987 1.00 0.00 H new ATOM 0 HA GLU A 66 93.419 3.020 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 66 95.845 3.525 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 66 94.620 4.398 -4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.744 2.643 -2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 66 96.032 1.853 -3.299 1.00 0.00 H new ATOM 1043 N LYS A 67 94.616 0.135 -4.892 1.00 0.00 N ATOM 1044 CA LYS A 67 95.213 -1.062 -5.533 1.00 0.00 C ATOM 1045 C LYS A 67 94.342 -1.336 -6.753 1.00 0.00 C ATOM 1046 O LYS A 67 94.660 -2.122 -7.624 1.00 0.00 O ATOM 1047 CB LYS A 67 95.148 -2.284 -4.626 1.00 0.00 C ATOM 1048 CG LYS A 67 96.128 -2.191 -3.434 1.00 0.00 C ATOM 1049 CD LYS A 67 96.354 -0.753 -2.956 1.00 0.00 C ATOM 1050 CE LYS A 67 97.221 -0.774 -1.696 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.604 -1.200 -2.053 1.00 0.00 N ATOM 0 H LYS A 67 94.246 0.006 -3.950 1.00 0.00 H new ATOM 0 HA LYS A 67 96.262 -0.881 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 67 94.132 -2.398 -4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 67 95.374 -3.177 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 67 95.743 -2.787 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 67 97.085 -2.627 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 67 96.841 -0.169 -3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 67 95.399 -0.272 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 67 97.240 0.215 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 67 96.797 -1.458 -0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 99.247 -0.991 -1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 98.614 -2.222 -2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 98.918 -0.685 -2.900 1.00 0.00 H new ATOM 1065 N LYS A 68 93.204 -0.683 -6.769 1.00 0.00 N ATOM 1066 CA LYS A 68 92.208 -0.852 -7.861 1.00 0.00 C ATOM 1067 C LYS A 68 91.769 0.527 -8.371 1.00 0.00 C ATOM 1068 O LYS A 68 91.104 0.635 -9.382 1.00 0.00 O ATOM 1069 CB LYS A 68 90.965 -1.587 -7.309 1.00 0.00 C ATOM 1070 CG LYS A 68 91.358 -2.629 -6.250 1.00 0.00 C ATOM 1071 CD LYS A 68 91.950 -3.862 -6.938 1.00 0.00 C ATOM 1072 CE LYS A 68 92.605 -4.781 -5.896 1.00 0.00 C ATOM 1073 NZ LYS A 68 92.543 -6.192 -6.373 1.00 0.00 N ATOM 0 H LYS A 68 92.922 -0.021 -6.046 1.00 0.00 H new ATOM 0 HA LYS A 68 92.657 -1.426 -8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 68 90.276 -0.864 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 68 90.437 -2.077 -8.127 1.00 0.00 H new ATOM 0 HG2 LYS A 68 92.084 -2.203 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 68 90.485 -2.912 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 68 91.167 -4.402 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 68 92.688 -3.556 -7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 68 93.642 -4.485 -5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 68 92.093 -4.686 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 92.986 -6.816 -5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 91.550 -6.470 -6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 93.050 -6.275 -7.277 1.00 0.00 H new ATOM 1087 N ARG A 69 92.092 1.575 -7.655 1.00 0.00 N ATOM 1088 CA ARG A 69 91.647 2.934 -8.081 1.00 0.00 C ATOM 1089 C ARG A 69 90.139 2.873 -8.256 1.00 0.00 C ATOM 1090 O ARG A 69 89.594 3.327 -9.243 1.00 0.00 O ATOM 1091 CB ARG A 69 92.304 3.338 -9.413 1.00 0.00 C ATOM 1092 CG ARG A 69 93.789 3.702 -9.204 1.00 0.00 C ATOM 1093 CD ARG A 69 94.656 2.442 -9.286 1.00 0.00 C ATOM 1094 NE ARG A 69 94.862 2.076 -10.717 1.00 0.00 N ATOM 1095 CZ ARG A 69 95.304 0.888 -11.030 1.00 0.00 C ATOM 1096 NH1 ARG A 69 95.480 0.567 -12.283 1.00 0.00 N ATOM 1097 NH2 ARG A 69 95.570 0.023 -10.090 1.00 0.00 N ATOM 0 H ARG A 69 92.643 1.547 -6.797 1.00 0.00 H new ATOM 0 HA ARG A 69 91.934 3.674 -7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 69 92.223 2.518 -10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 69 91.774 4.188 -9.842 1.00 0.00 H new ATOM 0 HG2 ARG A 69 94.105 4.420 -9.960 1.00 0.00 H new ATOM 0 HG3 ARG A 69 93.921 4.181 -8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 69 95.617 2.616 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 69 94.175 1.621 -8.755 1.00 0.00 H new ATOM 0 HE ARG A 69 94.658 2.754 -11.451 1.00 0.00 H new ATOM 0 HH11 ARG A 69 95.272 1.244 -13.017 1.00 0.00 H new ATOM 0 HH12 ARG A 69 95.825 -0.361 -12.528 1.00 0.00 H new ATOM 0 HH21 ARG A 69 95.433 0.275 -9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 69 95.915 -0.905 -10.334 1.00 0.00 H new ATOM 1111 N THR A 70 89.462 2.281 -7.301 1.00 0.00 N ATOM 1112 CA THR A 70 87.982 2.140 -7.392 1.00 0.00 C ATOM 1113 C THR A 70 87.316 2.970 -6.313 1.00 0.00 C ATOM 1114 O THR A 70 87.958 3.652 -5.552 1.00 0.00 O ATOM 1115 CB THR A 70 87.622 0.664 -7.176 1.00 0.00 C ATOM 1116 OG1 THR A 70 86.299 0.427 -7.635 1.00 0.00 O ATOM 1117 CG2 THR A 70 87.726 0.284 -5.688 1.00 0.00 C ATOM 0 H THR A 70 89.879 1.888 -6.457 1.00 0.00 H new ATOM 0 HA THR A 70 87.640 2.482 -8.369 1.00 0.00 H new ATOM 0 HB THR A 70 88.326 0.051 -7.738 1.00 0.00 H new ATOM 0 HG1 THR A 70 86.069 -0.516 -7.499 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.466 -0.767 -5.562 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.746 0.450 -5.341 1.00 0.00 H new ATOM 0 HG23 THR A 70 87.040 0.900 -5.106 1.00 0.00 H new ATOM 1125 N TRP A 71 86.027 2.859 -6.228 1.00 0.00 N ATOM 1126 CA TRP A 71 85.248 3.572 -5.187 1.00 0.00 C ATOM 1127 C TRP A 71 84.443 2.491 -4.478 1.00 0.00 C ATOM 1128 O TRP A 71 83.483 1.967 -4.985 1.00 0.00 O ATOM 1129 CB TRP A 71 84.342 4.631 -5.839 1.00 0.00 C ATOM 1130 CG TRP A 71 84.055 4.251 -7.261 1.00 0.00 C ATOM 1131 CD1 TRP A 71 83.343 3.171 -7.654 1.00 0.00 C ATOM 1132 CD2 TRP A 71 84.470 4.928 -8.482 1.00 0.00 C ATOM 1133 NE1 TRP A 71 83.298 3.137 -9.023 1.00 0.00 N ATOM 1134 CE2 TRP A 71 83.973 4.200 -9.588 1.00 0.00 C ATOM 1135 CE3 TRP A 71 85.220 6.090 -8.736 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 84.211 4.608 -10.900 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 85.462 6.505 -10.056 1.00 0.00 C ATOM 1138 CH2 TRP A 71 84.958 5.765 -11.136 1.00 0.00 C ATOM 0 H TRP A 71 85.463 2.286 -6.856 1.00 0.00 H new ATOM 0 HA TRP A 71 85.881 4.109 -4.481 1.00 0.00 H new ATOM 0 HB2 TRP A 71 83.410 4.718 -5.281 1.00 0.00 H new ATOM 0 HB3 TRP A 71 84.826 5.607 -5.805 1.00 0.00 H new ATOM 0 HD1 TRP A 71 82.883 2.450 -6.994 1.00 0.00 H new ATOM 0 HE1 TRP A 71 82.822 2.412 -9.561 1.00 0.00 H new ATOM 0 HE3 TRP A 71 85.612 6.667 -7.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 83.821 4.034 -11.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 86.039 7.399 -10.240 1.00 0.00 H new ATOM 0 HH2 TRP A 71 85.147 6.089 -12.149 1.00 0.00 H new ATOM 1149 N LEU A 72 84.870 2.097 -3.333 1.00 0.00 N ATOM 1150 CA LEU A 72 84.172 0.994 -2.643 1.00 0.00 C ATOM 1151 C LEU A 72 82.731 1.386 -2.335 1.00 0.00 C ATOM 1152 O LEU A 72 82.403 1.874 -1.273 1.00 0.00 O ATOM 1153 CB LEU A 72 84.948 0.647 -1.378 1.00 0.00 C ATOM 1154 CG LEU A 72 86.389 0.278 -1.775 1.00 0.00 C ATOM 1155 CD1 LEU A 72 87.287 0.310 -0.542 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.431 -1.122 -2.422 1.00 0.00 C ATOM 0 H LEU A 72 85.673 2.487 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 72 84.130 0.113 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 72 84.949 1.493 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.473 -0.185 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 72 86.749 1.006 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.306 0.048 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.277 1.311 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.921 -0.406 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.458 -1.366 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 72 86.059 -1.862 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 72 85.806 -1.129 -3.315 1.00 0.00 H new ATOM 1168 N LEU A 73 81.868 1.149 -3.291 1.00 0.00 N ATOM 1169 CA LEU A 73 80.410 1.459 -3.130 1.00 0.00 C ATOM 1170 C LEU A 73 79.605 0.186 -3.398 1.00 0.00 C ATOM 1171 O LEU A 73 78.398 0.220 -3.533 1.00 0.00 O ATOM 1172 CB LEU A 73 79.977 2.561 -4.122 1.00 0.00 C ATOM 1173 CG LEU A 73 80.351 2.191 -5.584 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.231 1.393 -6.271 1.00 0.00 C ATOM 1175 CD2 LEU A 73 80.573 3.474 -6.396 1.00 0.00 C ATOM 0 H LEU A 73 82.116 0.746 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 73 80.228 1.816 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 73 78.900 2.715 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 73 80.453 3.503 -3.851 1.00 0.00 H new ATOM 0 HG LEU A 73 81.255 1.583 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.529 1.153 -7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 73 79.050 0.471 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.319 1.989 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.835 3.215 -7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.659 4.068 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.382 4.052 -5.949 1.00 0.00 H new ATOM 1187 N LYS A 74 80.266 -0.940 -3.488 1.00 0.00 N ATOM 1188 CA LYS A 74 79.541 -2.219 -3.763 1.00 0.00 C ATOM 1189 C LYS A 74 78.965 -2.760 -2.441 1.00 0.00 C ATOM 1190 O LYS A 74 79.547 -3.606 -1.792 1.00 0.00 O ATOM 1191 CB LYS A 74 80.527 -3.235 -4.399 1.00 0.00 C ATOM 1192 CG LYS A 74 80.107 -3.603 -5.847 1.00 0.00 C ATOM 1193 CD LYS A 74 80.077 -2.381 -6.790 1.00 0.00 C ATOM 1194 CE LYS A 74 81.299 -1.488 -6.577 1.00 0.00 C ATOM 1195 NZ LYS A 74 81.484 -0.610 -7.767 1.00 0.00 N ATOM 0 H LYS A 74 81.277 -1.030 -3.383 1.00 0.00 H new ATOM 0 HA LYS A 74 78.719 -2.053 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.532 -2.813 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.565 -4.138 -3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 74 80.799 -4.345 -6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 74 79.120 -4.066 -5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 74 80.046 -2.719 -7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 74 79.168 -1.806 -6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 74 81.168 -0.882 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 74 82.188 -2.100 -6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 81.846 0.316 -7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 82.164 -1.049 -8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 80.572 -0.483 -8.250 1.00 0.00 H new ATOM 1209 N THR A 75 77.830 -2.265 -2.037 1.00 0.00 N ATOM 1210 CA THR A 75 77.222 -2.733 -0.758 1.00 0.00 C ATOM 1211 C THR A 75 76.602 -4.129 -0.950 1.00 0.00 C ATOM 1212 O THR A 75 76.245 -4.790 0.005 1.00 0.00 O ATOM 1213 CB THR A 75 76.140 -1.712 -0.324 1.00 0.00 C ATOM 1214 OG1 THR A 75 76.252 -0.559 -1.144 1.00 0.00 O ATOM 1215 CG2 THR A 75 76.323 -1.305 1.149 1.00 0.00 C ATOM 0 H THR A 75 77.295 -1.555 -2.537 1.00 0.00 H new ATOM 0 HA THR A 75 77.986 -2.806 0.016 1.00 0.00 H new ATOM 0 HB THR A 75 75.157 -2.170 -0.433 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.674 -0.659 -1.929 1.00 0.00 H new ATOM 0 HG21 THR A 75 75.551 -0.588 1.427 1.00 0.00 H new ATOM 0 HG22 THR A 75 76.244 -2.188 1.783 1.00 0.00 H new ATOM 0 HG23 THR A 75 77.305 -0.850 1.282 1.00 0.00 H new ATOM 1223 N HIS A 76 76.467 -4.585 -2.172 1.00 0.00 N ATOM 1224 CA HIS A 76 75.864 -5.937 -2.404 1.00 0.00 C ATOM 1225 C HIS A 76 76.977 -6.998 -2.424 1.00 0.00 C ATOM 1226 O HIS A 76 76.994 -7.890 -3.249 1.00 0.00 O ATOM 1227 CB HIS A 76 75.076 -5.942 -3.733 1.00 0.00 C ATOM 1228 CG HIS A 76 75.676 -4.959 -4.703 1.00 0.00 C ATOM 1229 ND1 HIS A 76 76.224 -5.358 -5.912 1.00 0.00 N ATOM 1230 CD2 HIS A 76 75.794 -3.591 -4.672 1.00 0.00 C ATOM 1231 CE1 HIS A 76 76.640 -4.251 -6.554 1.00 0.00 C ATOM 1232 NE2 HIS A 76 76.402 -3.146 -5.841 1.00 0.00 N ATOM 0 H HIS A 76 76.746 -4.083 -3.015 1.00 0.00 H new ATOM 0 HA HIS A 76 75.171 -6.172 -1.596 1.00 0.00 H new ATOM 0 HB2 HIS A 76 75.087 -6.942 -4.166 1.00 0.00 H new ATOM 0 HB3 HIS A 76 74.033 -5.687 -3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 76 75.464 -2.957 -3.862 1.00 0.00 H new ATOM 0 HE1 HIS A 76 77.109 -4.255 -7.527 1.00 0.00 H new ATOM 0 HE2 HIS A 76 76.619 -2.183 -6.099 1.00 0.00 H new ATOM 1240 N TRP A 77 77.894 -6.910 -1.499 1.00 0.00 N ATOM 1241 CA TRP A 77 79.002 -7.902 -1.421 1.00 0.00 C ATOM 1242 C TRP A 77 79.793 -7.608 -0.139 1.00 0.00 C ATOM 1243 O TRP A 77 79.356 -6.835 0.691 1.00 0.00 O ATOM 1244 CB TRP A 77 79.913 -7.775 -2.661 1.00 0.00 C ATOM 1245 CG TRP A 77 79.434 -8.670 -3.775 1.00 0.00 C ATOM 1246 CD1 TRP A 77 79.138 -9.991 -3.662 1.00 0.00 C ATOM 1247 CD2 TRP A 77 79.205 -8.324 -5.172 1.00 0.00 C ATOM 1248 NE1 TRP A 77 78.732 -10.465 -4.897 1.00 0.00 N ATOM 1249 CE2 TRP A 77 78.758 -9.478 -5.858 1.00 0.00 C ATOM 1250 CE3 TRP A 77 79.338 -7.132 -5.900 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 78.453 -9.447 -7.220 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 79.034 -7.095 -7.271 1.00 0.00 C ATOM 1253 CH2 TRP A 77 78.592 -8.251 -7.929 1.00 0.00 C ATOM 0 H TRP A 77 77.922 -6.182 -0.785 1.00 0.00 H new ATOM 0 HA TRP A 77 78.611 -8.919 -1.399 1.00 0.00 H new ATOM 0 HB2 TRP A 77 79.928 -6.740 -3.002 1.00 0.00 H new ATOM 0 HB3 TRP A 77 80.937 -8.037 -2.393 1.00 0.00 H new ATOM 0 HD1 TRP A 77 79.208 -10.576 -2.757 1.00 0.00 H new ATOM 0 HE1 TRP A 77 78.448 -11.428 -5.074 1.00 0.00 H new ATOM 0 HE3 TRP A 77 79.677 -6.235 -5.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 78.112 -10.341 -7.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 79.141 -6.172 -7.821 1.00 0.00 H new ATOM 0 HH2 TRP A 77 78.359 -8.217 -8.983 1.00 0.00 H new ATOM 1264 N THR A 78 80.938 -8.221 0.048 1.00 0.00 N ATOM 1265 CA THR A 78 81.725 -7.972 1.294 1.00 0.00 C ATOM 1266 C THR A 78 83.219 -7.889 0.954 1.00 0.00 C ATOM 1267 O THR A 78 83.614 -7.837 -0.193 1.00 0.00 O ATOM 1268 CB THR A 78 81.456 -9.147 2.274 1.00 0.00 C ATOM 1269 OG1 THR A 78 80.431 -9.966 1.733 1.00 0.00 O ATOM 1270 CG2 THR A 78 81.009 -8.648 3.657 1.00 0.00 C ATOM 0 H THR A 78 81.359 -8.880 -0.607 1.00 0.00 H new ATOM 0 HA THR A 78 81.428 -7.030 1.754 1.00 0.00 H new ATOM 0 HB THR A 78 82.385 -9.704 2.398 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.142 -10.616 2.407 1.00 0.00 H new ATOM 0 HG21 THR A 78 80.831 -9.501 4.312 1.00 0.00 H new ATOM 0 HG22 THR A 78 81.788 -8.018 4.086 1.00 0.00 H new ATOM 0 HG23 THR A 78 80.090 -8.071 3.556 1.00 0.00 H new ATOM 1278 N LEU A 79 84.039 -7.893 1.963 1.00 0.00 N ATOM 1279 CA LEU A 79 85.511 -7.832 1.754 1.00 0.00 C ATOM 1280 C LEU A 79 85.922 -9.112 1.045 1.00 0.00 C ATOM 1281 O LEU A 79 86.450 -9.103 -0.045 1.00 0.00 O ATOM 1282 CB LEU A 79 86.220 -7.795 3.110 1.00 0.00 C ATOM 1283 CG LEU A 79 86.099 -6.416 3.775 1.00 0.00 C ATOM 1284 CD1 LEU A 79 84.644 -5.954 3.779 1.00 0.00 C ATOM 1285 CD2 LEU A 79 86.592 -6.517 5.226 1.00 0.00 C ATOM 0 H LEU A 79 83.748 -7.937 2.940 1.00 0.00 H new ATOM 0 HA LEU A 79 85.775 -6.946 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.793 -8.554 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 79 87.273 -8.044 2.977 1.00 0.00 H new ATOM 0 HG LEU A 79 86.700 -5.698 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.574 -4.975 4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 79 84.281 -5.887 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 79 84.037 -6.670 4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.510 -5.542 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 79 85.983 -7.241 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.633 -6.839 5.235 1.00 0.00 H new ATOM 1297 N ASP A 80 85.663 -10.218 1.680 1.00 0.00 N ATOM 1298 CA ASP A 80 86.006 -11.539 1.093 1.00 0.00 C ATOM 1299 C ASP A 80 85.577 -11.582 -0.363 1.00 0.00 C ATOM 1300 O ASP A 80 86.343 -11.909 -1.248 1.00 0.00 O ATOM 1301 CB ASP A 80 85.234 -12.605 1.848 1.00 0.00 C ATOM 1302 CG ASP A 80 85.595 -13.989 1.307 1.00 0.00 C ATOM 1303 OD1 ASP A 80 84.685 -14.722 0.955 1.00 0.00 O ATOM 1304 OD2 ASP A 80 86.775 -14.292 1.252 1.00 0.00 O ATOM 0 H ASP A 80 85.220 -10.262 2.598 1.00 0.00 H new ATOM 0 HA ASP A 80 87.081 -11.705 1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 80 85.465 -12.549 2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 80 84.163 -12.432 1.745 1.00 0.00 H new ATOM 1309 N LYS A 81 84.341 -11.269 -0.606 1.00 0.00 N ATOM 1310 CA LYS A 81 83.815 -11.301 -1.993 1.00 0.00 C ATOM 1311 C LYS A 81 84.808 -10.629 -2.936 1.00 0.00 C ATOM 1312 O LYS A 81 85.251 -11.204 -3.910 1.00 0.00 O ATOM 1313 CB LYS A 81 82.485 -10.548 -2.056 1.00 0.00 C ATOM 1314 CG LYS A 81 81.642 -10.847 -0.816 1.00 0.00 C ATOM 1315 CD LYS A 81 81.530 -12.356 -0.598 1.00 0.00 C ATOM 1316 CE LYS A 81 80.510 -12.643 0.510 1.00 0.00 C ATOM 1317 NZ LYS A 81 80.049 -14.057 0.402 1.00 0.00 N ATOM 0 H LYS A 81 83.665 -10.989 0.104 1.00 0.00 H new ATOM 0 HA LYS A 81 83.667 -12.339 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 81 82.670 -9.476 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 81 81.938 -10.838 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 81 82.093 -10.379 0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 81 80.648 -10.415 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 81 81.224 -12.845 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 81 82.502 -12.767 -0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 81 80.959 -12.469 1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 81 79.661 -11.964 0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 79.357 -14.255 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 79.605 -14.208 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 80.863 -14.696 0.505 1.00 0.00 H new ATOM 1331 N TYR A 82 85.149 -9.410 -2.650 1.00 0.00 N ATOM 1332 CA TYR A 82 86.104 -8.684 -3.528 1.00 0.00 C ATOM 1333 C TYR A 82 87.508 -9.282 -3.349 1.00 0.00 C ATOM 1334 O TYR A 82 88.233 -9.472 -4.305 1.00 0.00 O ATOM 1335 CB TYR A 82 86.086 -7.186 -3.153 1.00 0.00 C ATOM 1336 CG TYR A 82 86.184 -6.320 -4.396 1.00 0.00 C ATOM 1337 CD1 TYR A 82 85.235 -5.313 -4.628 1.00 0.00 C ATOM 1338 CD2 TYR A 82 87.221 -6.526 -5.315 1.00 0.00 C ATOM 1339 CE1 TYR A 82 85.325 -4.516 -5.775 1.00 0.00 C ATOM 1340 CE2 TYR A 82 87.310 -5.728 -6.462 1.00 0.00 C ATOM 1341 CZ TYR A 82 86.362 -4.723 -6.692 1.00 0.00 C ATOM 1342 OH TYR A 82 86.449 -3.938 -7.823 1.00 0.00 O ATOM 0 H TYR A 82 84.809 -8.882 -1.846 1.00 0.00 H new ATOM 0 HA TYR A 82 85.818 -8.786 -4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 82 85.169 -6.952 -2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 82 86.916 -6.964 -2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 82 84.434 -5.153 -3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 82 87.952 -7.301 -5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 82 84.594 -3.741 -5.953 1.00 0.00 H new ATOM 0 HE2 TYR A 82 88.110 -5.887 -7.170 1.00 0.00 H new ATOM 0 HH TYR A 82 87.227 -4.212 -8.352 1.00 0.00 H new ATOM 1352 N GLY A 83 87.890 -9.581 -2.129 1.00 0.00 N ATOM 1353 CA GLY A 83 89.245 -10.169 -1.870 1.00 0.00 C ATOM 1354 C GLY A 83 90.015 -9.237 -0.938 1.00 0.00 C ATOM 1355 O GLY A 83 91.206 -9.377 -0.740 1.00 0.00 O ATOM 0 H GLY A 83 87.318 -9.442 -1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.148 -11.157 -1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 83 89.786 -10.297 -2.807 1.00 0.00 H new ATOM 1359 N ILE A 84 89.336 -8.285 -0.367 1.00 0.00 N ATOM 1360 CA ILE A 84 90.006 -7.330 0.554 1.00 0.00 C ATOM 1361 C ILE A 84 90.368 -8.044 1.854 1.00 0.00 C ATOM 1362 O ILE A 84 89.828 -9.082 2.179 1.00 0.00 O ATOM 1363 CB ILE A 84 89.053 -6.167 0.842 1.00 0.00 C ATOM 1364 CG1 ILE A 84 88.725 -5.439 -0.470 1.00 0.00 C ATOM 1365 CG2 ILE A 84 89.711 -5.184 1.811 1.00 0.00 C ATOM 1366 CD1 ILE A 84 87.391 -4.700 -0.333 1.00 0.00 C ATOM 0 H ILE A 84 88.337 -8.126 -0.500 1.00 0.00 H new ATOM 0 HA ILE A 84 90.918 -6.948 0.096 1.00 0.00 H new ATOM 0 HB ILE A 84 88.138 -6.557 1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.519 -4.733 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.672 -6.155 -1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 84 89.028 -4.359 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 84 89.946 -5.696 2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.628 -4.796 1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 84 87.163 -4.185 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.600 -5.416 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.460 -3.972 0.475 1.00 0.00 H new ATOM 1378 N GLN A 85 91.278 -7.489 2.596 1.00 0.00 N ATOM 1379 CA GLN A 85 91.694 -8.114 3.879 1.00 0.00 C ATOM 1380 C GLN A 85 92.596 -7.132 4.635 1.00 0.00 C ATOM 1381 O GLN A 85 92.661 -5.961 4.316 1.00 0.00 O ATOM 1382 CB GLN A 85 92.464 -9.420 3.588 1.00 0.00 C ATOM 1383 CG GLN A 85 92.231 -10.450 4.715 1.00 0.00 C ATOM 1384 CD GLN A 85 90.983 -11.280 4.415 1.00 0.00 C ATOM 1385 OE1 GLN A 85 90.984 -12.485 4.567 1.00 0.00 O ATOM 1386 NE2 GLN A 85 89.915 -10.675 3.990 1.00 0.00 N ATOM 0 H GLN A 85 91.758 -6.619 2.367 1.00 0.00 H new ATOM 0 HA GLN A 85 90.818 -8.347 4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 85 92.138 -9.836 2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 85 93.529 -9.208 3.496 1.00 0.00 H new ATOM 0 HG2 GLN A 85 93.099 -11.103 4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 85 92.116 -9.937 5.670 1.00 0.00 H new ATOM 0 HE21 GLN A 85 89.918 -9.663 3.864 1.00 0.00 H new ATOM 0 HE22 GLN A 85 89.073 -11.212 3.783 1.00 0.00 H new ATOM 1395 N ALA A 86 93.292 -7.604 5.627 1.00 0.00 N ATOM 1396 CA ALA A 86 94.190 -6.709 6.407 1.00 0.00 C ATOM 1397 C ALA A 86 95.401 -6.314 5.562 1.00 0.00 C ATOM 1398 O ALA A 86 96.047 -5.318 5.817 1.00 0.00 O ATOM 1399 CB ALA A 86 94.672 -7.456 7.647 1.00 0.00 C ATOM 0 H ALA A 86 93.278 -8.577 5.934 1.00 0.00 H new ATOM 0 HA ALA A 86 93.644 -5.810 6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 86 95.331 -6.810 8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 86 93.814 -7.741 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 86 95.215 -8.351 7.344 1.00 0.00 H new ATOM 1405 N ASP A 87 95.721 -7.087 4.566 1.00 0.00 N ATOM 1406 CA ASP A 87 96.896 -6.750 3.719 1.00 0.00 C ATOM 1407 C ASP A 87 96.490 -5.673 2.720 1.00 0.00 C ATOM 1408 O ASP A 87 97.311 -5.095 2.035 1.00 0.00 O ATOM 1409 CB ASP A 87 97.353 -8.000 2.971 1.00 0.00 C