USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=36 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= 0.0359 USER MOD Set 1.2: B 567 LYS NZ :NH3+ 143:sc= 0.0372 (180deg=0) USER MOD Set 2.1: A 75 THR OG1 : rot 167:sc= 0.371 USER MOD Set 2.2: A 76 HIS : no HD1:sc= -2.89! C(o=-2.5!,f=-2.5!) USER MOD Set 3.1: A 74 LYS NZ :NH3+ -109:sc= -2.6! (180deg=-1.6) USER MOD Set 3.2: A 81 LYS NZ :NH3+ 170:sc= -1.03 (180deg=-1.53!) USER MOD Set 4.1: A 45 MET CE :methyl 145:sc= -3.77! (180deg=-0.747) USER MOD Set 4.2: B 602 LYS NZ :NH3+ -153:sc= -3.29! (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.18 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 44:sc= 0.0598 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -2.37 X(o=-2.4,f=-2.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.692 USER MOD Single : A 28 ASN : amide:sc= -3.26! K(o=-3.3!,f=-1.6) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.778 USER MOD Single : A 40 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-8.6!) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= -0.0572 (180deg=-0.44) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -3.83! (180deg=-6.28!) USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= -0.0864 (180deg=-1.28) USER MOD Single : A 56 LYS NZ :NH3+ -108:sc= -1.57! (180deg=-3.39!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -9.35! C(o=-9.3!,f=-14!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0976 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -2.95! K(o=-3!,f=-1.6) USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.265) USER MOD Single : A 91 GLN : amide:sc= -7.78! C(o=-7.8!,f=-12!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.674 USER MOD Single : B 541 TYR OH : rot 180:sc= 0 USER MOD Single : B 542 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 547 SER OG : rot 33:sc= 0.827 USER MOD Single : B 550 SER OG : rot 140:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.34! K(o=-3.3!,f=-1.2) USER MOD Single : B 554 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 557 THR OG1 : rot 67:sc= 1.05 USER MOD Single : B 560 CYS SG : rot 32:sc= 0.305 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= -0.0566 (180deg=-0.852) USER MOD Single : B 581 GLN : amide:sc= -6.08! C(o=-6.1!,f=-2.6!) USER MOD Single : B 583 ASN : amide:sc= -1.93! C(o=-1.9!,f=-3.7!) USER MOD Single : B 584 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.784) USER MOD Single : B 586 THR OG1 : rot 67:sc= 0.547 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -3.65! C(o=-3.6!,f=-3.7!) USER MOD Single : B 591 ASN : amide:sc= -12.7! C(o=-13!,f=-6.9!) USER MOD Single : B 593 LYS NZ :NH3+ -156:sc= -0.113 (180deg=-0.651) USER MOD Single : B 595 TYR OH : rot 113:sc= -1.73! USER MOD Single : B 597 GLN : amide:sc= -3.97! K(o=-4!,f=-0.014) USER MOD Single : B 598 ASN : amide:sc= -0.515 X(o=-0.51,f=-0.43) USER MOD Single : B 605 CYS SG : rot 35:sc= -0.0571! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 87.262 -26.025 11.063 1.00 0.00 N ATOM 2 CA MET A 1 87.328 -25.372 9.725 1.00 0.00 C ATOM 3 C MET A 1 88.102 -26.274 8.756 1.00 0.00 C ATOM 4 O MET A 1 87.669 -27.363 8.435 1.00 0.00 O ATOM 5 CB MET A 1 88.027 -24.015 9.856 1.00 0.00 C ATOM 6 CG MET A 1 87.833 -23.213 8.568 1.00 0.00 C ATOM 7 SD MET A 1 88.997 -21.827 8.538 1.00 0.00 S ATOM 8 CE MET A 1 87.924 -20.611 9.341 1.00 0.00 C ATOM 0 H1 MET A 1 86.737 -25.415 11.722 1.00 0.00 H new ATOM 0 H2 MET A 1 86.777 -26.941 10.979 1.00 0.00 H new ATOM 0 H3 MET A 1 88.226 -26.176 11.424 1.00 0.00 H new ATOM 0 HA MET A 1 86.321 -25.217 9.339 1.00 0.00 H new ATOM 0 HB2 MET A 1 87.620 -23.465 10.704 1.00 0.00 H new ATOM 0 HB3 MET A 1 89.090 -24.159 10.050 1.00 0.00 H new ATOM 0 HG2 MET A 1 87.992 -23.854 7.701 1.00 0.00 H new ATOM 0 HG3 MET A 1 86.809 -22.843 8.508 1.00 0.00 H new ATOM 0 HE1 MET A 1 88.452 -19.661 9.427 1.00 0.00 H new ATOM 0 HE2 MET A 1 87.022 -20.472 8.745 