ATOM 1410 CG ASP A 87 96.152 -8.649 2.280 1.00 0.00 C ATOM 1411 OD1 ASP A 87 95.212 -7.934 1.975 1.00 0.00 O ATOM 1412 OD2 ASP A 87 96.194 -9.850 2.069 1.00 0.00 O ATOM 0 H ASP A 87 95.221 -7.936 4.301 1.00 0.00 H new ATOM 0 HA ASP A 87 97.713 -6.384 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 87 98.112 -7.738 2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 87 97.811 -8.705 3.665 1.00 0.00 H new ATOM 1417 N ALA A 88 95.219 -5.403 2.640 1.00 0.00 N ATOM 1418 CA ALA A 88 94.714 -4.365 1.701 1.00 0.00 C ATOM 1419 C ALA A 88 94.461 -3.078 2.485 1.00 0.00 C ATOM 1420 O ALA A 88 93.584 -3.020 3.320 1.00 0.00 O ATOM 1421 CB ALA A 88 93.405 -4.879 1.104 1.00 0.00 C ATOM 0 H ALA A 88 94.497 -5.865 3.194 1.00 0.00 H new ATOM 0 HA ALA A 88 95.433 -4.163 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 88 93.007 -4.140 0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.589 -5.813 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 88 92.684 -5.051 1.903 1.00 0.00 H new ATOM 1427 N LYS A 89 95.220 -2.044 2.236 1.00 0.00 N ATOM 1428 CA LYS A 89 95.009 -0.767 2.985 1.00 0.00 C ATOM 1429 C LYS A 89 94.088 0.153 2.195 1.00 0.00 C ATOM 1430 O LYS A 89 94.414 0.623 1.123 1.00 0.00 O ATOM 1431 CB LYS A 89 96.343 -0.051 3.234 1.00 0.00 C ATOM 1432 CG LYS A 89 97.436 -1.050 3.631 1.00 0.00 C ATOM 1433 CD LYS A 89 97.213 -1.562 5.067 1.00 0.00 C ATOM 1434 CE LYS A 89 97.900 -2.915 5.237 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.368 -2.760 5.026 1.00 0.00 N ATOM 0 H LYS A 89 95.974 -2.026 1.550 1.00 0.00 H new ATOM 0 HA LYS A 89 94.555 -1.010 3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.645 0.486 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.220 0.691 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.437 -1.890 2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.414 -0.574 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 89 97.612 -0.846 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 89 96.146 -1.656 5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 89 97.705 -3.310 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.494 -3.633 4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 99.860 -3.610 5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.561 -2.633 4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.708 -1.929 5.550 1.00 0.00 H new ATOM 1449 N LEU A 90 92.945 0.423 2.745 1.00 0.00 N ATOM 1450 CA LEU A 90 91.969 1.331 2.084 1.00 0.00 C ATOM 1451 C LEU A 90 92.245 2.753 2.550 1.00 0.00 C ATOM 1452 O LEU A 90 93.102 2.984 3.376 1.00 0.00 O ATOM 1453 CB LEU A 90 90.541 0.927 2.457 1.00 0.00 C ATOM 1454 CG LEU A 90 90.427 -0.594 2.446 1.00 0.00 C ATOM 1455 CD1 LEU A 90 88.969 -0.999 2.677 1.00 0.00 C ATOM 1456 CD2 LEU A 90 90.905 -1.142 1.096 1.00 0.00 C ATOM 0 H LEU A 90 92.637 0.047 3.642 1.00 0.00 H new ATOM 0 HA LEU A 90 92.073 1.265 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.287 1.315 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 90 89.832 1.361 1.752 1.00 0.00 H new ATOM 0 HG LEU A 90 91.049 -1.007 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 90 88.888 -2.086 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.634 -0.617 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.346 -0.583 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 90 90.821 -2.229 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 90 90.289 -0.729 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.945 -0.858 0.936 1.00 0.00 H new ATOM 1468 N GLN A 91 91.539 3.708 2.022 1.00 0.00 N ATOM 1469 CA GLN A 91 91.756 5.127 2.445 1.00 0.00 C ATOM 1470 C GLN A 91 90.394 5.817 2.531 1.00 0.00 C ATOM 1471 O GLN A 91 89.482 5.499 1.794 1.00 0.00 O ATOM 1472 CB GLN A 91 92.640 5.886 1.430 1.00 0.00 C ATOM 1473 CG GLN A 91 93.678 4.957 0.774 1.00 0.00 C ATOM 1474 CD GLN A 91 94.233 5.636 -0.468 1.00 0.00 C ATOM 1475 OE1 GLN A 91 95.418 5.585 -0.731 1.00 0.00 O ATOM 1476 NE2 GLN A 91 93.417 6.274 -1.247 1.00 0.00 N ATOM 0 H GLN A 91 90.818 3.573 1.314 1.00 0.00 H new ATOM 0 HA GLN A 91 92.263 5.133 3.410 1.00 0.00 H new ATOM 0 HB2 GLN A 91 92.010 6.330 0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 91 93.152 6.705 1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 91 94.483 4.737 1.475 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.218 4.005 0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 91 92.423 6.314 -1.022 1.00 0.00 H new ATOM 0 HE22 GLN A 91 93.769 6.736 -2.085 1.00 0.00 H new ATOM 1485 N PHE A 92 90.253 6.768 3.414 1.00 0.00 N ATOM 1486 CA PHE A 92 88.955 7.493 3.537 1.00 0.00 C ATOM 1487 C PHE A 92 89.045 8.785 2.713 1.00 0.00 C ATOM 1488 O PHE A 92 90.072 9.432 2.667 1.00 0.00 O ATOM 1489 CB PHE A 92 88.678 7.788 5.040 1.00 0.00 C ATOM 1490 CG PHE A 92 87.878 9.075 5.218 1.00 0.00 C ATOM 1491 CD1 PHE A 92 88.490 10.320 5.009 1.00 0.00 C ATOM 1492 CD2 PHE A 92 86.532 9.021 5.593 1.00 0.00 C ATOM 1493 CE1 PHE A 92 87.760 11.501 5.173 1.00 0.00 C ATOM 1494 CE2 PHE A 92 85.801 10.205 5.757 1.00 0.00 C ATOM 1495 CZ PHE A 92 86.415 11.444 5.547 1.00 0.00 C ATOM 0 H PHE A 92 90.982 7.075 4.057 1.00 0.00 H new ATOM 0 HA PHE A 92 88.129 6.893 3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 92 88.131 6.954 5.481 1.00 0.00 H new ATOM 0 HB3 PHE A 92 89.623 7.869 5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 92 89.530 10.366 4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 92 86.055 8.066 5.756 1.00 0.00 H new ATOM 0 HE1 PHE A 92 88.236 12.457 5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 92 84.761 10.161 6.046 1.00 0.00 H new ATOM 0 HZ PHE A 92 85.850 12.356 5.674 1.00 0.00 H new ATOM 1505 N THR A 93 87.975 9.168 2.065 1.00 0.00 N ATOM 1506 CA THR A 93 88.002 10.426 1.256 1.00 0.00 C ATOM 1507 C THR A 93 86.570 10.980 1.127 1.00 0.00 C ATOM 1508 O THR A 93 85.631 10.221 0.990 1.00 0.00 O ATOM 1509 CB THR A 93 88.566 10.133 -0.142 1.00 0.00 C ATOM 1510 OG1 THR A 93 88.800 11.360 -0.819 1.00 0.00 O ATOM 1511 CG2 THR A 93 87.570 9.288 -0.945 1.00 0.00 C ATOM 0 H THR A 93 87.086 8.667 2.060 1.00 0.00 H new ATOM 0 HA THR A 93 88.636 11.161 1.752 1.00 0.00 H new ATOM 0 HB THR A 93 89.501 9.581 -0.043 1.00 0.00 H new ATOM 0 HG1 THR A 93 89.162 11.177 -1.711 1.00 0.00 H new ATOM 0 HG21 THR A 93 87.979 9.086 -1.935 1.00 0.00 H new ATOM 0 HG22 THR A 93 87.391 8.346 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 93 86.630 9.831 -1.045 1.00 0.00 H new ATOM 1519 N PRO A 94 86.389 12.285 1.151 1.00 0.00 N ATOM 1520 CA PRO A 94 85.036 12.899 1.015 1.00 0.00 C ATOM 1521 C PRO A 94 84.579 12.925 -0.450 1.00 0.00 C ATOM 1522 O PRO A 94 84.304 11.863 -0.983 1.00 0.00 O ATOM 1523 CB PRO A 94 85.243 14.318 1.551 1.00 0.00 C ATOM 1524 CG PRO A 94 86.654 14.641 1.188 1.00 0.00 C ATOM 1525 CD PRO A 94 87.430 13.323 1.312 1.00 0.00 C ATOM 0 HA PRO A 94 84.263 12.346 1.548 1.00 0.00 H new ATOM 0 HB2 PRO A 94 84.544 15.021 1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 94 85.088 14.364 2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 94 86.716 15.037 0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 94 87.065 15.401 1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 94 88.201 13.239 0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 94 87.930 13.242 2.277 1.00 0.00 H new TER 1533 PRO A 94 ATOM 1534 N TYR B 541 48.899 39.735 10.210 1.00 0.00 N ATOM 1535 CA TYR B 541 50.330 39.318 10.227 1.00 0.00 C ATOM 1536 C TYR B 541 50.547 38.282 11.332 1.00 0.00 C ATOM 1537 O TYR B 541 51.624 38.163 11.882 1.00 0.00 O ATOM 1538 CB TYR B 541 51.213 40.540 10.494 1.00 0.00 C ATOM 1539 CG TYR B 541 50.992 41.567 9.410 1.00 0.00 C ATOM 1540 CD1 TYR B 541 50.137 42.653 9.637 1.00 0.00 C ATOM 1541 CD2 TYR B 541 51.642 41.434 8.177 1.00 0.00 C ATOM 1542 CE1 TYR B 541 49.933 43.605 8.630 1.00 0.00 C ATOM 1543 CE2 TYR B 541 51.438 42.386 7.172 1.00 0.00 C ATOM 1544 CZ TYR B 541 50.583 43.471 7.398 1.00 0.00 C ATOM 1545 OH TYR B 541 50.382 44.410 6.406 1.00 0.00 O ATOM 0 HA TYR B 541 50.593 38.882 9.263 1.00 0.00 H new ATOM 0 HB2 TYR B 541 50.976 40.967 11.468 1.00 0.00 H new ATOM 0 HB3 TYR B 541 52.262 40.245 10.522 1.00 0.00 H new ATOM 0 HD1 TYR B 541 49.635 42.756 10.588 1.00 0.00 H new ATOM 0 HD2 TYR B 541 52.301 40.596 8.002 1.00 0.00 H new ATOM 0 HE1 TYR B 541 49.274 44.443 8.804 1.00 0.00 H new ATOM 0 HE2 TYR B 541 51.940 42.284 6.222 1.00 0.00 H new ATOM 0 HH TYR B 541 50.908 44.168 5.615 1.00 0.00 H new ATOM 1555 N HIS B 542 49.532 37.531 11.663 1.00 0.00 N ATOM 1556 CA HIS B 542 49.676 36.508 12.728 1.00 0.00 C ATOM 1557 C HIS B 542 50.618 35.398 12.252 1.00 0.00 C ATOM 1558 O HIS B 542 51.612 35.651 11.601 1.00 0.00 O ATOM 1559 CB HIS B 542 48.302 35.917 13.034 1.00 0.00 C ATOM 1560 CG HIS B 542 47.341 37.026 13.369 1.00 0.00 C ATOM 1561 ND1 HIS B 542 46.184 37.246 12.638 1.00 0.00 N ATOM 1562 CD2 HIS B 542 47.351 37.983 14.353 1.00 0.00 C ATOM 1563 CE1 HIS B 542 45.551 38.298 13.189 1.00 0.00 C ATOM 1564 NE2 HIS B 542 46.220 38.785 14.238 1.00 0.00 N ATOM 0 H HIS B 542 48.607 37.585 11.237 1.00 0.00 H new ATOM 0 HA HIS B 542 50.090 36.966 13.626 1.00 0.00 H new ATOM 0 HB2 HIS B 542 47.938 35.353 12.175 1.00 0.00 H new ATOM 0 HB3 HIS B 542 48.372 35.218 13.868 1.00 0.00 H new ATOM 0 HD2 HIS B 542 48.120 38.096 15.103 1.00 0.00 H new ATOM 0 HE1 HIS B 542 44.616 38.700 12.827 1.00 0.00 H new ATOM 0 HE2 HIS B 542 45.958 39.575 14.828 1.00 0.00 H new ATOM 1572 N GLU B 543 50.312 34.171 12.575 1.00 0.00 N ATOM 1573 CA GLU B 543 51.188 33.044 12.144 1.00 0.00 C ATOM 1574 C GLU B 543 51.279 33.018 10.617 1.00 0.00 C ATOM 1575 O GLU B 543 51.975 32.206 10.041 1.00 0.00 O ATOM 1576 CB GLU B 543 50.597 31.723 12.640 1.00 0.00 C ATOM 1577 CG GLU B 543 49.097 31.692 12.341 1.00 0.00 C ATOM 1578 CD GLU B 543 48.566 30.270 12.529 1.00 0.00 C ATOM 1579 OE1 GLU B 543 47.443 30.020 12.123 1.00 0.00 O ATOM 1580 OE2 GLU B 543 49.291 29.455 13.075 1.00 0.00 O ATOM 0 H GLU B 543 49.493 33.900 13.119 1.00 0.00 H new ATOM 0 HA GLU B 543 52.185 33.180 12.564 1.00 0.00 H new ATOM 0 HB2 GLU B 543 51.093 30.884 12.152 1.00 0.00 H new ATOM 0 HB3 GLU B 543 50.768 31.615 13.711 1.00 0.00 H new ATOM 0 HG2 GLU B 543 48.570 32.379 13.003 1.00 0.00 H new ATOM 0 HG3 GLU B 543 48.912 32.028 11.321 1.00 0.00 H new ATOM 1587 N ARG B 544 50.580 33.898 9.957 1.00 0.00 N ATOM 1588 CA ARG B 544 50.625 33.921 8.467 1.00 0.00 C ATOM 1589 C ARG B 544 52.082 33.932 7.998 1.00 0.00 C ATOM 1590 O ARG B 544 52.371 33.716 6.838 1.00 0.00 O ATOM 1591 CB ARG B 544 49.918 35.177 7.950 1.00 0.00 C ATOM 1592 CG ARG B 544 48.544 35.315 8.616 1.00 0.00 C ATOM 1593 CD ARG B 544 47.661 34.121 8.243 1.00 0.00 C ATOM 1594 NE ARG B 544 46.233 34.467 8.491 1.00 0.00 N ATOM 1595 CZ ARG B 544 45.284 33.734 7.975 1.00 0.00 C ATOM 1596 NH1 ARG B 544 44.033 34.035 8.197 1.00 0.00 N ATOM 1597 NH2 ARG B 544 45.584 32.701 7.237 1.00 0.00 N ATOM 0 H ARG B 544 49.979 34.603 10.384 1.00 0.00 H new ATOM 0 HA ARG B 544 50.123 33.035 8.079 1.00 0.00 H new ATOM 0 HB2 ARG B 544 50.524 36.058 8.161 1.00 0.00 H new ATOM 0 HB3 ARG B 544 49.803 35.120 6.868 1.00 0.00 H new ATOM 0 HG2 ARG B 544 48.659 35.369 9.699 1.00 0.00 H new ATOM 0 HG3 ARG B 544 48.068 36.243 8.299 1.00 0.00 H new ATOM 0 HD2 ARG B 544 47.807 33.860 7.195 1.00 0.00 H new ATOM 0 HD3 ARG B 544 47.943 33.248 8.831 1.00 0.00 H new ATOM 0 HE ARG B 544 45.997 35.277 9.064 1.00 0.00 H new ATOM 0 HH11 ARG B 544 43.797 34.843 8.774 1.00 0.00 H new ATOM 0 HH12 ARG B 544 43.291 33.462 7.794 1.00 0.00 H new ATOM 0 HH21 ARG B 544 46.561 32.465 7.063 1.00 0.00 H new ATOM 0 HH22 ARG B 544 44.842 32.129 6.834 1.00 0.00 H new ATOM 1611 N ARG B 545 53.003 34.191 8.887 1.00 0.00 N ATOM 1612 CA ARG B 545 54.434 34.225 8.491 1.00 0.00 C ATOM 1613 C ARG B 545 54.894 32.826 8.090 1.00 0.00 C ATOM 1614 O ARG B 545 54.967 32.495 6.923 1.00 0.00 O ATOM 1615 CB ARG B 545 55.254 34.713 9.686 1.00 0.00 C ATOM 1616 CG ARG B 545 54.769 36.114 10.116 1.00 0.00 C ATOM 1617 CD ARG B 545 54.938 36.287 11.626 1.00 0.00 C ATOM 1618 NE ARG B 545 56.370 36.108 11.995 1.00 0.00 N ATOM 1619 CZ ARG B 545 56.799 36.518 13.158 1.00 0.00 C ATOM 1620 NH1 ARG B 545 58.052 36.358 13.483 1.00 0.00 N ATOM 1621 NH2 ARG B 545 55.975 37.089 13.993 1.00 0.00 N ATOM 0 H ARG B 545 52.822 34.381 9.873 1.00 0.00 H new ATOM 0 HA ARG B 545 54.570 34.895 7.642 1.00 0.00 H new ATOM 0 HB2 ARG B 545 55.156 34.013 10.516 1.00 0.00 H new ATOM 0 HB3 ARG B 545 56.311 34.749 9.423 1.00 0.00 H new ATOM 0 HG2 ARG B 545 55.335 36.881 9.588 1.00 0.00 H new ATOM 0 HG3 ARG B 545 53.722 36.245 9.842 1.00 0.00 H new ATOM 0 HD2 ARG B 545 54.595 37.276 11.929 1.00 0.00 H new ATOM 0 HD3 ARG B 545 54.322 35.560 12.156 1.00 0.00 H new ATOM 0 HE ARG B 545 57.015 35.666 11.340 1.00 0.00 H new ATOM 0 HH11 ARG B 545 58.696 35.913 12.829 1.00 0.00 H new ATOM 0 HH12 ARG B 545 58.388 36.678 14.391 1.00 0.00 H new ATOM 0 HH21 ARG B 545 54.996 37.215 13.737 1.00 0.00 H new ATOM 0 HH22 ARG B 545 56.310 37.409 14.902 1.00 0.00 H new ATOM 1635 N GLY B 546 55.212 32.001 9.050 1.00 0.00 N ATOM 1636 CA GLY B 546 55.678 30.617 8.726 1.00 0.00 C ATOM 1637 C GLY B 546 55.280 29.650 9.844 1.00 0.00 C ATOM 1638 O GLY B 546 54.121 29.325 10.014 1.00 0.00 O ATOM 0 H GLY B 546 55.170 32.223 10.045 1.00 0.00 H new ATOM 0 HA2 GLY B 546 55.243 30.291 7.781 1.00 0.00 H new ATOM 0 HA3 GLY B 546 56.760 30.611 8.598 1.00 0.00 H new ATOM 1642 N SER B 547 56.235 29.180 10.601 1.00 0.00 N ATOM 1643 CA SER B 547 55.924 28.226 11.702 1.00 0.00 C ATOM 1644 C SER B 547 57.154 28.123 12.600 1.00 0.00 C ATOM 1645 O SER B 547 58.209 27.736 12.162 1.00 0.00 O ATOM 1646 CB SER B 547 55.599 26.853 11.106 1.00 0.00 C ATOM 1647 OG SER B 547 54.204 26.776 10.839 1.00 0.00 O ATOM 0 H SER B 547 57.222 29.418 10.503 1.00 0.00 H new ATOM 0 HA SER B 547 55.066 28.572 12.279 1.00 0.00 H new ATOM 0 HB2 SER B 547 56.166 26.699 10.188 1.00 0.00 H new ATOM 0 HB3 SER B 547 55.893 26.064 11.798 1.00 0.00 H new ATOM 0 HG SER B 547 53.869 27.663 10.593 1.00 0.00 H new ATOM 1653 N LEU B 548 57.040 28.483 13.841 1.00 0.00 N ATOM 1654 CA LEU B 548 58.226 28.420 14.734 1.00 0.00 C ATOM 1655 C LEU B 548 58.765 26.995 14.813 1.00 0.00 C ATOM 1656 O LEU B 548 58.026 26.056 14.995 1.00 0.00 O ATOM 1657 CB LEU B 548 57.830 28.917 16.144 1.00 0.00 C ATOM 1658 CG LEU B 548 58.258 30.386 16.328 1.00 0.00 C ATOM 1659 CD1 LEU B 548 57.390 31.299 15.458 1.00 0.00 C ATOM 1660 CD2 LEU B 548 58.110 30.794 17.791 1.00 0.00 C ATOM 0 H LEU B 548 56.181 28.818 14.277 1.00 0.00 H new ATOM 0 HA LEU B 548 59.011 29.058 14.328 1.00 0.00 H new ATOM 0 HB2 LEU B 548 56.753 28.824 16.281 1.00 0.00 H new ATOM 0 HB3 LEU B 548 58.303 28.295 16.904 1.00 0.00 H new ATOM 0 HG LEU B 548 59.301 30.485 16.028 1.00 0.00 H new ATOM 0 HD11 LEU B 548 57.700 32.335 15.595 1.00 0.00 H new ATOM 0 HD12 LEU B 548 57.506 31.021 14.410 1.00 0.00 H new ATOM 0 HD13 LEU B 548 56.345 31.192 15.748 1.00 0.00 H new ATOM 0 HD21 LEU B 548 58.415 31.834 17.911 1.00 0.00 H new ATOM 0 HD22 LEU B 548 57.069 30.683 18.096 1.00 0.00 H new ATOM 0 HD23 LEU B 548 58.740 30.157 18.412 1.00 0.00 H new ATOM 1672 N CYS B 549 60.064 26.841 14.725 1.00 0.00 N ATOM 1673 CA CYS B 549 60.657 25.486 14.833 1.00 0.00 C ATOM 1674 C CYS B 549 60.798 25.212 16.321 1.00 0.00 C ATOM 1675 O CYS B 549 61.654 25.751 16.992 1.00 0.00 O ATOM 1676 CB CYS B 549 62.037 25.501 14.152 1.00 0.00 C ATOM 1677 SG CYS B 549 63.118 24.185 14.797 1.00 0.00 S ATOM 0 H CYS B 549 60.732 27.598 14.583 1.00 0.00 H new ATOM 0 HA CYS B 549 60.048 24.719 14.354 1.00 0.00 H new ATOM 0 HB2 CYS B 549 61.914 25.377 13.076 1.00 0.00 H new ATOM 0 HB3 CYS B 549 62.510 26.470 14.309 1.00 0.00 H new ATOM 1682 N SER B 550 59.927 24.404 16.846 1.00 0.00 N ATOM 1683 CA SER B 550 59.961 24.121 18.303 1.00 0.00 C ATOM 1684 C SER B 550 61.359 23.700 18.708 1.00 0.00 C ATOM 1685 O SER B 550 61.972 22.834 18.115 1.00 0.00 O ATOM 1686 CB SER B 550 58.930 23.060 18.672 1.00 0.00 C ATOM 1687 OG SER B 550 59.151 22.637 20.012 1.00 0.00 O ATOM 0 H SER B 550 59.190 23.925 16.328 1.00 0.00 H new ATOM 0 HA SER B 550 59.702 25.028 18.850 1.00 0.00 H new ATOM 0 HB2 SER B 550 57.923 23.463 18.567 1.00 0.00 H new ATOM 0 HB3 SER B 550 59.006 22.211 17.993 1.00 0.00 H new ATOM 0 HG SER B 550 58.307 22.671 20.509 1.00 0.00 H new ATOM 1693 N GLY B 551 61.876 24.364 19.696 1.00 0.00 N ATOM 1694 CA GLY B 551 63.264 24.100 20.168 1.00 0.00 C ATOM 1695 C GLY B 551 64.083 25.310 19.766 1.00 0.00 C ATOM 1696 O GLY B 551 64.981 25.746 20.459 1.00 0.00 O ATOM 0 H GLY B 551 61.386 25.096 20.210 1.00 0.00 H new ATOM 0 HA2 GLY B 551 63.287 23.955 21.248 1.00 0.00 H new ATOM 0 HA3 GLY B 551 63.663 23.192 19.716 1.00 0.00 H new ATOM 1700 N CYS B 552 63.735 25.872 18.644 1.00 0.00 N ATOM 1701 CA CYS B 552 64.416 27.083 18.140 1.00 0.00 C ATOM 1702 C CYS B 552 63.463 28.255 18.346 1.00 0.00 C ATOM 1703 O CYS B 552 63.858 29.365 18.636 1.00 0.00 O ATOM 1704 CB CYS B 552 64.654 26.906 16.641 1.00 0.00 C ATOM 1705 SG CYS B 552 66.176 25.975 16.353 1.00 0.00 S ATOM 0 H CYS B 552 62.986 25.529 18.043 1.00 0.00 H new ATOM 0 HA CYS B 552 65.362 27.252 18.654 1.00 0.00 H new ATOM 0 HB2 CYS B 552 63.810 26.384 16.191 1.00 0.00 H new ATOM 0 HB3 CYS B 552 64.719 27.881 16.159 1.00 0.00 H new ATOM 1710 N GLN B 553 62.200 27.991 18.171 1.00 0.00 N ATOM 1711 CA GLN B 553 61.169 29.042 18.309 1.00 0.00 C ATOM 1712 C GLN B 553 61.485 30.201 17.384 1.00 0.00 C ATOM 1713 O GLN B 553 61.573 31.346 17.776 1.00 0.00 O ATOM 1714 CB GLN B 553 61.044 29.499 19.748 1.00 0.00 C ATOM 1715 CG GLN B 553 60.512 28.331 20.578 1.00 0.00 C ATOM 1716 CD GLN B 553 59.070 27.994 20.186 1.00 0.00 C ATOM 1717 OE1 GLN B 553 58.131 28.439 20.815 1.00 0.00 O ATOM 1718 NE2 GLN B 553 58.865 27.216 19.160 1.00 0.00 N ATOM 0 H GLN B 553 61.836 27.068 17.933 1.00 0.00 H new ATOM 0 HA GLN B 553 60.204 28.625 18.020 1.00 0.00 H new ATOM 0 HB2 GLN B 553 62.012 29.825 20.128 1.00 0.00 H new ATOM 0 HB3 GLN B 553 60.370 30.353 19.818 1.00 0.00 H new ATOM 0 HG2 GLN B 553 61.147 27.457 20.432 1.00 0.00 H new ATOM 0 HG3 GLN B 553 60.556 28.583 21.638 1.00 0.00 H new ATOM 0 HE21 GLN B 553 59.657 26.845 18.635 1.00 0.00 H new ATOM 0 HE22 GLN B 553 57.913 26.979 18.882 1.00 0.00 H new ATOM 1727 N LYS B 554 61.603 29.874 16.137 1.00 0.00 N ATOM 1728 CA LYS B 554 61.865 30.883 15.064 1.00 0.00 C ATOM 1729 C LYS B 554 61.016 30.472 13.842 1.00 0.00 C ATOM 1730 O LYS B 554 61.125 29.348 13.391 1.00 0.00 O ATOM 1731 CB LYS B 554 63.344 30.866 14.665 1.00 0.00 C ATOM 1732 CG LYS B 554 64.226 31.240 15.862 1.00 0.00 C ATOM 1733 CD LYS B 554 64.016 32.714 16.242 1.00 0.00 C ATOM 1734 CE LYS B 554 65.223 33.222 17.040 1.00 0.00 C ATOM 1735 NZ LYS B 554 65.703 32.148 17.955 1.00 0.00 N ATOM 0 H LYS B 554 61.527 28.916 15.796 1.00 0.00 H new ATOM 0 HA LYS B 554 61.612 31.883 15.416 1.00 0.00 H new ATOM 0 HB2 LYS B 554 63.617 29.876 14.299 1.00 0.00 H new ATOM 0 HB3 LYS B 554 63.514 31.566 13.847 1.00 0.00 H new ATOM 0 HG2 LYS B 554 63.987 30.601 16.712 1.00 0.00 H new ATOM 0 HG3 LYS B 554 65.274 31.066 15.618 1.00 0.00 H new ATOM 0 HD2 LYS B 554 63.884 33.316 15.343 1.00 0.00 H new ATOM 0 HD3 LYS B 554 63.107 32.821 16.833 1.00 0.00 H new ATOM 0 HE2 LYS B 554 66.022 33.520 16.361 1.00 0.00 H new ATOM 0 HE3 LYS B 554 64.947 34.106 17.614 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 66.245 32.573 18.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 64.888 31.631 18.341 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 66.312 31.490 17.428 1.00 0.00 H new ATOM 1749 N PRO B 555 60.158 31.319 13.308 1.00 0.00 N ATOM 1750 CA PRO B 555 59.307 30.914 12.150 1.00 0.00 C ATOM 1751 C PRO B 555 60.041 30.144 11.051 1.00 0.00 C ATOM 1752 O PRO B 555 61.120 30.497 10.618 1.00 0.00 O ATOM 1753 CB PRO B 555 58.801 32.261 11.635 1.00 0.00 C ATOM 1754 CG PRO B 555 58.912 33.262 12.797 1.00 0.00 C ATOM 1755 CD PRO B 555 59.947 32.709 13.800 1.00 0.00 C ATOM 0 HA PRO B 555 58.530 30.212 12.453 1.00 0.00 H new ATOM 0 HB2 PRO B 555 59.393 32.594 10.782 1.00 0.00 H new ATOM 0 HB3 PRO B 555 57.769 32.180 11.294 1.00 0.00 H new ATOM 0 HG2 PRO B 555 59.221 34.241 12.430 1.00 0.00 H new ATOM 0 HG3 PRO B 555 57.944 33.394 13.281 1.00 0.00 H new ATOM 0 HD2 PRO B 555 60.871 33.288 13.791 1.00 0.00 H new ATOM 0 HD3 PRO B 555 59.570 32.725 14.823 1.00 0.00 H new ATOM 1763 N ILE B 556 59.416 29.094 10.599 1.00 0.00 N ATOM 1764 CA ILE B 556 59.982 28.251 9.517 1.00 0.00 C ATOM 1765 C ILE B 556 59.410 28.749 8.189 1.00 0.00 C ATOM 1766 O ILE B 556 58.284 28.450 7.841 1.00 0.00 O ATOM 1767 CB ILE B 556 59.546 26.805 9.763 1.00 0.00 C ATOM 1768 CG1 ILE B 556 60.240 26.253 11.030 1.00 0.00 C ATOM 1769 CG2 ILE B 556 59.924 25.950 8.560 1.00 0.00 C ATOM 1770 CD1 ILE B 556 59.416 25.099 11.637 1.00 0.00 C ATOM 0 H ILE B 556 58.510 28.779 10.947 1.00 0.00 H new ATOM 0 HA ILE B 556 61.070 28.305 9.494 1.00 0.00 H new ATOM 0 HB ILE B 556 58.466 26.775 9.907 1.00 0.00 H new ATOM 0 HG12 ILE B 556 61.241 25.901 10.780 1.00 0.00 H new ATOM 0 HG13 ILE B 556 60.357 27.050 11.764 1.00 0.00 H new ATOM 0 HG21 ILE B 556 59.614 24.920 8.734 1.00 0.00 H new ATOM 0 HG22 ILE B 556 59.425 26.334 7.670 1.00 0.00 H new ATOM 0 HG23 ILE B 556 61.004 25.984 8.414 1.00 0.00 H new ATOM 0 HD11 ILE B 556 59.919 24.722 12.528 1.00 0.00 H new ATOM 0 HD12 ILE B 556 58.424 25.462 11.906 1.00 0.00 H new ATOM 0 HD13 ILE B 556 59.322 24.296 10.906 1.00 0.00 H new ATOM 1782 N THR B 557 60.157 29.540 7.465 1.00 0.00 N ATOM 1783 CA THR B 557 59.642 30.103 6.177 1.00 0.00 C ATOM 1784 C THR B 557 60.191 29.331 4.976 1.00 0.00 C ATOM 1785 O THR B 557 61.241 29.633 4.444 1.00 0.00 O ATOM 1786 CB THR B 557 60.056 31.568 6.095 1.00 0.00 C ATOM 1787 OG1 THR B 557 61.475 31.663 6.106 1.00 0.00 O ATOM 1788 CG2 THR B 557 59.478 32.308 7.303 1.00 0.00 C ATOM 0 H THR B 557 61.106 29.823 7.709 1.00 0.00 H new ATOM 0 HA THR B 557 58.556 30.014 6.153 1.00 0.00 H new ATOM 0 HB THR B 557 59.679 32.012 5.174 1.00 0.00 H new ATOM 0 HG1 THR B 557 61.857 30.916 5.600 1.00 0.00 H new ATOM 0 HG21 THR B 557 59.766 33.358 7.258 1.00 0.00 H new ATOM 0 HG22 THR B 557 58.391 32.229 7.292 1.00 0.00 H new ATOM 0 HG23 THR B 557 59.865 31.865 8.221 1.00 0.00 H new ATOM 1796 N GLY B 558 59.466 28.336 4.551 1.00 0.00 N ATOM 1797 CA GLY B 558 59.885 27.512 3.386 1.00 0.00 C ATOM 1798 C GLY B 558 59.227 26.146 3.536 1.00 0.00 C ATOM 1799 O GLY B 558 58.075 25.955 3.202 1.00 0.00 O ATOM 0 H