1.00 0.00 H new ATOM 0 HE3 MET A 1 87.651 -20.966 10.335 1.00 0.00 H new ATOM 18 N ALA A 2 89.242 -25.838 8.286 1.00 0.00 N ATOM 19 CA ALA A 2 90.037 -26.675 7.341 1.00 0.00 C ATOM 20 C ALA A 2 91.514 -26.429 7.605 1.00 0.00 C ATOM 21 O ALA A 2 92.269 -27.331 7.908 1.00 0.00 O ATOM 22 CB ALA A 2 89.718 -26.261 5.908 1.00 0.00 C ATOM 0 H ALA A 2 89.657 -24.935 8.517 1.00 0.00 H new ATOM 0 HA ALA A 2 89.794 -27.728 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 2 90.298 -26.871 5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 2 88.655 -26.405 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 2 89.973 -25.211 5.767 1.00 0.00 H new ATOM 28 N LEU A 3 91.921 -25.201 7.500 1.00 0.00 N ATOM 29 CA LEU A 3 93.341 -24.853 7.750 1.00 0.00 C ATOM 30 C LEU A 3 93.786 -25.475 9.064 1.00 0.00 C ATOM 31 O LEU A 3 94.310 -26.570 9.112 1.00 0.00 O ATOM 32 CB LEU A 3 93.457 -23.340 7.875 1.00 0.00 C ATOM 33 CG LEU A 3 93.286 -22.687 6.501 1.00 0.00 C ATOM 34 CD1 LEU A 3 93.189 -21.171 6.683 1.00 0.00 C ATOM 35 CD2 LEU A 3 94.482 -23.033 5.589 1.00 0.00 C ATOM 0 H LEU A 3 91.323 -24.414 7.249 1.00 0.00 H new ATOM 0 HA LEU A 3 93.960 -25.221 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 3 92.699 -22.964 8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 3 94.427 -23.075 8.295 1.00 0.00 H new ATOM 0 HG LEU A 3 92.377 -23.063 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 3 93.067 -20.695 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 3 92.332 -20.934 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 3 94.099 -20.802 7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 3 94.346 -22.561 4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 3 95.403 -22.668 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 3 94.543 -24.114 5.463 1.00 0.00 H new ATOM 47 N ASP A 4 93.570 -24.762 10.131 1.00 0.00 N ATOM 48 CA ASP A 4 93.962 -25.261 11.475 1.00 0.00 C ATOM 49 C ASP A 4 95.358 -25.873 11.396 1.00 0.00 C ATOM 50 O ASP A 4 95.731 -26.723 12.180 1.00 0.00 O ATOM 51 CB ASP A 4 92.967 -26.323 11.910 1.00 0.00 C ATOM 52 CG ASP A 4 93.364 -26.881 13.278 1.00 0.00 C ATOM 53 OD1 ASP A 4 93.332 -28.091 13.434 1.00 0.00 O ATOM 54 OD2 ASP A 4 93.692 -26.090 14.146 1.00 0.00 O ATOM 0 H ASP A 4 93.132 -23.841 10.128 1.00 0.00 H new ATOM 0 HA ASP A 4 93.966 -24.441 12.193 1.00 0.00 H new ATOM 0 HB2 ASP A 4 91.965 -25.897 11.959 1.00 0.00 H new ATOM 0 HB3 ASP A 4 92.936 -27.127 11.175 1.00 0.00 H new ATOM 59 N GLY A 5 96.126 -25.435 10.449 1.00 0.00 N ATOM 60 CA GLY A 5 97.504 -25.968 10.293 1.00 0.00 C ATOM 61 C GLY A 5 98.305 -25.567 11.513 1.00 0.00 C ATOM 62 O GLY A 5 99.380 -26.072 11.775 1.00 0.00 O ATOM 0 H GLY A 5 95.859 -24.724 9.768 1.00 0.00 H new ATOM 0 HA2 GLY A 5 97.483 -27.053 10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 5 97.965 -25.572 9.388 1.00 0.00 H new ATOM 66 N ILE A 6 97.773 -24.640 12.251 1.00 0.00 N ATOM 67 CA ILE A 6 98.452 -24.131 13.475 1.00 0.00 C ATOM 68 C ILE A 6 97.644 -24.587 14.706 1.00 0.00 C ATOM 69 O ILE A 6 97.698 -25.739 15.089 1.00 0.00 O ATOM 70 CB ILE A 6 98.542 -22.581 13.387 1.00 0.00 C ATOM 71 CG1 ILE A 6 97.529 -22.050 12.350 1.00 0.00 C ATOM 72 CG2 ILE A 6 99.957 -22.146 12.991 1.00 0.00 C ATOM 73 CD1 ILE A 6 98.009 -22.291 10.904 1.00 0.00 C ATOM 0 H ILE A 6 96.873 -24.201 12.054 1.00 0.00 H new ATOM 0 HA ILE A 6 99.464 -24.525 13.563 1.00 0.00 H new ATOM 0 HB ILE A 6 98.307 -22.167 14.368 1.00 0.00 H new ATOM 0 HG12 ILE A 6 96.566 -22.539 12.499 1.00 0.00 H new ATOM 0 HG13 ILE A 6 97.373 -20.983 12.508 1.00 0.00 H new ATOM 0 HG21 ILE A 6 100.001 -21.058 12.934 1.00 0.00 H new ATOM 0 HG22 ILE A 6 100.669 -22.499 13.737 1.00 0.00 H new ATOM 0 HG23 ILE A 6 100.210 -22.570 12.019 1.00 0.00 H new ATOM 0 HD11 ILE A 6 97.268 -21.903 10.205 1.00 0.00 H new ATOM 0 HD12 ILE A 6 98.959 -21.780 10.746 1.00 0.00 H new ATOM 0 HD13 ILE A 6 98.140 -23.360 10.737 1.00 0.00 H new ATOM 85 N ARG