GLY B 558 58.581 28.054 4.972 1.00 0.00 H new ATOM 0 HA2 GLY B 558 59.581 27.984 2.452 1.00 0.00 H new ATOM 0 HA3 GLY B 558 60.970 27.414 3.355 1.00 0.00 H new ATOM 1803 N ARG B 559 59.949 25.208 4.075 1.00 0.00 N ATOM 1804 CA ARG B 559 59.402 23.846 4.314 1.00 0.00 C ATOM 1805 C ARG B 559 59.300 23.660 5.819 1.00 0.00 C ATOM 1806 O ARG B 559 60.038 24.266 6.568 1.00 0.00 O ATOM 1807 CB ARG B 559 60.371 22.806 3.722 1.00 0.00 C ATOM 1808 CG ARG B 559 60.007 22.524 2.256 1.00 0.00 C ATOM 1809 CD ARG B 559 58.921 21.441 2.194 1.00 0.00 C ATOM 1810 NE ARG B 559 58.611 21.102 0.763 1.00 0.00 N ATOM 1811 CZ ARG B 559 58.190 22.003 -0.085 1.00 0.00 C ATOM 1812 NH1 ARG B 559 58.045 21.688 -1.343 1.00 0.00 N ATOM 1813 NH2 ARG B 559 57.866 23.199 0.322 1.00 0.00 N ATOM 0 H ARG B 559 60.919 25.331 4.367 1.00 0.00 H new ATOM 0 HA ARG B 559 58.425 23.722 3.847 1.00 0.00 H new ATOM 0 HB2 ARG B 559 61.395 23.173 3.787 1.00 0.00 H new ATOM 0 HB3 ARG B 559 60.325 21.883 4.301 1.00 0.00 H new ATOM 0 HG2 ARG B 559 59.652 23.437 1.777 1.00 0.00 H new ATOM 0 HG3 ARG B 559 60.891 22.199 1.707 1.00 0.00 H new ATOM 0 HD2 ARG B 559 59.256 20.549 2.723 1.00 0.00 H new ATOM 0 HD3 ARG B 559 58.019 21.790 2.697 1.00 0.00 H new ATOM 0 HE ARG B 559 58.733 20.141 0.444 1.00 0.00 H new ATOM 0 HH11 ARG B 559 58.260 20.743 -1.660 1.00 0.00 H new ATOM 0 HH12 ARG B 559 57.717 22.387 -2.009 1.00 0.00 H new ATOM 0 HH21 ARG B 559 57.940 23.439 1.311 1.00 0.00 H new ATOM 0 HH22 ARG B 559 57.539 23.895 -0.348 1.00 0.00 H new ATOM 1827 N CYS B 560 58.401 22.837 6.283 1.00 0.00 N ATOM 1828 CA CYS B 560 58.288 22.639 7.757 1.00 0.00 C ATOM 1829 C CYS B 560 57.912 21.209 8.101 1.00 0.00 C ATOM 1830 O CYS B 560 56.919 20.675 7.647 1.00 0.00 O ATOM 1831 CB CYS B 560 57.247 23.594 8.338 1.00 0.00 C ATOM 1832 SG CYS B 560 55.669 23.368 7.479 1.00 0.00 S ATOM 0 H CYS B 560 57.747 22.299 5.715 1.00 0.00 H new ATOM 0 HA CYS B 560 59.264 22.850 8.193 1.00 0.00 H new ATOM 0 HB2 CYS B 560 57.122 23.407 9.405 1.00 0.00 H new ATOM 0 HB3 CYS B 560 57.586 24.625 8.233 1.00 0.00 H new ATOM 0 HG CYS B 560 55.517 22.114 7.174 1.00 0.00 H new ATOM 1838 N ILE B 561 58.701 20.604 8.941 1.00 0.00 N ATOM 1839 CA ILE B 561 58.420 19.223 9.384 1.00 0.00 C ATOM 1840 C ILE B 561 57.569 19.318 10.623 1.00 0.00 C ATOM 1841 O ILE B 561 57.708 20.224 11.419 1.00 0.00 O ATOM 1842 CB ILE B 561 59.737 18.532 9.718 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.531 18.449 8.431 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.510 17.115 10.278 1.00 0.00 C ATOM 1845 CD1 ILE B 561 61.839 17.710 8.680 1.00 0.00 C ATOM 0 H ILE B 561 59.541 21.019 9.343 1.00 0.00 H new ATOM 0 HA ILE B 561 57.908 18.653 8.608 1.00 0.00 H new ATOM 0 HB ILE B 561 60.266 19.098 10.484 1.00 0.00 H new ATOM 0 HG12 ILE B 561 59.950 17.932 7.667 1.00 0.00 H new ATOM 0 HG13 ILE B 561 60.735 19.451 8.053 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.472 16.655 10.504 1.00 0.00 H new ATOM 0 HG22 ILE B 561 58.913 17.175 11.188 1.00 0.00 H new ATOM 0 HG23 ILE B 561 58.984 16.511 9.538 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.407 17.653 7.751 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.422 18.245 9.430 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.625 16.703 9.037 1.00 0.00 H new ATOM 1857 N THR B 562 56.690 18.386 10.784 1.00 0.00 N ATOM 1858 CA THR B 562 55.792 18.380 11.976 1.00 0.00 C ATOM 1859 C THR B 562 56.011 17.105 12.760 1.00 0.00 C ATOM 1860 O THR B 562 56.316 16.061 12.217 1.00 0.00 O ATOM 1861 CB THR B 562 54.323 18.479 11.568 1.00 0.00 C ATOM 1862 OG1 THR B 562 54.167 19.502 10.594 1.00 0.00 O ATOM 1863 CG2 THR B 562 53.483 18.809 12.807 1.00 0.00 C ATOM 0 H THR B 562 56.546 17.612 10.136 1.00 0.00 H new ATOM 0 HA THR B 562 56.033 19.248 12.590 1.00 0.00 H new ATOM 0 HB THR B 562 53.992 17.531 11.143 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.225 19.563 10.332 1.00 0.00 H new ATOM 0 HG21 THR B 562 52.432 18.882 12.526 1.00 0.00 H new ATOM 0 HG22 THR B 562 53.606 18.021 13.550 1.00 0.00 H new ATOM 0 HG23 THR B 562 53.813 19.759 13.228 1.00 0.00 H new ATOM 1871 N ALA B 563 55.880 17.205 14.044 1.00 0.00 N ATOM 1872 CA ALA B 563 56.095 16.045 14.940 1.00 0.00 C ATOM 1873 C ALA B 563 54.842 15.810 15.773 1.00 0.00 C ATOM 1874 O ALA B 563 53.742 15.731 15.261 1.00 0.00 O ATOM 1875 CB ALA B 563 57.279 16.359 15.841 1.00 0.00 C ATOM 0 H ALA B 563 55.625 18.068 14.525 1.00 0.00 H new ATOM 0 HA ALA B 563 56.299 15.143 14.363 1.00 0.00 H new ATOM 0 HB1 ALA B 563 57.459 15.519 16.512 1.00 0.00 H new ATOM 0 HB2 ALA B 563 58.165 16.532 15.230 1.00 0.00 H new ATOM 0 HB3 ALA B 563 57.063 17.252 16.428 1.00 0.00 H new ATOM 1881 N MET B 564 55.005 15.698 17.055 1.00 0.00 N ATOM 1882 CA MET B 564 53.848 15.471 17.965 1.00 0.00 C ATOM 1883 C MET B 564 52.939 16.696 17.939 1.00 0.00 C ATOM 1884 O MET B 564 52.257 16.989 18.897 1.00 0.00 O ATOM 1885 CB MET B 564 54.384 15.272 19.378 1.00 0.00 C ATOM 1886 CG MET B 564 55.694 14.483 19.320 1.00 0.00 C ATOM 1887 SD MET B 564 56.069 13.815 20.959 1.00 0.00 S ATOM 1888 CE MET B 564 57.736 13.218 20.585 1.00 0.00 C ATOM 0 H MET B 564 55.909 15.755 17.524 1.00 0.00 H new ATOM 0 HA MET B 564 53.282 14.595 17.648 1.00 0.00 H new ATOM 0 HB2 MET B 564 54.550 16.238 19.855 1.00 0.00 H new ATOM 0 HB3 MET B 564 53.652 14.738 19.984 1.00 0.00 H new ATOM 0 HG2 MET B 564 55.611 13.673 18.596 1.00 0.00 H new ATOM 0 HG3 MET B 564 56.505 15.129 18.984 1.00 0.00 H new ATOM 0 HE1 MET B 564 58.166 12.758 21.475 1.00 0.00 H new ATOM 0 HE2 MET B 564 57.687 12.481 19.783 1.00 0.00 H new ATOM 0 HE3 MET B 564 58.360 14.055 20.271 1.00 0.00 H new ATOM 1898 N ALA B 565 52.992 17.402 16.848 1.00 0.00 N ATOM 1899 CA ALA B 565 52.222 18.662 16.619 1.00 0.00 C ATOM 1900 C ALA B 565 53.231 19.794 16.633 1.00 0.00 C ATOM 1901 O ALA B 565 52.933 20.922 16.295 1.00 0.00 O ATOM 1902 CB ALA B 565 51.154 18.924 17.683 1.00 0.00 C ATOM 0 H ALA B 565 53.576 17.140 16.054 1.00 0.00 H new ATOM 0 HA ALA B 565 51.689 18.580 15.672 1.00 0.00 H new ATOM 0 HB1 ALA B 565 50.634 19.854 17.455 1.00 0.00 H new ATOM 0 HB2 ALA B 565 50.439 18.101 17.691 1.00 0.00 H new ATOM 0 HB3 ALA B 565 51.627 19.004 18.662 1.00 0.00 H new ATOM 1908 N LYS B 566 54.445 19.487 17.008 1.00 0.00 N ATOM 1909 CA LYS B 566 55.499 20.530 17.028 1.00 0.00 C ATOM 1910 C LYS B 566 56.024 20.695 15.609 1.00 0.00 C ATOM 1911 O LYS B 566 55.879 19.819 14.789 1.00 0.00 O ATOM 1912 CB LYS B 566 56.644 20.079 17.946 1.00 0.00 C ATOM 1913 CG LYS B 566 56.448 20.643 19.356 1.00 0.00 C ATOM 1914 CD LYS B 566 57.337 19.873 20.347 1.00 0.00 C ATOM 1915 CE LYS B 566 56.591 18.633 20.866 1.00 0.00 C ATOM 1916 NZ LYS B 566 57.579 17.613 21.316 1.00 0.00 N ATOM 0 H LYS B 566 54.747 18.558 17.300 1.00 0.00 H new ATOM 0 HA LYS B 566 55.096 21.473 17.397 1.00 0.00 H new ATOM 0 HB2 LYS B 566 56.681 18.990 17.984 1.00 0.00 H new ATOM 0 HB3 LYS B 566 57.598 20.416 17.541 1.00 0.00 H new ATOM 0 HG2 LYS B 566 56.701 21.703 19.373 1.00 0.00 H new ATOM 0 HG3 LYS B 566 55.402 20.560 19.650 1.00 0.00 H new ATOM 0 HD2 LYS B 566 58.264 19.572 19.859 1.00 0.00 H new ATOM 0 HD3 LYS B 566 57.611 20.519 21.181 1.00 0.00 H new ATOM 0 HE2 LYS B 566 55.935 18.909 21.692 1.00 0.00 H new ATOM 0 HE3 LYS B 566 55.958 18.220 20.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 57.076 16.773 21.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 58.187 17.343 20.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 58.165 18.010 22.078 1.00 0.00 H new ATOM 1930 N LYS B 567 56.648 21.802 15.323 1.00 0.00 N ATOM 1931 CA LYS B 567 57.209 22.035 13.964 1.00 0.00 C ATOM 1932 C LYS B 567 58.717 21.835 14.051 1.00 0.00 C ATOM 1933 O LYS B 567 59.251 21.620 15.121 1.00 0.00 O ATOM 1934 CB LYS B 567 56.875 23.459 13.516 1.00 0.00 C ATOM 1935 CG LYS B 567 55.477 23.856 14.025 1.00 0.00 C ATOM 1936 CD LYS B 567 54.401 22.895 13.483 1.00 0.00 C ATOM 1937 CE LYS B 567 54.329 23.000 11.959 1.00 0.00 C ATOM 1938 NZ LYS B 567 53.017 22.475 11.489 1.00 0.00 N ATOM 0 H LYS B 567 56.795 22.566 15.983 1.00 0.00 H new ATOM 0 HA LYS B 567 56.785 21.344 13.236 1.00 0.00 H new ATOM 0 HB2 LYS B 567 57.622 24.154 13.899 1.00 0.00 H new ATOM 0 HB3 LYS B 567 56.907 23.524 12.428 1.00 0.00 H new ATOM 0 HG2 LYS B 567 55.465 23.844 15.115 1.00 0.00 H new ATOM 0 HG3 LYS B 567 55.249 24.876 13.715 1.00 0.00 H new ATOM 0 HD2 LYS B 567 54.635 21.871 13.775 1.00 0.00 H new ATOM 0 HD3 LYS B 567 53.432 23.137 13.919 1.00 0.00 H new ATOM 0 HE2 LYS B 567 54.450 24.038 11.649 1.00 0.00 H new ATOM 0 HE3 LYS B 567 55.143 22.435 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 52.657 23.077 10.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 53.137 21.503 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 52.339 22.478 12.278 1.00 0.00 H new ATOM 1952 N PHE B 568 59.422 21.883 12.958 1.00 0.00 N ATOM 1953 CA PHE B 568 60.893 21.667 13.057 1.00 0.00 C ATOM 1954 C PHE B 568 61.585 22.230 11.827 1.00 0.00 C ATOM 1955 O PHE B 568 61.200 21.959 10.708 1.00 0.00 O ATOM 1956 CB PHE B 568 61.177 20.143 13.151 1.00 0.00 C ATOM 1957 CG PHE B 568 61.519 19.752 14.577 1.00 0.00 C ATOM 1958 CD1 PHE B 568 60.584 19.062 15.360 1.00 0.00 C ATOM 1959 CD2 PHE B 568 62.770 20.083 15.111 1.00 0.00 C ATOM 1960 CE1 PHE B 568 60.902 18.704 16.676 1.00 0.00 C ATOM 1961 CE2 PHE B 568 63.087 19.724 16.427 1.00 0.00 C ATOM 1962 CZ PHE B 568 62.153 19.035 17.209 1.00 0.00 C ATOM 0 H PHE B 568 59.057 22.058 12.022 1.00 0.00 H new ATOM 0 HA PHE B 568 61.273 22.174 13.944 1.00 0.00 H new ATOM 0 HB2 PHE B 568 60.305 19.583 12.814 1.00 0.00 H new ATOM 0 HB3 PHE B 568 62.001 19.879 12.488 1.00 0.00 H new ATOM 0 HD1 PHE B 568 59.619 18.806 14.949 1.00 0.00 H new ATOM 0 HD2 PHE B 568 63.491 20.615 14.508 1.00 0.00 H new ATOM 0 HE1 PHE B 568 60.182 18.172 17.280 1.00 0.00 H new ATOM 0 HE2 PHE B 568 64.052 19.979 16.839 1.00 0.00 H new ATOM 0 HZ PHE B 568 62.398 18.759 18.224 1.00 0.00 H new ATOM 1972 N HIS B 569 62.645 22.960 12.022 1.00 0.00 N ATOM 1973 CA HIS B 569 63.395 23.475 10.853 1.00 0.00 C ATOM 1974 C HIS B 569 63.725 22.243 9.990 1.00 0.00 C ATOM 1975 O HIS B 569 64.455 21.382 10.438 1.00 0.00 O ATOM 1976 CB HIS B 569 64.707 24.104 11.331 1.00 0.00 C ATOM 1977 CG HIS B 569 64.512 25.540 11.717 1.00 0.00 C ATOM 1978 ND1 HIS B 569 64.770 25.983 13.001 1.00 0.00 N ATOM 1979 CD2 HIS B 569 64.144 26.649 10.998 1.00 0.00 C ATOM 1980 CE1 HIS B 569 64.567 27.311 13.017 1.00 0.00 C ATOM 1981 NE2 HIS B 569 64.181 27.769 11.822 1.00 0.00 N ATOM 0 H HIS B 569 63.020 23.219 12.934 1.00 0.00 H new ATOM 0 HA HIS B 569 62.822 24.223 10.304 1.00 0.00 H new ATOM 0 HB2 HIS B 569 65.092 23.545 12.184 1.00 0.00 H new ATOM 0 HB3 HIS B 569 65.455 24.036 10.541 1.00 0.00 H new ATOM 0 HD2 HIS B 569 63.868 26.652 9.954 1.00 0.00 H new ATOM 0 HE1 HIS B 569 64.700 27.933 13.890 1.00 0.00 H new ATOM 0 HE2 HIS B 569 63.961 28.732 11.569 1.00 0.00 H new ATOM 1988 N PRO B 570 63.198 22.110 8.797 1.00 0.00 N ATOM 1989 CA PRO B 570 63.502 20.905 7.989 1.00 0.00 C ATOM 1990 C PRO B 570 65.005 20.596 7.982 1.00 0.00 C ATOM 1991 O PRO B 570 65.434 19.552 7.537 1.00 0.00 O ATOM 1992 CB PRO B 570 62.982 21.314 6.606 1.00 0.00 C ATOM 1993 CG