A 7 96.903 -23.708 15.339 1.00 0.00 N ATOM 86 CA ARG A 7 96.122 -24.118 16.533 1.00 0.00 C ATOM 87 C ARG A 7 94.926 -23.179 16.721 1.00 0.00 C ATOM 88 O ARG A 7 93.906 -23.338 16.081 1.00 0.00 O ATOM 89 CB ARG A 7 97.024 -24.080 17.770 1.00 0.00 C ATOM 90 CG ARG A 7 97.855 -22.773 17.821 1.00 0.00 C ATOM 91 CD ARG A 7 99.263 -23.008 17.266 1.00 0.00 C ATOM 92 NE ARG A 7 100.074 -21.769 17.429 1.00 0.00 N ATOM 93 CZ ARG A 7 100.544 -21.448 18.603 1.00 0.00 C ATOM 94 NH1 ARG A 7 101.252 -20.361 18.748 1.00 0.00 N ATOM 95 NH2 ARG A 7 100.307 -22.214 19.632 1.00 0.00 N ATOM 0 H ARG A 7 96.810 -22.727 15.075 1.00 0.00 H new ATOM 0 HA ARG A 7 95.750 -25.133 16.393 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.414 -24.161 18.670 1.00 0.00 H new ATOM 0 HB3 ARG A 7 97.694 -24.940 17.761 1.00 0.00 H new ATOM 0 HG2 ARG A 7 97.356 -21.995 17.243 1.00 0.00 H new ATOM 0 HG3 ARG A 7 97.918 -22.416 18.849 1.00 0.00 H new ATOM 0 HD2 ARG A 7 99.738 -23.838 17.789 1.00 0.00 H new ATOM 0 HD3 ARG A 7 99.209 -23.284 16.213 1.00 0.00 H new ATOM 0 HE ARG A 7 100.262 -21.172 16.623 1.00 0.00 H new ATOM 0 HH11 ARG A 7 101.438 -19.762 17.943 1.00 0.00 H new ATOM 0 HH12 ARG A 7 101.619 -20.110 19.666 1.00 0.00 H new ATOM 0 HH21 ARG A 7 99.754 -23.064 19.519 1.00 0.00 H new ATOM 0 HH22 ARG A 7 100.674 -21.963 20.550 1.00 0.00 H new ATOM 109 N MET A 8 95.029 -22.206 17.599 1.00 0.00 N ATOM 110 CA MET A 8 93.876 -21.273 17.822 1.00 0.00 C ATOM 111 C MET A 8 94.390 -19.834 18.072 1.00 0.00 C ATOM 112 O MET A 8 94.094 -18.959 17.284 1.00 0.00 O ATOM 113 CB MET A 8 92.988 -21.798 18.981 1.00 0.00 C ATOM 114 CG MET A 8 93.604 -23.082 19.571 1.00 0.00 C ATOM 115 SD MET A 8 92.672 -23.585 21.039 1.00 0.00 S ATOM 116 CE MET A 8 93.702 -25.004 21.487 1.00 0.00 C ATOM 0 H MET A 8 95.855 -22.019 18.167 1.00 0.00 H new ATOM 0 HA MET A 8 93.254 -21.236 16.928 1.00 0.00 H new ATOM 0 HB2 MET A 8 92.899 -21.037 19.756 1.00 0.00 H new ATOM 0 HB3 MET A 8 91.981 -22.001 18.616 1.00 0.00 H new ATOM 0 HG2 MET A 8 93.589 -23.879 18.828 1.00 0.00 H new ATOM 0 HG3 MET A 8 94.648 -22.909 19.832 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.302 -25.475 22.385 1.00 0.00 H new ATOM 0 HE2 MET A 8 93.704 -25.725 20.669 1.00 0.00 H new ATOM 0 HE3 MET A 8 94.721 -24.668 21.677 1.00 0.00 H new ATOM 126 N PRO A 9 95.168 -19.558 19.112 1.00 0.00 N ATOM 127 CA PRO A 9 95.696 -18.181 19.339 1.00 0.00 C ATOM 128 C PRO A 9 96.178 -17.589 18.025 1.00 0.00 C ATOM 129 O PRO A 9 96.104 -16.402 17.776 1.00 0.00 O ATOM 130 CB PRO A 9 96.870 -18.411 20.288 1.00 0.00 C ATOM 131 CG PRO A 9 96.442 -19.572 21.106 1.00 0.00 C ATOM 132 CD PRO A 9 95.634 -20.475 20.166 1.00 0.00 C ATOM 0 HA PRO A 9 94.955 -17.489 19.739 1.00 0.00 H new ATOM 0 HB2 PRO A 9 97.790 -18.623 19.743 1.00 0.00 H new ATOM 0 HB3 PRO A 9 97.062 -17.535 20.907 1.00 0.00 H new ATOM 0 HG2 PRO A 9 97.303 -20.102 21.512 1.00 0.00 H new ATOM 0 HG3 PRO A 9 95.837 -19.250 21.954 1.00 0.00 H new ATOM 0 HD2 PRO A 9 96.248 -21.277 19.756 1.00 0.00 H new ATOM 0 HD3 PRO A 9 94.799 -20.946 20.684 1.00 0.00 H new ATOM 140 N ASP A 10 96.656 -18.455 17.182 1.00 0.00 N ATOM 141 CA ASP A 10 97.153 -18.046 15.834 1.00 0.00 C ATOM 142 C ASP A 10 96.283 -18.725 14.784 1.00 0.00 C ATOM 143 O ASP A 10 96.122 -18.245 13.680 1.00 0.00 O ATOM 144 CB ASP A 10 98.609 -18.495 15.670 1.00 0.00 C ATOM 145 CG ASP A 10 99.248 -17.751 14.496 1.00 0.00 C ATOM 146 OD1 ASP A 10 100.008 -18.371 13.771 1.00 0.00 O ATOM 147 OD2 ASP A 10 98.966 -16.574 14.342 1.00 0.00 O ATOM 0 H ASP A 10 96.727 -19.455 17.371 1.00 0.00 H new ATOM 0 HA ASP A 10 97.104 -16.963 15.721 1.00 0.00 H new ATOM 0 HB2 ASP A 10 99.166 -18.297 16.586 1.00 0.00 H new ATOM 0 HB3 ASP A 10 98.651 -19.571 15.498 1.00 0.00 H new ATOM 152 N GLY A 11 95.712 -19.841 15.136 1.00 0.00 N ATOM 153 CA GLY A 11 94.836 -20.571 14.183 1.00 0.00 C ATOM 154 C GLY A 11 93.449 -19.930 14.183 1.00 0.00 C ATOM 155 O GLY A 11 92.527 -20.415 13.558 1.00 0.00 O ATOM 0 H GLY A 11 95.816 -20.281 16.050 1.00 0.00 H new ATOM 0 HA2 GLY A 11 95.264 -20.541 13.181 1.00 0.00 H new ATOM 0 HA3 GLY A 11 94.765 -21.621 14.467 1.00 0.00 H new ATOM 159 N CYS A 12 93.296 -18.843 14.887 1.00 0.00 N ATOM 160 CA CYS A 12 91.971 -18.167 14.936 1.00 0.00 C ATOM 161 C CYS A 12 92.107 -16.816 15.643 1.00 0.00 C ATOM 162 O CYS A 12 91.603 -15.814 15.178 1.00 0.00 O ATOM 163 CB CYS A 12 90.992 -19.050 15.708 1.00 0.00 C ATOM 164 SG CYS A 12 89.499 -18.107 16.108 1.00 0.00 S ATOM 0 H CYS A 12 94.033 -18.394 15.431 1.00 0.00 H new ATOM 0 HA CYS A 12 91.604 -18.005 13.923 1.00 0.00 H new ATOM 0 HB2 CYS A 12 90.732 -19.926 15.114 1.00 0.00 H new ATOM 0 HB3 CYS A 12 91.460 -19.413 16.623 1.00 0.00 H new ATOM 0 HG CYS A 12 88.670 -18.864 16.763 1.00 0.00 H new ATOM 170 N TYR A 13 92.766 -16.797 16.775 1.00 0.00 N ATOM 171 CA TYR A 13 92.938 -15.535 17.554 1.00 0.00 C ATOM 172 C TYR A 13 91.675 -15.321 18.379 1.00 0.00 C ATOM 173 O TYR A 13 91.727 -14.931 19.528 1.00 0.00 O ATOM 174 CB TYR A 13 93.174 -14.338 16.605 1.00 0.00 C ATOM 175 CG TYR A 13 94.034 -13.293 17.288 1.00 0.00 C ATOM 176 CD1 TYR A 13 93.500 -12.520 18.326 1.00 0.00 C ATOM 177 CD2 TYR A 13 95.362 -13.099 16.883 1.00 0.00 C ATOM 178 CE1 TYR A 13 94.292 -11.555 18.960 1.00 0.00 C ATOM 179 CE2 TYR A 13 96.153 -12.133 17.517 1.00 0.00 C ATOM 180 CZ TYR A 13 95.618 -11.361 18.556 1.00 0.00 C ATOM 181 OH TYR A 13 96.398 -10.410 19.181 1.00 0.00 O ATOM 0 H TYR A 13 93.199 -17.618 17.198 1.00 0.00 H new ATOM 0 HA TYR A 13 93.807 -15.611 18.207 1.00 0.00 H new ATOM 0 HB2 TYR A 13 93.660 -14.679 15.691 1.00 0.00 H new ATOM 0 HB3 TYR A 13 92.219 -13.901 16.314 1.00 0.00 H new ATOM 0 HD1 TYR A 13 92.477 -12.668 18.638 1.00 0.00 H new ATOM 0 HD2 TYR A 13 95.775 -13.694 16.082 1.00 0.00 H new ATOM 0 HE1 TYR A 13 93.879 -10.960 19.761 1.00 0.00 H new ATOM 0 HE2 TYR A 13 97.176 -11.983 17.205 1.00 0.00 H new ATOM 0 HH TYR A 13 97.292 -10.405 18.780 1.00 0.00 H new ATOM 191 N ALA A 14 90.543 -15.590 17.788 1.00 0.00 N ATOM 192 CA ALA A 14 89.245 -15.426 18.500 1.00 0.00 C ATOM 193 C ALA A 14 88.131 -15.382 17.460 1.00 0.00 C ATOM 194 O ALA A 14 87.070 -15.948 17.641 1.00 0.00 O ATOM 195 CB ALA A 14 89.264 -14.124 19.317 1.00 0.00 C ATOM 0 H ALA A 14 90.462 -15.922 16.827 1.00 0.00 H new ATOM 0 HA ALA A 14 89.079 -16.259 19.184 1.00 0.00 H new ATOM 0 HB1 ALA A 14 88.313 -14.007 19.837 1.00 0.00 H new ATOM 0 HB2 ALA A 14 90.073 -14.164 20.046 1.00 0.00 H new ATOM 0 HB3 ALA A 14 89.419 -13.277 18.648 1.00 0.00 H new ATOM 201 N ASP A 15 88.369 -14.717 16.369 1.00 0.00 N ATOM 202 CA ASP A 15 87.329 -14.640 15.310 1.00 0.00 C ATOM 203 C ASP A 15 87.959 -14.222 13.976 1.00 0.00 C ATOM 204 O ASP A 15 87.273 -14.032 12.992 1.00 0.00 O ATOM 205 CB ASP A 15 86.279 -13.610 15.718 1.00 0.00 C ATOM 206 CG ASP A 15 85.044 -13.754 14.826 1.00 0.00 C ATOM 207 OD1 ASP A 15 84.666 -12.772 14.209 1.00 0.00 O ATOM 208 OD2 ASP A 15 84.498 -14.844 14.776 1.00 0.00 O ATOM 0 H ASP A 15 89.238 -14.223 16.164 1.00 0.00 H new ATOM 0 HA ASP A 15 86.867 -15.620 15.190 1.00 0.00 H new ATOM 0 HB2 ASP A 15 86.004 -13.751 16.763 1.00 0.00 H new ATOM 0 HB3 ASP A 15 86.689 -12.604 15.629 1.00 0.00 H new ATOM 213 N GLY A 16 89.254 -14.065 13.934 1.00 0.00 N ATOM 214 CA GLY A 16 89.913 -13.648 12.664 1.00 0.00 C ATOM 215 C GLY A 16 89.747 -12.140 12.504 1.00 0.00 C ATOM 216 O GLY A 16 89.514 -11.637 11.423 1.00 0.00 O ATOM 0 H GLY A 16 89.884 -14.207 14.724 1.00 0.00 H new ATOM 0 HA2 GLY A 16 90.970 -13.913 12.681 1.00 0.00 H new ATOM 0 HA3 GLY A 16 89.467 -14.170 11.817 1.00 0.00 H new ATOM 220 N THR A 17 89.852 -11.419 13.585 1.00 0.00 N ATOM 221 CA THR A 17 89.688 -9.945 13.523 1.00 0.00 C ATOM 222 C THR A 17 90.968 -9.293 13.006 1.00 0.00 C ATOM 223 O THR A 17 92.035 -9.434 13.572 1.00 0.00 O ATOM 224 CB THR A 17 89.374 -9.411 14.929 1.00 0.00 C ATOM 225 OG1 THR A 17 90.139 -10.130 