PRO B 570 61.957 22.435 6.828 1.00 0.00 C ATOM 1994 CD PRO B 570 62.293 23.108 8.165 1.00 0.00 C ATOM 0 HA PRO B 570 63.048 19.989 8.366 1.00 0.00 H new ATOM 0 HB2 PRO B 570 63.799 21.658 5.973 1.00 0.00 H new ATOM 0 HB3 PRO B 570 62.522 20.465 6.100 1.00 0.00 H new ATOM 0 HG2 PRO B 570 61.997 23.158 6.014 1.00 0.00 H new ATOM 0 HG3 PRO B 570 60.945 22.031 6.846 1.00 0.00 H new ATOM 0 HD2 PRO B 570 62.783 24.071 8.025 1.00 0.00 H new ATOM 0 HD3 PRO B 570 61.402 23.288 8.766 1.00 0.00 H new ATOM 2002 N GLU B 571 65.807 21.503 8.486 1.00 0.00 N ATOM 2003 CA GLU B 571 67.280 21.278 8.519 1.00 0.00 C ATOM 2004 C GLU B 571 67.705 20.787 9.909 1.00 0.00 C ATOM 2005 O GLU B 571 68.365 19.784 10.061 1.00 0.00 O ATOM 2006 CB GLU B 571 67.985 22.607 8.231 1.00 0.00 C ATOM 2007 CG GLU B 571 67.184 23.376 7.189 1.00 0.00 C ATOM 2008 CD GLU B 571 68.007 24.559 6.676 1.00 0.00 C ATOM 2009 OE1 GLU B 571 67.747 25.001 5.569 1.00 0.00 O ATOM 2010 OE2 GLU B 571 68.883 25.003 7.400 1.00 0.00 O ATOM 0 H GLU B 571 65.499 22.393 8.877 1.00 0.00 H new ATOM 0 HA GLU B 571 67.549 20.530 7.774 1.00 0.00 H new ATOM 0 HB2 GLU B 571 68.073 23.193 9.146 1.00 0.00 H new ATOM 0 HB3 GLU B 571 68.997 22.426 7.870 1.00 0.00 H new ATOM 0 HG2 GLU B 571 66.920 22.718 6.361 1.00 0.00 H new ATOM 0 HG3 GLU B 571 66.250 23.732 7.624 1.00 0.00 H new ATOM 2017 N HIS B 572 67.334 21.500 10.925 1.00 0.00 N ATOM 2018 CA HIS B 572 67.733 21.081 12.304 1.00 0.00 C ATOM 2019 C HIS B 572 67.243 19.663 12.577 1.00 0.00 C ATOM 2020 O HIS B 572 67.557 19.076 13.593 1.00 0.00 O ATOM 2021 CB HIS B 572 67.163 22.070 13.331 1.00 0.00 C ATOM 2022 CG HIS B 572 67.548 23.461 12.892 1.00 0.00 C ATOM 2023 ND1 HIS B 572 66.892 24.632 13.299 1.00 0.00 N ATOM 2024 CD2 HIS B 572 68.552 23.880 12.051 1.00 0.00 C ATOM 2025 CE1 HIS B 572 67.517 25.663 12.697 1.00 0.00 C ATOM 2026 NE2 HIS B 572 68.528 25.261 11.931 1.00 0.00 N ATOM 0 H HIS B 572 66.775 22.351 10.870 1.00 0.00 H new ATOM 0 HA HIS B 572 68.820 21.087 12.388 1.00 0.00 H new ATOM 0 HB2 HIS B 572 66.079 21.975 13.393 1.00 0.00 H new ATOM 0 HB3 HIS B 572 67.558 21.860 14.325 1.00 0.00 H new ATOM 0 HD2 HIS B 572 69.257 23.228 11.556 1.00 0.00 H new ATOM 0 HE1 HIS B 572 67.230 26.697 12.822 1.00 0.00 H new ATOM 0 HE2 HIS B 572 69.152 25.845 11.374 1.00 0.00 H new ATOM 2033 N PHE B 573 66.502 19.096 11.659 1.00 0.00 N ATOM 2034 CA PHE B 573 66.012 17.695 11.826 1.00 0.00 C ATOM 2035 C PHE B 573 66.444 16.902 10.594 1.00 0.00 C ATOM 2036 O PHE B 573 65.643 16.290 9.917 1.00 0.00 O ATOM 2037 CB PHE B 573 64.488 17.696 11.939 1.00 0.00 C ATOM 2038 CG PHE B 573 64.012 16.379 12.512 1.00 0.00 C ATOM 2039 CD1 PHE B 573 64.132 16.129 13.885 1.00 0.00 C ATOM 2040 CD2 PHE B 573 63.450 15.409 11.672 1.00 0.00 C ATOM 2041 CE1 PHE B 573 63.691 14.911 14.416 1.00 0.00 C ATOM 2042 CE2 PHE B 573 63.009 14.192 12.204 1.00 0.00 C ATOM 2043 CZ PHE B 573 63.129 13.942 13.576 1.00 0.00 C ATOM 0 H PHE B 573 66.213 19.549 10.792 1.00 0.00 H new ATOM 0 HA PHE B 573 66.425 17.246 12.729 1.00 0.00 H new ATOM 0 HB2 PHE B 573 64.163 18.518 12.576 1.00 0.00 H new ATOM 0 HB3 PHE B 573 64.042 17.858 10.958 1.00 0.00 H new ATOM 0 HD1 PHE B 573 64.565 16.876 14.534 1.00 0.00 H new ATOM 0 HD2 PHE B 573 63.357 15.600 10.613 1.00 0.00 H new ATOM 0 HE1 PHE B 573 63.784 14.719 15.475 1.00 0.00 H new ATOM 0 HE2 PHE B 573 62.576 13.445 11.555 1.00 0.00 H new ATOM 0 HZ PHE B 573 62.788 13.003 13.986 1.00 0.00 H new ATOM 2053 N VAL B 574 67.715 16.934 10.293 1.00 0.00 N ATOM 2054 CA VAL B 574 68.234 16.213 9.096 1.00 0.00 C ATOM 2055 C VAL B 574 68.710 14.812 9.480 1.00 0.00 C ATOM 2056 O VAL B 574 68.669 14.406 10.624 1.00 0.00 O ATOM 2057 CB VAL B 574 69.430 16.956 8.490 1.00 0.00 C ATOM 2058 CG1 VAL B 574 68.972 18.290 7.857 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.490 17.198 9.579 1.00 0.00 C ATOM 0 H VAL B 574 68.422 17.434 10.831 1.00 0.00 H new ATOM 0 HA VAL B 574 67.419 16.156 8.374 1.00 0.00 H new ATOM 0 HB VAL B 574 69.871 16.347 7.701 1.00 0.00 H new ATOM 0 HG11 VAL B 574 69.833 18.805 7.431 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.244 18.089 7.071 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.515 18.918 8.622 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.340 17.726 9.148 1.00 0.00 H new ATOM 0 HG22 VAL B 574 70.058 17.798 10.380 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.823 16.241 9.981 1.00 0.00 H new ATOM 2069 N CYS B 575 69.151 14.081 8.502 1.00 0.00 N ATOM 2070 CA CYS B 575 69.638 12.689 8.724 1.00 0.00 C ATOM 2071 C CYS B 575 71.069 12.735 9.229 1.00 0.00 C ATOM 2072 O CYS B 575 71.805 13.641 8.892 1.00 0.00 O ATOM 2073 CB CYS B 575 69.563 11.949 7.375 1.00 0.00 C ATOM 2074 SG CYS B 575 71.158 11.233 6.904 1.00 0.00 S ATOM 0 H CYS B 575 69.197 14.394 7.532 1.00 0.00 H new ATOM 0 HA CYS B 575 69.030 12.171 9.466 1.00 0.00 H new ATOM 0 HB2 CYS B 575 68.815 11.159 7.436 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.233 12.641 6.600 1.00 0.00 H new ATOM 2079 N ALA B 576 71.501 11.765 10.012 1.00 0.00 N ATOM 2080 CA ALA B 576 72.921 11.833 10.462 1.00 0.00 C ATOM 2081 C ALA B 576 73.807 10.969 9.545 1.00 0.00 C ATOM 2082 O ALA B 576 74.313 9.935 9.924 1.00 0.00 O ATOM 2083 CB ALA B 576 72.989 11.271 11.890 1.00 0.00 C ATOM 0 H ALA B 576 70.956 10.968 10.342 1.00 0.00 H new ATOM 0 HA ALA B 576 73.274 12.864 10.428 1.00 0.00 H new ATOM 0 HB1 ALA B 576 74.018 11.308 12.247 1.00 0.00 H new ATOM 0 HB2 ALA B 576 72.356 11.868 12.546 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.641 10.238 11.891 1.00 0.00 H new ATOM 2089 N PHE B 577 74.083 11.496 8.387 1.00 0.00 N ATOM 2090 CA PHE B 577 75.034 10.896 7.397 1.00 0.00 C ATOM 2091 C PHE B 577 75.524 12.108 6.640 1.00 0.00 C ATOM 2092 O PHE B 577 76.689 12.317 6.367 1.00 0.00 O ATOM 2093 CB PHE B 577 74.343 9.900 6.451 1.00 0.00 C ATOM 2094 CG PHE B 577 75.213 9.612 5.240 1.00 0.00 C ATOM 2095 CD1 PHE B 577 76.189 8.602 5.281 1.00 0.00 C ATOM 2096 CD2 PHE B 577 75.024 10.346 4.062 1.00 0.00 C ATOM 2097 CE1 PHE B 577 76.970 8.335 4.150 1.00 0.00 C ATOM 2098 CE2 PHE B 577 75.808 10.077 2.933 1.00 0.00 C ATOM 2099 CZ PHE B 577 76.780 9.073 2.977 1.00 0.00 C ATOM 0 H PHE B 577 73.665 12.369 8.065 1.00 0.00 H new ATOM 0 HA PHE B 577 75.826 10.317 7.872 1.00 0.00 H new ATOM 0 HB2 PHE B 577 74.134 8.972 6.983 1.00 0.00 H new ATOM 0 HB3 PHE B 577 73.384 10.305 6.127 1.00 0.00 H new ATOM 0 HD1 PHE B 577 76.337 8.031 6.186 1.00 0.00 H new ATOM 0 HD2 PHE B 577 74.272 11.121 4.024 1.00 0.00 H new ATOM 0 HE1 PHE B 577 77.720 7.558 4.183 1.00 0.00 H new ATOM 0 HE2 PHE B 577 75.661 10.646 2.027 1.00 0.00 H new ATOM 0 HZ PHE B 577 77.384 8.867 2.106 1.00 0.00 H new ATOM 2109 N CYS B 578 74.540 12.918 6.332 1.00 0.00 N ATOM 2110 CA CYS B 578 74.720 14.193 5.609 1.00 0.00 C ATOM 2111 C CYS B 578 73.829 15.225 6.311 1.00 0.00 C ATOM 2112 O CYS B 578 72.652 15.001 6.514 1.00 0.00 O ATOM 2113 CB CYS B 578 74.260 14.014 4.162 1.00 0.00 C ATOM 2114 SG CYS B 578 72.601 13.275 4.145 1.00 0.00 S ATOM 0 H CYS B 578 73.568 12.723 6.573 1.00 0.00 H new ATOM 0 HA CYS B 578 75.762 14.512 5.608 1.00 0.00 H new ATOM 0 HB2 CYS B 578 74.247 14.977 3.651 1.00 0.00 H new ATOM 0 HB3 CYS B 578 74.960 13.376 3.622 1.00 0.00 H new ATOM 2119 N LEU B 579 74.382 16.323 6.724 1.00 0.00 N ATOM 2120 CA LEU B 579 73.579 17.340 7.461 1.00 0.00 C ATOM 2121 C LEU B 579 72.660 18.143 6.514 1.00 0.00 C ATOM 2122 O LEU B 579 72.204 19.202 6.902 1.00 0.00 O ATOM 2123 CB LEU B 579 74.560 18.349 8.126 1.00 0.00 C ATOM 2124 CG LEU B 579 74.354 18.441 9.644 1.00 0.00 C ATOM 2125 CD1 LEU B 579 74.880 17.183 10.320 1.00 0.00 C ATOM 2126 CD2 LEU B 579 75.112 19.660 10.184 1.00 0.00 C ATOM 0 H LEU B 579 75.363 16.566 6.584 1.00 0.00 H new ATOM 0 HA LEU B 579 72.962 16.818 8.192 1.00 0.00 H new ATOM 0 HB2 LEU B 579 75.586 18.047 7.918 1.00 0.00 H new ATOM 0 HB3 LEU B 579 74.422 19.335 7.682 1.00 0.00 H new ATOM 0 HG LEU B 579 73.289 18.541 9.855 1.00 0.00 H new ATOM 0 HD11 LEU B 579 74.729 17.258 11.397 1.00 0.00 H new ATOM 0 HD12 LEU B 579 74.344 16.314 9.938 1.00 0.00 H new ATOM 0 HD13 LEU B 579 75.944 17.075 10.109 1.00 0.00 H new ATOM 0 HD21 LEU B 579 74.968 19.729 11.262 1.00 0.00 H new ATOM 0 HD22 LEU B 579 76.175 19.554 9.965 1.00 0.00 H new ATOM 0 HD23 LEU B 579 74.732 20.564 9.709 1.00 0.00 H new ATOM 2138 N LYS B 580 72.427 17.747 5.272 1.00 0.00 N ATOM 2139 CA LYS B 580 71.603 18.664 4.402 1.00 0.00 C ATOM 2140 C LYS B 580 70.088 18.390 4.411 1.00 0.00 C ATOM 2141 O LYS B 580 69.327 19.338 4.428 1.00 0.00 O ATOM 2142 CB LYS B 580 72.158 18.576 2.949 1.00 0.00 C ATOM 2143 CG LYS B 580 71.423 17.531 2.073 1.00 0.00 C ATOM 2144 CD LYS B 580 71.684 16.108 2.598 1.00 0.00 C ATOM 2145 CE LYS B 580 70.547 15.181 2.158 1.00 0.00 C ATOM 2146 NZ LYS B 580 70.289 15.368 0.703 1.00 0.00 N ATOM 0 H LYS B 580 72.751 16.880 4.844 1.00 0.00 H new ATOM 0 HA LYS B 580 71.700 19.666 4.819 1.00 0.00 H new ATOM 0 HB2 LYS B 580 72.078 19.555 2.477 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.218 18.326 2.987 1.00 0.00 H new ATOM 0 HG2 LYS B 580 70.352 17.735 2.075 1.00 0.00 H new ATOM 0 HG3 LYS B 580 71.761 17.611 1.040 1.00 0.00 H new ATOM 0 HD2 LYS B 580 72.636 15.738 2.217 1.00 0.00 H new ATOM 0 HD3 LYS B 580 71.758 16.119 3.685 1.00 0.00 H new ATOM 0 HE2 LYS B 580 70.810 14.143 2.361 1.00 0.00 H new ATOM 0 HE3 LYS B 580 69.644 15.398 2.729 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 69.813 14.525 0.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 69.682 16.201 0.562 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 71.191 15.509 0.206 1.00 0.00 H new ATOM 2160 N GLN B 581 69.592 17.170 4.417 1.00 0.00 N ATOM 2161 CA GLN B 581 68.094 17.055 4.442 1.00 0.00 C ATOM 2162 C GLN B 581 67.531 15.694 4.851 1.00 0.00 C ATOM 2163 O GLN B 581 67.985 14.649 4.429 1.00 0.00 O ATOM 2164 CB GLN B 581 67.520 17.460 3.088 1.00 0.00 C ATOM 2165 CG GLN B 581 66.019 17.745 3.224 1.00 0.00 C ATOM 2166 CD GLN B 581 65.805 19.075 3.944 1.00 0.00 C ATOM 2167 OE1 GLN B 581 65.531 20.080 3.318 1.00 0.00 O ATOM 2168 NE2 GLN B 581 65.918 19.126 5.240 1.00 0.00 N ATOM 0 H GLN B 581 70.121 16.298 4.406 1.00 0.00 H new ATOM 0 HA GLN B 581 67.781 17.736 5.233 1.00 0.00 H new ATOM 0 HB2 GLN B 581 68.035 18.345 2.714 1.00 0.00 H new ATOM 0 HB3 GLN B 581 67.684 16.665 2.361 1.00 0.00 H new ATOM 0 HG2 GLN B 581 65.555 17.777 2.238 1.00 0.00 H new ATOM 0 HG3 GLN B 581 65.536 16.940 3.778 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.148 18.283 5.765 1.00 0.00 H new ATOM 0 HE22 GLN B 581 65.777 20.009 5.730 1.00 0.00 H new ATOM 2177 N LEU B 582 66.458 15.742 5.592 1.00 0.00 N ATOM 2178 CA LEU B 582 65.709 14.516 5.978 1.00 0.00 C ATOM 2179 C LEU B 582 64.215 14.850 5.902 1.00 0.00 C ATOM 2180 O LEU B 582 63.841 15.997 5.770 1.00 0.00 O ATOM 2181 CB LEU B 582 66.082 14.121 7.392 1.00 0.00 C ATOM 2182 CG LEU B 582 65.609 12.696 7.730 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.238 11.658 6.766 1.00 0.00 C ATOM 2184 CD2 LEU B 582 65.995 12.387 9.192 1.00 0.00 C ATOM 0 H LEU B 582 66.059 16.608 5.956 1.00 0.00 H new ATOM 0 HA LEU B 582 65.948 13.685 5.314 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.163 14.184 