15.887 1.00 0.00 O ATOM 226 CG2 THR A 17 87.886 -9.584 15.233 1.00 0.00 C ATOM 0 H THR A 17 90.046 -11.793 14.514 1.00 0.00 H new ATOM 0 HA THR A 17 88.870 -9.705 12.844 1.00 0.00 H new ATOM 0 HB THR A 17 89.627 -8.352 14.975 1.00 0.00 H new ATOM 0 HG1 THR A 17 91.057 -10.234 15.561 1.00 0.00 H new ATOM 0 HG21 THR A 17 87.672 -9.203 16.232 1.00 0.00 H new ATOM 0 HG22 THR A 17 87.298 -9.031 14.500 1.00 0.00 H new ATOM 0 HG23 THR A 17 87.625 -10.641 15.185 1.00 0.00 H new ATOM 234 N TRP A 18 90.846 -8.558 11.942 1.00 0.00 N ATOM 235 CA TRP A 18 92.009 -7.843 11.350 1.00 0.00 C ATOM 236 C TRP A 18 91.570 -6.406 11.068 1.00 0.00 C ATOM 237 O TRP A 18 90.613 -6.171 10.358 1.00 0.00 O ATOM 238 CB TRP A 18 92.444 -8.535 10.044 1.00 0.00 C ATOM 239 CG TRP A 18 91.323 -9.358 9.487 1.00 0.00 C ATOM 240 CD1 TRP A 18 90.198 -8.865 8.918 1.00 0.00 C ATOM 241 CD2 TRP A 18 91.207 -10.810 9.432 1.00 0.00 C ATOM 242 NE1 TRP A 18 89.400 -9.923 8.517 1.00 0.00 N ATOM 243 CE2 TRP A 18 89.978 -11.141 8.814 1.00 0.00 C ATOM 244 CE3 TRP A 18 92.040 -11.861 9.857 1.00 0.00 C ATOM 245 CZ2 TRP A 18 89.591 -12.468 8.623 1.00 0.00 C ATOM 246 CZ3 TRP A 18 91.653 -13.197 9.666 1.00 0.00 C ATOM 247 CH2 TRP A 18 90.431 -13.500 9.050 1.00 0.00 C ATOM 0 H TRP A 18 89.967 -8.418 11.444 1.00 0.00 H new ATOM 0 HA TRP A 18 92.857 -7.854 12.034 1.00 0.00 H new ATOM 0 HB2 TRP A 18 92.751 -7.786 9.314 1.00 0.00 H new ATOM 0 HB3 TRP A 18 93.310 -9.170 10.233 1.00 0.00 H new ATOM 0 HD1 TRP A 18 89.962 -7.818 8.797 1.00 0.00 H new ATOM 0 HE1 TRP A 18 88.495 -9.816 8.058 1.00 0.00 H new ATOM 0 HE3 TRP A 18 92.983 -11.639 10.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 88.648 -12.696 8.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 92.301 -13.996 9.996 1.00 0.00 H new ATOM 0 HH2 TRP A 18 90.139 -14.530 8.906 1.00 0.00 H new ATOM 258 N GLU A 19 92.247 -5.444 11.627 1.00 0.00 N ATOM 259 CA GLU A 19 91.838 -4.030 11.388 1.00 0.00 C ATOM 260 C GLU A 19 92.270 -3.605 9.990 1.00 0.00 C ATOM 261 O GLU A 19 93.384 -3.844 9.568 1.00 0.00 O ATOM 262 CB GLU A 19 92.449 -3.080 12.453 1.00 0.00 C ATOM 263 CG GLU A 19 93.541 -3.798 13.238 1.00 0.00 C ATOM 264 CD GLU A 19 94.599 -4.342 12.277 1.00 0.00 C ATOM 265 OE1 GLU A 19 95.131 -3.559 11.507 1.00 0.00 O ATOM 266 OE2 GLU A 19 94.859 -5.533 12.326 1.00 0.00 O ATOM 0 H GLU A 19 93.058 -5.571 12.233 1.00 0.00 H new ATOM 0 HA GLU A 19 90.753 -3.965 11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 19 92.862 -2.196 11.967 1.00 0.00 H new ATOM 0 HB3 GLU A 19 91.670 -2.735 13.133 1.00 0.00 H new ATOM 0 HG2 GLU A 19 94.001 -3.112 13.949 1.00 0.00 H new ATOM 0 HG3 GLU A 19 93.108 -4.614 13.817 1.00 0.00 H new ATOM 273 N LEU A 20 91.393 -2.959 9.274 1.00 0.00 N ATOM 274 CA LEU A 20 91.747 -2.498 7.909 1.00 0.00 C ATOM 275 C LEU A 20 92.478 -1.169 8.052 1.00 0.00 C ATOM 276 O LEU A 20 92.024 -0.283 8.738 1.00 0.00 O ATOM 277 CB LEU A 20 90.453 -2.307 7.075 1.00 0.00 C ATOM 278 CG LEU A 20 90.572 -2.999 5.702 1.00 0.00 C ATOM 279 CD1 LEU A 20 91.894 -2.609 5.000 1.00 0.00 C ATOM 280 CD2 LEU A 20 90.473 -4.537 5.885 1.00 0.00 C ATOM 0 H LEU A 20 90.446 -2.732 9.578 1.00 0.00 H new ATOM 0 HA LEU A 20 92.379 -3.227 7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 20 89.602 -2.716 7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 20 90.261 -1.243 6.934 1.00 0.00 H new ATOM 0 HG LEU A 20 89.752 -2.666 5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 20 91.954 -3.110 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.922 -1.530 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.738 -2.912 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 20 90.557 -5.025 4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 20 91.279 -4.879 6.534 1.00 0.00 H new ATOM 0 HD23 LEU A 20 89.513 -4.789 6.336 1.00 0.00 H new ATOM 292 N SER A 21 93.595 -1.015 7.414 1.00 0.00 N ATOM 293 CA SER A 21 94.327 0.269 7.538 1.00 0.00 C ATOM 294 C