7.514 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.641 14.827 8.095 1.00 0.00 H new ATOM 0 HG LEU B 582 64.527 12.633 7.611 1.00 0.00 H new ATOM 0 HD11 LEU B 582 65.887 10.660 7.027 1.00 0.00 H new ATOM 0 HD12 LEU B 582 65.946 11.889 5.742 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.324 11.694 6.850 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.667 11.380 9.450 1.00 0.00 H new ATOM 0 HD22 LEU B 582 67.077 12.457 9.305 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.514 13.106 9.855 1.00 0.00 H new ATOM 2196 N ASN B 583 63.361 13.869 5.979 1.00 0.00 N ATOM 2197 CA ASN B 583 61.891 14.144 5.903 1.00 0.00 C ATOM 2198 C ASN B 583 61.146 13.127 6.763 1.00 0.00 C ATOM 2199 O ASN B 583 61.414 11.945 6.718 1.00 0.00 O ATOM 2200 CB ASN B 583 61.418 14.022 4.445 1.00 0.00 C ATOM 2201 CG ASN B 583 61.697 15.316 3.687 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.062 16.316 4.270 1.00 0.00 O ATOM 2203 ND2 ASN B 583 61.530 15.335 2.398 1.00 0.00 N ATOM 0 H ASN B 583 63.613 12.887 6.091 1.00 0.00 H new ATOM 0 HA ASN B 583 61.689 15.152 6.265 1.00 0.00 H new ATOM 0 HB2 ASN B 583 61.928 13.191 3.959 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.351 13.800 4.419 1.00 0.00 H new ATOM 0 HD21 ASN B 583 61.706 16.192 1.874 1.00 0.00 H new ATOM 0 HD22 ASN B 583 61.223 14.493 1.911 1.00 0.00 H new ATOM 2210 N LYS B 584 60.205 13.582 7.538 1.00 0.00 N ATOM 2211 CA LYS B 584 59.435 12.656 8.400 1.00 0.00 C ATOM 2212 C LYS B 584 58.817 11.557 7.543 1.00 0.00 C ATOM 2213 O LYS B 584 58.341 10.554 8.036 1.00 0.00 O ATOM 2214 CB LYS B 584 58.320 13.441 9.076 1.00 0.00 C ATOM 2215 CG LYS B 584 57.533 14.247 8.013 1.00 0.00 C ATOM 2216 CD LYS B 584 56.073 14.380 8.442 1.00 0.00 C ATOM 2217 CE LYS B 584 55.996 15.048 9.815 1.00 0.00 C ATOM 2218 NZ LYS B 584 54.600 15.501 10.063 1.00 0.00 N ATOM 0 H LYS B 584 59.936 14.563 7.610 1.00 0.00 H new ATOM 0 HA LYS B 584 60.093 12.209 9.145 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.649 12.761 9.601 1.00 0.00 H new ATOM 0 HB3 LYS B 584 58.738 14.116 9.823 1.00 0.00 H new ATOM 0 HG2 LYS B 584 57.977 15.235 7.890 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.594 13.748 7.046 1.00 0.00 H new ATOM 0 HD2 LYS B 584 55.521 14.969 7.709 1.00 0.00 H new ATOM 0 HD3 LYS B 584 55.604 13.397 8.479 1.00 0.00 H new ATOM 0 HE2 LYS B 584 56.307 14.348 10.591 1.00 0.00 H new ATOM 0 HE3 LYS B 584 56.679 15.896 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 54.494 15.768 11.062 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 54.389 16.322 9.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 53.940 14.729 9.839 1.00 0.00 H new ATOM 2232 N GLY B 585 58.808 11.755 6.257 1.00 0.00 N ATOM 2233 CA GLY B 585 58.215 10.746 5.339 1.00 0.00 C ATOM 2234 C GLY B 585 59.321 9.849 4.819 1.00 0.00 C ATOM 2235 O GLY B 585 59.081 8.790 4.274 1.00 0.00 O ATOM 0 H GLY B 585 59.190 12.582 5.797 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.464 10.154 5.863 1.00 0.00 H new ATOM 0 HA3 GLY B 585 57.709 11.241 4.510 1.00 0.00 H new ATOM 2239 N THR B 586 60.538 10.274 4.991 1.00 0.00 N ATOM 2240 CA THR B 586 61.701 9.470 4.522 1.00 0.00 C ATOM 2241 C THR B 586 62.774 9.474 5.598 1.00 0.00 C ATOM 2242 O THR B 586 63.947 9.323 5.320 1.00 0.00 O ATOM 2243 CB THR B 586 62.257 10.082 3.239 1.00 0.00 C ATOM 2244 OG1 THR B 586 63.098 11.179 3.566 1.00 0.00 O ATOM 2245 CG2 THR B 586 61.092 10.564 2.375 1.00 0.00 C ATOM 0 H THR B 586 60.782 11.156 5.442 1.00 0.00 H new ATOM 0 HA THR B 586 61.386 8.445 4.324 1.00 0.00 H new ATOM 0 HB THR B 586 62.836 9.338 2.691 1.00 0.00 H new ATOM 0 HG1 THR B 586 63.457 11.572 2.743 1.00 0.00 H new ATOM 0 HG21 THR B 586 61.478 11.003 1.455 1.00 0.00 H new ATOM 0 HG22 THR B 586 60.447 9.720 2.131 1.00 0.00 H new ATOM 0 HG23 THR B 586 60.519 11.313 2.922 1.00 0.00 H new ATOM 2253 N PHE B 587 62.387 9.639 6.835 1.00 0.00 N ATOM 2254 CA PHE B 587 63.409 9.643 7.926 1.00 0.00 C ATOM 2255 C PHE B 587 63.636 8.209 8.407 1.00 0.00 C ATOM 2256 O PHE B 587 62.796 7.593 9.033 1.00 0.00 O ATOM 2257 CB PHE B 587 62.955 10.541 9.090 1.00 0.00 C ATOM 2258 CG PHE B 587 61.928 9.840 9.969 1.00 0.00 C ATOM 2259 CD1 PHE B 587 62.222 9.574 11.315 1.00 0.00 C ATOM 2260 CD2 PHE B 587 60.686 9.464 9.442 1.00 0.00 C ATOM 2261 CE1 PHE B 587 61.276 8.934 12.126 1.00 0.00 C ATOM 2262 CE2 PHE B 587 59.742 8.823 10.254 1.00 0.00 C ATOM 2263 CZ PHE B 587 60.037 8.559 11.595 1.00 0.00 C ATOM 0 H PHE B 587 61.421 9.770 7.136 1.00 0.00 H new ATOM 0 HA PHE B 587 64.346 10.045 7.541 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.819 10.822 9.692 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.528 11.463 8.695 1.00 0.00 H new ATOM 0 HD1 PHE B 587 63.178 9.863 11.726 1.00 0.00 H new ATOM 0 HD2 PHE B 587 60.456 9.669 8.407 1.00 0.00 H new ATOM 0 HE1 PHE B 587 61.503 8.730 13.162 1.00 0.00 H new ATOM 0 HE2 PHE B 587 58.786 8.533 9.844 1.00 0.00 H new ATOM 0 HZ PHE B 587 59.308 8.066 12.221 1.00 0.00 H new ATOM 2273 N LYS B 588 64.784 7.677 8.094 1.00 0.00 N ATOM 2274 CA LYS B 588 65.129 6.282 8.494 1.00 0.00 C ATOM 2275 C LYS B 588 66.021 6.359 9.734 1.00 0.00 C ATOM 2276 O LYS B 588 66.606 7.382 10.023 1.00 0.00 O ATOM 2277 CB LYS B 588 65.860 5.613 7.305 1.00 0.00 C ATOM 2278 CG LYS B 588 65.306 4.206 6.956 1.00 0.00 C ATOM 2279 CD LYS B 588 63.763 4.138 6.812 1.00 0.00 C ATOM 2280 CE LYS B 588 63.171 5.419 6.209 1.00 0.00 C ATOM 2281 NZ LYS B 588 61.910 5.080 5.491 1.00 0.00 N ATOM 0 H LYS B 588 65.513 8.159 7.567 1.00 0.00 H new ATOM 0 HA LYS B 588 64.247 5.690 8.736 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.777 6.256 6.429 1.00 0.00 H new ATOM 0 HB3 LYS B 588 66.921 5.530 7.540 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.760 3.872 6.023 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.617 3.505 7.731 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.497 3.288 6.183 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.318 3.962 7.791 1.00 0.00 H new ATOM 0 HE2 LYS B 588 62.972 6.148 6.995 1.00 0.00 H new ATOM 0 HE3 LYS B 588 63.884 5.876 5.523 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.502 5.943 5.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.115 4.398 4.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.232 4.662 6.159 1.00 0.00 H new ATOM 2295 N GLU B 589 66.106 5.302 10.486 1.00 0.00 N ATOM 2296 CA GLU B 589 66.939 5.346 11.723 1.00 0.00 C ATOM 2297 C GLU B 589 67.413 3.952 12.127 1.00 0.00 C ATOM 2298 O GLU B 589 66.811 2.941 11.825 1.00 0.00 O ATOM 2299 CB GLU B 589 66.111 5.970 12.865 1.00 0.00 C ATOM 2300 CG GLU B 589 66.684 5.597 14.243 1.00 0.00 C ATOM 2301 CD GLU B 589 66.040 6.478 15.315 1.00 0.00 C ATOM 2302 OE1 GLU B 589 65.478 5.928 16.248 1.00 0.00 O ATOM 2303 OE2 GLU B 589 66.120 7.689 15.185 1.00 0.00 O ATOM 0 H GLU B 589 65.640 4.413 10.303 1.00 0.00 H new ATOM 0 HA GLU B 589 67.823 5.952 11.525 1.00 0.00 H new ATOM 0 HB2 GLU B 589 66.098 7.054 12.756 1.00 0.00 H new ATOM 0 HB3 GLU B 589 65.078 5.630 12.795 1.00 0.00 H new ATOM 0 HG2 GLU B 589 66.492 4.546 14.457 1.00 0.00 H new ATOM 0 HG3 GLU B 589 67.766 5.731 14.248 1.00 0.00 H new ATOM 2310 N GLN B 590 68.472 3.939 12.869 1.00 0.00 N ATOM 2311 CA GLN B 590 69.042 2.692 13.411 1.00 0.00 C ATOM 2312 C GLN B 590 69.935 3.103 14.575 1.00 0.00 C ATOM 2313 O GLN B 590 70.533 4.161 14.568 1.00 0.00 O ATOM 2314 CB GLN B 590 69.835 1.929 12.348 1.00 0.00 C ATOM 2315 CG GLN B 590 71.049 2.731 11.907 1.00 0.00 C ATOM 2316 CD GLN B 590 71.799 1.964 10.817 1.00 0.00 C ATOM 2317 OE1 GLN B 590 72.893 2.332 10.440 1.00 0.00 O ATOM 2318 NE2 GLN B 590 71.249 0.903 10.290 1.00 0.00 N ATOM 0 H GLN B 590 68.986 4.780 13.132 1.00 0.00 H new ATOM 0 HA GLN B 590 68.254 2.014 13.739 1.00 0.00 H new ATOM 0 HB2 GLN B 590 70.154 0.966 12.746 1.00 0.00 H new ATOM 0 HB3 GLN B 590 69.197 1.723 11.489 1.00 0.00 H new ATOM 0 HG2 GLN B 590 70.737 3.706 11.532 1.00 0.00 H new ATOM 0 HG3 GLN B 590 71.707 2.912 12.757 1.00 0.00 H new ATOM 0 HE21 GLN B 590 70.330 0.594 10.607 1.00 0.00 H new ATOM 0 HE22 GLN B 590 71.739 0.383 9.562 1.00 0.00 H new ATOM 2327 N ASN B 591 70.010 2.300 15.578 1.00 0.00 N ATOM 2328 CA ASN B 591 70.838 2.654 16.761 1.00 0.00 C ATOM 2329 C ASN B 591 70.456 4.070 17.241 1.00 0.00 C ATOM 2330 O ASN B 591 71.223 4.721 17.916 1.00 0.00 O ATOM 2331 CB ASN B 591 72.357 2.573 16.424 1.00 0.00 C ATOM 2332 CG ASN B 591 72.575 2.118 14.985 1.00 0.00 C ATOM 2333 OD1 ASN B 591 73.438 2.626 14.297 1.00 0.00 O ATOM 2334 ND2 ASN B 591 71.829 1.171 14.504 1.00 0.00 N ATOM 0 H ASN B 591 69.531 1.401 15.639 1.00 0.00 H new ATOM 0 HA ASN B 591 70.644 1.939 17.560 1.00 0.00 H new ATOM 0 HB2 ASN B 591 72.819 3.549 16.574 1.00 0.00 H new ATOM 0 HB3 ASN B 591 72.848 1.879 17.107 1.00 0.00 H new ATOM 0 HD21 ASN B 591 71.966 0.851 13.545 1.00 0.00 H new ATOM 0 HD22 ASN B 591 71.106 0.747 15.085 1.00 0.00 H new ATOM 2341 N ASP B 592 69.258 4.524 16.915 1.00 0.00 N ATOM 2342 CA ASP B 592 68.768 5.878 17.367 1.00 0.00 C ATOM 2343 C ASP B 592 69.301 7.004 16.474 1.00 0.00 C ATOM 2344 O ASP B 592 68.928 8.149 16.628 1.00 0.00 O ATOM 2345 CB ASP B 592 69.211 6.151 18.809 1.00 0.00 C ATOM 2346 CG ASP B 592 69.135 4.863 19.633 1.00 0.00 C ATOM 2347 OD1 ASP B 592 68.083 4.244 19.631 1.00 0.00 O ATOM 2348 OD2 ASP B 592 70.129 4.517 20.249 1.00 0.00 O ATOM 0 H ASP B 592 68.590 4.005 16.346 1.00 0.00 H new ATOM 0 HA ASP B 592 67.680 5.860 17.301 1.00 0.00 H new ATOM 0 HB2 ASP B 592 70.230 6.539 18.818 1.00 0.00 H new ATOM 0 HB3 ASP B 592 68.575 6.916 19.255 1.00 0.00 H new ATOM 2353 N LYS B 593 70.179 6.706 15.572 1.00 0.00 N ATOM 2354 CA LYS B 593 70.750 7.765 14.701 1.00 0.00 C ATOM 2355 C LYS B 593 69.871 7.973 13.450 1.00 0.00 C ATOM 2356 O LYS B 593 69.762 7.078 12.636 1.00 0.00 O ATOM 2357 CB LYS B 593 72.119 7.284 14.258 1.00 0.00 C ATOM 2358 CG LYS B 593 73.030 7.060 15.480 1.00 0.00 C ATOM 2359 CD LYS B 593 74.488 7.338 15.093 1.00 0.00 C ATOM 2360 CE LYS B 593 75.399 7.153 16.311 1.00 0.00 C ATOM 2361 NZ LYS B 593 75.369 8.387 17.145 1.00 0.00 N ATOM 0 H LYS B 593 70.532 5.765 15.396 1.00 0.00 H new ATOM 0 HA LYS B 593 70.805 8.708 15.245 1.00 0.00 H new ATOM 0 HB2 LYS B 593 72.021 6.356 13.694 1.00 0.00 H new ATOM 0 HB3 LYS B 593 72.570 8.017 13.589 1.00 0.00 H new ATOM 0 HG2 LYS B 593 72.728 7.716 16.296 1.00 0.00 H new ATOM 0 HG3 LYS B 593 72.928 6.036 15.840 1.00 0.00 H new ATOM 0 HD2 LYS B 593 74.795 6.664 14.293 1.00 0.00 H new ATOM 0 HD3 LYS B 593 74.583 8.353 14.708 1.00 0.00 H new ATOM 0 HE2 LYS B 593 75.069 6.296 16.898 1.00 0.00 H new ATOM 0 HE3 LYS B 593 76.419 6.944 15.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 75.987 8.262 17.972 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 75.703 9.195 16.