SER A 21 93.645 1.300 6.663 1.00 0.00 C ATOM 295 O SER A 21 93.131 0.991 5.606 1.00 0.00 O ATOM 296 CB SER A 21 95.775 0.084 7.085 1.00 0.00 C ATOM 297 OG SER A 21 96.615 0.958 7.829 1.00 0.00 O ATOM 0 H SER A 21 94.032 -1.716 6.816 1.00 0.00 H new ATOM 0 HA SER A 21 94.323 0.601 8.576 1.00 0.00 H new ATOM 0 HB2 SER A 21 96.085 -0.950 7.233 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.865 0.294 6.019 1.00 0.00 H new ATOM 0 HG SER A 21 97.545 0.841 7.542 1.00 0.00 H new ATOM 303 N VAL A 22 93.636 2.525 7.097 1.00 0.00 N ATOM 304 CA VAL A 22 92.987 3.591 6.296 1.00 0.00 C ATOM 305 C VAL A 22 93.836 4.851 6.346 1.00 0.00 C ATOM 306 O VAL A 22 94.220 5.309 7.395 1.00 0.00 O ATOM 307 CB VAL A 22 91.580 3.868 6.851 1.00 0.00 C ATOM 308 CG1 VAL A 22 91.072 5.232 6.372 1.00 0.00 C ATOM 309 CG2 VAL A 22 90.630 2.785 6.345 1.00 0.00 C ATOM 0 H VAL A 22 94.052 2.834 7.975 1.00 0.00 H new ATOM 0 HA VAL A 22 92.897 3.269 5.259 1.00 0.00 H new ATOM 0 HB VAL A 22 91.622 3.867 7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 22 90.075 5.411 6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 22 91.748 6.014 6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 22 91.031 5.243 5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 22 89.628 2.970 6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 22 90.607 2.801 5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.976 1.809 6.686 1.00 0.00 H new ATOM 319 N HIS A 23 94.101 5.420 5.205 1.00 0.00 N ATOM 320 CA HIS A 23 94.897 6.672 5.133 1.00 0.00 C ATOM 321 C HIS A 23 93.937 7.808 4.821 1.00 0.00 C ATOM 322 O HIS A 23 93.493 7.957 3.699 1.00 0.00 O ATOM 323 CB HIS A 23 95.907 6.539 3.993 1.00 0.00 C ATOM 324 CG HIS A 23 97.096 5.740 4.455 1.00 0.00 C ATOM 325 ND1 HIS A 23 97.058 4.360 4.577 1.00 0.00 N ATOM 326 CD2 HIS A 23 98.362 6.115 4.832 1.00 0.00 C ATOM 327 CE1 HIS A 23 98.266 3.957 5.011 1.00 0.00 C ATOM 328 NE2 HIS A 23 99.099 4.987 5.183 1.00 0.00 N ATOM 0 H HIS A 23 93.792 5.061 4.301 1.00 0.00 H new ATOM 0 HA HIS A 23 95.423 6.861 6.069 1.00 0.00 H new ATOM 0 HB2 HIS A 23 95.441 6.052 3.137 1.00 0.00 H new ATOM 0 HB3 HIS A 23 96.228 7.527 3.662 1.00 0.00 H new ATOM 0 HD2 HIS A 23 98.730 7.130 4.853 1.00 0.00 H new ATOM 0 HE1 HIS A 23 98.530 2.927 5.198 1.00 0.00 H new ATOM 0 HE2 HIS A 23 100.067 4.954 5.503 1.00 0.00 H new ATOM 336 N VAL A 24 93.598 8.613 5.785 1.00 0.00 N ATOM 337 CA VAL A 24 92.661 9.714 5.487 1.00 0.00 C ATOM 338 C VAL A 24 93.410 10.798 4.718 1.00 0.00 C ATOM 339 O VAL A 24 94.337 11.400 5.220 1.00 0.00 O ATOM 340 CB VAL A 24 92.111 10.272 6.791 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.843 11.077 6.498 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.782 9.117 7.737 1.00 0.00 C ATOM 0 H VAL A 24 93.925 8.555 6.749 1.00 0.00 H new ATOM 0 HA VAL A 24 91.829 9.353 4.883 1.00 0.00 H new ATOM 0 HB VAL A 24 92.853 10.920 7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 24 90.444 11.479 7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 24 91.081 11.897 5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 24 90.099 10.429 6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 24 91.388 9.514 8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 24 91.037 8.469 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.686 8.543 7.939 1.00 0.00 H new ATOM 352 N THR A 25 93.032 11.035 3.494 1.00 0.00 N ATOM 353 CA THR A 25 93.743 12.063 2.685 1.00 0.00 C ATOM 354 C THR A 25 93.244 13.464 3.052 1.00 0.00 C ATOM 355 O THR A 25 94.021 14.387 3.195 1.00 0.00 O ATOM 356 CB THR A 25 93.499 11.795 1.191 1.00 0.00 C ATOM 357 OG1 THR A 25 92.386 12.559 0.752 1.00 0.00 O ATOM 358 CG2 THR A 25 93.221 10.301 0.965 1.00 0.00 C ATOM 0 H THR A 25 92.263 10.562 3.019 1.00 0.00 H new ATOM 0 HA THR A 25 94.811 12.008 2.895 1.00 0.00 H new ATOM 0 HB THR A 25 94.385 12.081 0.624 1.00 0.00 H new ATOM 0 HG1 THR A 25 92.229 12.391 -0.201 1.00 0.00 H new ATOM 0 HG21 THR A 25 93.049 10.119 -0.096 1.00 0.00 H new ATOM 0 HG22 THR A 25 94.078 9.717 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 25 92.338 10.005 1.531 1.00 0.00 H new ATOM 366 N ASP A 26 91.960 13.638 3.207 1.00 0.00 N ATOM 367 CA ASP A 26 91.436 14.988 3.564 1.00 0.00 C ATOM 368 C ASP A 26 91.954 15.387 4.948 1.00 0.00 C ATOM 369 O ASP A 26 91.834 16.523 5.361 1.00 0.00 O ATOM 370 CB ASP A 26 89.904 14.961 3.573 1.00 0.00 C ATOM 371 CG ASP A 26 89.411 13.691 4.270 1.00 0.00 C ATOM 372 OD1 ASP A 26 88.568 13.808 5.144 1.00 0.00 O ATOM 373 OD2 ASP A 26 89.883 12.622 3.916 1.00 0.00 O ATOM 0 H ASP A 26 91.254 12.909 3.103 1.00 0.00 H new ATOM 0 HA ASP A 26 91.777 15.715 2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 26 89.519 15.842 4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 26 89.525 14.997 2.552 1.00 0.00 H new ATOM 378 N LEU A 27 92.536 14.456 5.663 1.00 0.00 N ATOM 379 CA LEU A 27 93.081 14.756 7.029 1.00 0.00 C ATOM 380 C LEU A 27 94.569 14.406 7.049 1.00 0.00 C ATOM 381 O LEU A 27 95.316 14.894 7.870 1.00 0.00 O ATOM 382 CB LEU A 27 92.375 13.873 8.074 1.00 0.00 C ATOM 383 CG LEU A 27 91.105 14.521 8.647 1.00 0.00 C ATOM 384 CD1 LEU A 27 91.393 15.911 9.230 1.00 0.00 C ATOM 385 CD2 LEU A 27 90.031 14.606 7.563 1.00 0.00 C ATOM 0 H LEU A 27 92.659 13.491 5.358 1.00 0.00 H new ATOM 0 HA LEU A 27 92.922 15.810 7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 27 92.115 12.918 7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 27 93.067 13.660 8.889 1.00 0.00 H new ATOM 0 HG LEU A 27 90.743 13.894 9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 27 90.471 16.338 9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 27 92.126 15.824 10.032 1.00 0.00 H new ATOM 0 HD13 LEU A 27 91.786 16.560 8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 27 89.133 15.066 7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 27 90.399 15.209 6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 27 89.794 13.604 7.206 1.00 0.00 H new ATOM 397 N ASN A 28 94.975 13.521 6.179 1.00 0.00 N ATOM 398 CA ASN A 28 96.395 13.068 6.146 1.00 0.00 C ATOM 399 C ASN A 28 96.635 12.165 7.350 1.00 0.00 C ATOM 400 O ASN A 28 97.757 11.853 7.697 1.00 0.00 O ATOM 401 CB ASN A 28 97.363 14.260 6.193 1.00 0.00 C ATOM 402 CG ASN A 28 98.738 13.800 5.719 1.00 0.00 C ATOM 403 OD1 ASN A 28 99.555 14.594 5.299 1.00 0.00 O ATOM 404 ND2 ASN A 28 99.019 12.533 5.776 1.00 0.00 N ATOM 0 H ASN A 28 94.373 13.086 5.479 1.00 0.00 H new ATOM 0 HA ASN A 28 96.577 12.530 5.216 1.00 0.00 H new ATOM 0 HB2 ASN A 28 96.997 15.068 5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 28 97.426 14.654 7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.932 12.199 5.467 1.00 0.00 H new ATOM 0 HD22 ASN A 28 98.327 11.873 6.130 1.00 0.00 H new ATOM 411 N ARG A 29 95.583 11.739 7.998 1.00 0.00 N ATOM 412 CA ARG A 29 95.740 10.862 9.173 1.00 0.00 C ATOM 413 C ARG A 29 95.760 9.416 8.724 1.00 0.00 C ATOM 414 O ARG A 29 95.674 9.103 7.553 1.00 0.00 O ATOM 415 CB ARG A 29 94.552 11.040 10.104 1.00 0.00 C ATOM 416 CG ARG A 29 94.594 12.430 10.741 1.00 0.00 C ATOM 417 CD ARG A 29 93.210 12.790 11.316 1.00 0.00 C ATOM 418 NE ARG A 29 93.105 12.272 12.711 1.00 0.00 N ATOM 419 CZ ARG A 29 91.932 12.069 13.248 1.00 0.00 C ATOM 420 NH1 ARG A 29 91.843 11.620 14.470 1.00 0.00 N ATOM 421 NH2 ARG A 29 90.848 12.315 12.565 1.00 0.00 N ATOM 0 H ARG A 29 94.619 11.968 7.755 1.00 0.00 H new ATOM 0 HA ARG A 29 96.668 11.120 9.683 1.00 0.00 H new ATOM 0 HB2 ARG A 29 93.622 10.912 9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 29 94.569 10.274 10.880 1.00 0.00 H new ATOM 0 HG2 ARG A 29 95.343 12.453 11.533 1.00 0.00 H new ATOM 0 HG3 ARG A 29 94.892 13.170 9.998 1.00 0.00 H new ATOM 0 HD2 ARG A 29 93.069 13.871 11.306 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.423 12.360 10.696 1.00 0.00 H new ATOM 0 HE ARG A 29 93.951 12.076 13.246 1.00 0.00 H new ATOM 