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 74.396 8.567 17.464 1.00 0.00 H new ATOM 2375 N PRO B 594 69.261 9.134 13.257 1.00 0.00 N ATOM 2376 CA PRO B 594 68.432 9.354 12.037 1.00 0.00 C ATOM 2377 C PRO B 594 69.203 9.035 10.748 1.00 0.00 C ATOM 2378 O PRO B 594 70.413 8.925 10.749 1.00 0.00 O ATOM 2379 CB PRO B 594 68.101 10.848 12.138 1.00 0.00 C ATOM 2380 CG PRO B 594 68.327 11.279 13.588 1.00 0.00 C ATOM 2381 CD PRO B 594 69.327 10.290 14.207 1.00 0.00 C ATOM 0 HA PRO B 594 67.554 8.709 11.991 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.734 11.426 11.464 1.00 0.00 H new ATOM 0 HB3 PRO B 594 67.068 11.032 11.841 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.716 12.296 13.630 1.00 0.00 H new ATOM 0 HG3 PRO B 594 67.388 11.273 14.142 1.00 0.00 H new ATOM 0 HD2 PRO B 594 70.331 10.710 14.267 1.00 0.00 H new ATOM 0 HD3 PRO B 594 69.041 10.002 15.219 1.00 0.00 H new ATOM 2389 N TYR B 595 68.510 8.885 9.653 1.00 0.00 N ATOM 2390 CA TYR B 595 69.206 8.569 8.368 1.00 0.00 C ATOM 2391 C TYR B 595 68.223 8.660 7.197 1.00 0.00 C ATOM 2392 O TYR B 595 67.122 8.152 7.269 1.00 0.00 O ATOM 2393 CB TYR B 595 69.707 7.117 8.389 1.00 0.00 C ATOM 2394 CG TYR B 595 71.017 6.960 9.131 1.00 0.00 C ATOM 2395 CD1 TYR B 595 71.080 6.146 10.266 1.00 0.00 C ATOM 2396 CD2 TYR B 595 72.179 7.569 8.647 1.00 0.00 C ATOM 2397 CE1 TYR B 595 72.301 5.944 10.919 1.00 0.00 C ATOM 2398 CE2 TYR B 595 73.400 7.372 9.310 1.00 0.00 C ATOM 2399 CZ TYR B 595 73.459 6.558 10.442 1.00 0.00 C ATOM 2400 OH TYR B 595 74.662 6.357 11.087 1.00 0.00 O ATOM 0 H TYR B 595 67.495 8.967 9.590 1.00 0.00 H new ATOM 0 HA TYR B 595 70.027 9.277 8.254 1.00 0.00 H new ATOM 0 HB2 TYR B 595 68.952 6.484 8.855 1.00 0.00 H new ATOM 0 HB3 TYR B 595 69.830 6.765 7.365 1.00 0.00 H new ATOM 0 HD1 TYR B 595 70.184 5.672 10.640 1.00 0.00 H new ATOM 0 HD2 TYR B 595 72.137 8.190 7.764 1.00 0.00 H new ATOM 0 HE1 TYR B 595 72.347 5.312 11.793 1.00 0.00 H new ATOM 0 HE2 TYR B 595 74.296 7.851 8.944 1.00 0.00 H new ATOM 0 HH TYR B 595 75.368 6.856 10.625 1.00 0.00 H new ATOM 2410 N CYS B 596 68.637 9.195 6.081 1.00 0.00 N ATOM 2411 CA CYS B 596 67.727 9.161 4.912 1.00 0.00 C ATOM 2412 C CYS B 596 67.692 7.696 4.533 1.00 0.00 C ATOM 2413 O CYS B 596 68.628 6.975 4.818 1.00 0.00 O ATOM 2414 CB CYS B 596 68.280 9.971 3.721 1.00 0.00 C ATOM 2415 SG CYS B 596 68.954 11.559 4.261 1.00 0.00 S ATOM 0 H CYS B 596 69.542 9.642 5.933 1.00 0.00 H new ATOM 0 HA CYS B 596 66.754 9.591 5.151 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.057 9.396 3.218 1.00 0.00 H new ATOM 0 HB3 CYS B 596 67.486 10.139 2.993 1.00 0.00 H new ATOM 2420 N GLN B 597 66.676 7.215 3.896 1.00 0.00 N ATOM 2421 CA GLN B 597 66.720 5.784 3.541 1.00 0.00 C ATOM 2422 C GLN B 597 67.963 5.603 2.665 1.00 0.00 C ATOM 2423 O GLN B 597 68.843 4.823 2.962 1.00 0.00 O ATOM 2424 CB GLN B 597 65.411 5.392 2.817 1.00 0.00 C ATOM 2425 CG GLN B 597 65.613 4.221 1.837 1.00 0.00 C ATOM 2426 CD GLN B 597 65.495 2.893 2.584 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.034 1.910 2.039 1.00 0.00 O ATOM 2428 NE2 GLN B 597 65.895 2.828 3.819 1.00 0.00 N ATOM 0 H GLN B 597 65.842 7.730 3.613 1.00 0.00 H new ATOM 0 HA GLN B 597 66.790 5.132 4.412 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.658 5.119 3.556 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.026 6.255 2.274 1.00 0.00 H new ATOM 0 HG2 GLN B 597 64.869 4.268 1.042 1.00 0.00 H new ATOM 0 HG3 GLN B 597 66.592 4.296 1.363 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.282 3.655 4.274 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.822 1.950 4.333 1.00 0.00 H new ATOM 2437 N ASN B 598 68.041 6.349 1.601 1.00 0.00 N ATOM 2438 CA ASN B 598 69.218 6.258 0.699 1.00 0.00 C ATOM 2439 C ASN B 598 70.500 6.269 1.532 1.00 0.00 C ATOM 2440 O ASN B 598 71.513 5.736 1.132 1.00 0.00 O ATOM 2441 CB ASN B 598 69.205 7.457 -0.258 1.00 0.00 C ATOM 2442 CG ASN B 598 67.766 7.811 -0.607 1.00 0.00 C ATOM 2443 OD1 ASN B 598 67.359 8.951 -0.505 1.00 0.00 O ATOM 2444 ND2 ASN B 598 66.979 6.868 -1.018 1.00 0.00 N ATOM 0 H ASN B 598 67.332 7.024 1.316 1.00 0.00 H new ATOM 0 HA ASN B 598 69.177 5.333 0.124 1.00 0.00 H new ATOM 0 HB2 ASN B 598 69.699 8.311 0.205 1.00 0.00 H new ATOM 0 HB3 ASN B 598 69.762 7.219 -1.164 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.011 7.080 -1.258 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.327 5.913 -1.101 1.00 0.00 H new ATOM 2451 N CYS B 599 70.460 6.867 2.692 1.00 0.00 N ATOM 2452 CA CYS B 599 71.667 6.903 3.556 1.00 0.00 C ATOM 2453 C CYS B 599 71.723 5.612 4.373 1.00 0.00 C ATOM 2454 O CYS B 599 72.658 4.852 4.266 1.00 0.00 O ATOM 2455 CB CYS B 599 71.592 8.111 4.498 1.00 0.00 C ATOM 2456 SG CYS B 599 72.083 9.607 3.605 1.00 0.00 S ATOM 0 H CYS B 599 69.638 7.333 3.077 1.00 0.00 H new ATOM 0 HA CYS B 599 72.563 6.991 2.941 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.579 8.222 4.884 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.245 7.957 5.357 1.00 0.00 H new ATOM 2461 N PHE B 600 70.721 5.359 5.179 1.00 0.00 N ATOM 2462 CA PHE B 600 70.708 4.115 6.006 1.00 0.00 C ATOM 2463 C PHE B 600 70.859 2.899 5.091 1.00 0.00 C ATOM 2464 O PHE B 600 71.732 2.076 5.280 1.00 0.00 O ATOM 2465 CB PHE B 600 69.376 4.047 6.793 1.00 0.00 C ATOM 2466 CG PHE B 600 68.939 2.612 7.026 1.00 0.00 C ATOM 2467 CD1 PHE B 600 69.315 1.943 8.197 1.00 0.00 C ATOM 2468 CD2 PHE B 600 68.156 1.958 6.067 1.00 0.00 C ATOM 2469 CE1 PHE B 600 68.908 0.620 8.409 1.00 0.00 C ATOM 2470 CE2 PHE B 600 67.750 0.635 6.279 1.00 0.00 C ATOM 2471 CZ PHE B 600 68.125 -0.034 7.449 1.00 0.00 C ATOM 0 H PHE B 600 69.909 5.964 5.299 1.00 0.00 H new ATOM 0 HA PHE B 600 71.536 4.122 6.714 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.492 4.553 7.751 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.600 4.580 6.243 1.00 0.00 H new ATOM 0 HD1 PHE B 600 69.919 2.447 8.937 1.00 0.00 H new ATOM 0 HD2 PHE B 600 67.865 2.474 5.164 1.00 0.00 H new ATOM 0 HE1 PHE B 600 69.198 0.104 9.312 1.00 0.00 H new ATOM 0 HE2 PHE B 600 67.147 0.130 5.539 1.00 0.00 H new ATOM 0 HZ PHE B 600 67.811 -1.054 7.612 1.00 0.00 H new ATOM 2481 N LEU B 601 70.012 2.772 4.109 1.00 0.00 N ATOM 2482 CA LEU B 601 70.110 1.603 3.195 1.00 0.00 C ATOM 2483 C LEU B 601 71.567 1.463 2.741 1.00 0.00 C ATOM 2484 O LEU B 601 72.107 0.378 2.684 1.00 0.00 O ATOM 2485 CB LEU B 601 69.120 1.811 2.013 1.00 0.00 C ATOM 2486 CG LEU B 601 69.829 2.058 0.660 1.00 0.00 C ATOM 2487 CD1 LEU B 601 70.549 0.774 0.173 1.00 0.00 C ATOM 2488 CD2 LEU B 601 68.780 2.482 -0.378 1.00 0.00 C ATOM 0 H LEU B 601 69.258 3.426 3.901 1.00 0.00 H new ATOM 0 HA LEU B 601 69.831 0.673 3.690 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.480 0.933 1.925 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.471 2.658 2.236 1.00 0.00 H new ATOM 0 HG LEU B 601 70.575 2.842 0.788 1.00 0.00 H new ATOM 0 HD11 LEU B 601 71.040 0.971 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU B 601 71.294 0.473 0.910 1.00 0.00 H new ATOM 0 HD13 LEU B 601 69.820 -0.026 0.046 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.268 2.659 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU B 601 68.038 1.691 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.289 3.397 -0.046 1.00 0.00 H new ATOM 2500 N LYS B 602 72.209 2.554 2.434 1.00 0.00 N ATOM 2501 CA LYS B 602 73.632 2.475 1.997 1.00 0.00 C ATOM 2502 C LYS B 602 74.433 1.682 3.041 1.00 0.00 C ATOM 2503 O LYS B 602 75.453 1.098 2.745 1.00 0.00 O ATOM 2504 CB LYS B 602 74.220 3.908 1.862 1.00 0.00 C ATOM 2505 CG LYS B 602 75.070 4.044 0.580 1.00 0.00 C ATOM 2506 CD LYS B 602 76.387 3.226 0.696 1.00 0.00 C ATOM 2507 CE LYS B 602 76.370 2.014 -0.246 1.00 0.00 C ATOM 2508 NZ LYS B 602 76.004 2.451 -1.623 1.00 0.00 N ATOM 0 H LYS B 602 71.814 3.494 2.466 1.00 0.00 H new ATOM 0 HA LYS B 602 73.692 1.975 1.030 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.409 4.636 1.843 1.00 0.00 H new ATOM 0 HB3 LYS B 602 74.833 4.136 2.734 1.00 0.00 H new ATOM 0 HG2 LYS B 602 74.497 3.697 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS B 602 75.304 5.094 0.404 1.00 0.00 H new ATOM 0 HD2 LYS B 602 77.237 3.864 0.457 1.00 0.00 H new ATOM 0 HD3 LYS B 602 76.520 2.889 1.724 1.00 0.00 H new ATOM 0 HE2 LYS B 602 77.349 1.535 -0.255 1.00 0.00 H new ATOM 0 HE3 LYS B 602 75.655 1.273 0.112 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 76.471 1.835 -2.318 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 74.973 2.390 -1.744 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 76.312 3.433 -1.769 1.00 0.00 H new ATOM 2522 N LEU B 603 73.992 1.692 4.269 1.00 0.00 N ATOM 2523 CA LEU B 603 74.740 0.983 5.353 1.00 0.00 C ATOM 2524 C LEU B 603 74.222 -0.450 5.541 1.00 0.00 C ATOM 2525 O LEU B 603 74.972 -1.403 5.462 1.00 0.00 O ATOM 2526 CB LEU B 603 74.565 1.769 6.665 1.00 0.00 C ATOM 2527 CG LEU B 603 74.455 3.268 6.366 1.00 0.00 C ATOM 2528 CD1 LEU B 603 74.332 4.040 7.676 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.703 3.747 5.617 1.00 0.00 C ATOM 0 H LEU B 603 73.140 2.163 4.573 1.00 0.00 H new ATOM 0 HA LEU B 603 75.793 0.926 5.076 1.00 0.00 H new ATOM 0 HB2 LEU B 603 73.671 1.427 7.187 1.00 0.00 H new ATOM 0 HB3 LEU B 603 75.411 1.583 7.326 1.00 0.00 H new ATOM 0 HG LEU B 603 73.574 3.442 5.748 1.00 0.00 H new ATOM 0 HD11 LEU B 603 74.254 5.106 7.464 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.441 3.710 8.211 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.213 3.856 8.291 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.616 4.813 5.409 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.586 3.568 6.230 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.796 3.201 4.678 1.00 0.00 H new ATOM 2541 N PHE B 604 72.952 -0.605 5.813 1.00 0.00 N ATOM 2542 CA PHE B 604 72.377 -1.971 6.039 1.00 0.00 C ATOM 2543 C PHE B 604 71.620 -2.438 4.784 1.00 0.00 C ATOM 2544 O PHE B 604 70.648 -3.161 4.874 1.00 0.00 O ATOM 2545 CB PHE B 604 71.422 -1.912 7.254 1.00 0.00 C ATOM 2546 CG PHE B 604 72.185 -2.200 8.535 1.00 0.00 C ATOM 2547 CD1 PHE B 604 73.006 -1.218 9.106 1.00 0.00 C ATOM 2548 CD2 PHE B 604 72.069 -3.454 9.150 1.00 0.00 C ATOM 2549 CE1 PHE B 604 73.708 -1.489 10.287 1.00 0.00 C ATOM 2550 CE2 PHE B 604 72.770 -3.724 10.332 1.00 0.00 C ATOM 2551 CZ PHE B 604 73.589 -2.742 10.899 1.00 0.00 C ATOM 0 H PHE B 604 72.282 0.160 5.889 1.00 0.00 H new ATOM 0 HA PHE B 604 73.178 -2.683 6.239 1.00 0.00 H new ATOM 0 HB2 PHE B 604 70.957 -0.928 7.313 1.00 0.00 H new ATOM 0 HB3 PHE B 604 70.618 -2.638 7.130 1.00 0.00 H new ATOM 0 HD1 PHE B 604 73.097 -0.251 8.634 1.00 0.00 H new ATOM 0 HD2 PHE B 604 71.438 -4.213 8.712 1.00 0.00 H new ATOM 0 HE1 PHE B 604 74.341 -0.732 10.725 1.00 0.00 H new ATOM 0 HE2 PHE B 604 72.678 -4.690 10.806 1.00 0.00 H new ATOM 0 HZ PHE B 604 74.130 -2.951 11.810 1.00 0.00 H new ATOM 2561 N CYS B 605 72.059 -2.036 3.616 1.00 0.00 N ATOM 2562 CA CYS B 605 71.362 -2.467 2.362 1.00 0.00 C ATOM 2563 C CYS B 605 71.033 -3.963 2.441 1.00 0.00 C ATOM 2564 O CYS B 605 69.948 -4.286 2.895 1.00 0.00 O ATOM 2565 CB CYS B 605 72.273 -2.216 1.153 1.00 0.00 C ATOM 2566 SG CYS B 605 71.601 -3.059 -0.302 1.00 0.00 S ATOM 2567 OXT CYS B 605 71.873 -4.756 2.050 1.00 0.00 O ATOM 0 H CYS B 605 72.867 -1.430 3.476 1.00 0.00 H new ATOM 0 HA CYS B 605 70.441 -1.895 2.252 1.00 0.00 H new ATOM 0 HB2 CYS B 605 72.352 -1.146 0.961 1.00 0.00 H new ATOM 0 HB3 CYS B 605 73.280 -2.578 1.362 1.00 0.00 H new ATOM 0 HG CYS B 605 71.560 -4.339 -0.081 1.00 0.00 H new TER 2573 CYS B 605 HETATM 2574 ZN ZN B 701 65.326 24.830 14.542 1.00 0.00 ZN HETATM 2575 ZN ZN B 702 71.227 11.484 4.623 1.00 0.00 ZN