0 HH11 ARG A 29 92.690 11.428 15.006 1.00 0.00 H new ATOM 0 HH12 ARG A 29 90.927 11.461 14.890 1.00 0.00 H new ATOM 0 HH21 ARG A 29 90.916 12.666 11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 29 89.933 12.156 12.986 1.00 0.00 H new ATOM 435 N ASP A 30 95.835 8.535 9.669 1.00 0.00 N ATOM 436 CA ASP A 30 95.819 7.084 9.369 1.00 0.00 C ATOM 437 C ASP A 30 94.936 6.409 10.407 1.00 0.00 C ATOM 438 O ASP A 30 95.204 6.472 11.591 1.00 0.00 O ATOM 439 CB ASP A 30 97.230 6.504 9.439 1.00 0.00 C ATOM 440 CG ASP A 30 98.001 6.868 8.169 1.00 0.00 C ATOM 441 OD1 ASP A 30 98.503 5.962 7.525 1.00 0.00 O ATOM 442 OD2 ASP A 30 98.077 8.047 7.863 1.00 0.00 O ATOM 0 H ASP A 30 95.908 8.763 10.660 1.00 0.00 H new ATOM 0 HA ASP A 30 95.436 6.916 8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.750 6.892 10.315 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.183 5.421 9.550 1.00 0.00 H new ATOM 447 N VAL A 31 93.870 5.785 9.977 1.00 0.00 N ATOM 448 CA VAL A 31 92.938 5.124 10.943 1.00 0.00 C ATOM 449 C VAL A 31 92.872 3.622 10.679 1.00 0.00 C ATOM 450 O VAL A 31 93.122 3.154 9.586 1.00 0.00 O ATOM 451 CB VAL A 31 91.540 5.721 10.778 1.00 0.00 C ATOM 452 CG1 VAL A 31 90.646 5.206 11.904 1.00 0.00 C ATOM 453 CG2 VAL A 31 91.617 7.257 10.848 1.00 0.00 C ATOM 0 H VAL A 31 93.603 5.704 8.996 1.00 0.00 H new ATOM 0 HA VAL A 31 93.304 5.290 11.956 1.00 0.00 H new ATOM 0 HB VAL A 31 91.129 5.428 9.812 1.00 0.00 H new ATOM 0 HG11 VAL A 31 89.646 5.626 11.796 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.590 4.119 11.856 1.00 0.00 H new ATOM 0 HG13 VAL A 31 91.063 5.505 12.866 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.618 7.677 10.730 1.00 0.00 H new ATOM 0 HG22 VAL A 31 92.025 7.557 11.813 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.262 7.626 10.051 1.00 0.00 H new ATOM 463 N THR A 32 92.516 2.871 11.688 1.00 0.00 N ATOM 464 CA THR A 32 92.396 1.388 11.548 1.00 0.00 C ATOM 465 C THR A 32 91.071 0.962 12.196 1.00 0.00 C ATOM 466 O THR A 32 90.760 1.357 13.302 1.00 0.00 O ATOM 467 CB THR A 32 93.587 0.703 12.268 1.00 0.00 C ATOM 468 OG1 THR A 32 94.378 1.699 12.899 1.00 0.00 O ATOM 469 CG2 THR A 32 94.464 -0.077 11.276 1.00 0.00 C ATOM 0 H THR A 32 92.300 3.228 12.619 1.00 0.00 H new ATOM 0 HA THR A 32 92.412 1.095 10.498 1.00 0.00 H new ATOM 0 HB THR A 32 93.190 0.002 13.002 1.00 0.00 H new ATOM 0 HG1 THR A 32 95.133 1.275 13.358 1.00 0.00 H new ATOM 0 HG21 THR A 32 95.290 -0.546 11.811 1.00 0.00 H new ATOM 0 HG22 THR A 32 93.865 -0.846 10.788 1.00 0.00 H new ATOM 0 HG23 THR A 32 94.860 0.606 10.525 1.00 0.00 H new ATOM 477 N LEU A 33 90.289 0.173 11.507 1.00 0.00 N ATOM 478 CA LEU A 33 88.969 -0.274 12.049 1.00 0.00 C ATOM 479 C LEU A 33 88.982 -1.786 12.275 1.00 0.00 C ATOM 480 O LEU A 33 89.017 -2.559 11.346 1.00 0.00 O ATOM 481 CB LEU A 33 87.889 0.079 11.010 1.00 0.00 C ATOM 482 CG LEU A 33 87.361 1.521 11.189 1.00 0.00 C ATOM 483 CD1 LEU A 33 86.303 1.564 12.289 1.00 0.00 C ATOM 484 CD2 LEU A 33 88.497 2.495 11.540 1.00 0.00 C ATOM 0 H LEU A 33 90.511 -0.186 10.579 1.00 0.00 H new ATOM 0 HA LEU A 33 88.766 0.219 13.000 1.00 0.00 H new ATOM 0 HB2 LEU A 33 88.300 -0.034 10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 33 87.060 -0.624 11.096 1.00 0.00 H new ATOM 0 HG LEU A 33 86.920 1.829 10.241 1.00 0.00 H new ATOM 0 HD11 LEU A 33 85.940 2.585 12.405 1.00 0.00 H new ATOM 0 HD12 LEU A 33 85.472 0.911 12.020 1.00 0.00 H new ATOM 0 HD13 LEU A 33 86.741 1.226 13.228 1.00 0.00 H new ATOM 0 HD21 LEU A 33 88.091 3.500 11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.970 2.182 12.471 1.00 0.00 H new ATOM 0 HD23 LEU A 33 89.237 2.495 10.739 1.00 0.00 H new ATOM 496 N ARG A 34 88.918 -2.196 13.511 1.00 0.00 N ATOM 497 CA ARG A 34 88.901 -3.646 13.835 1.00 0.00 C ATOM 498 C ARG A 34 87.671 -4.274 13.194 1.00 0.00 C ATOM 499 O ARG A 34 86.558 -4.089 13.646 1.00 0.00 O ATOM 500 CB ARG A 34 88.825 -3.821 15.353 1.00 0.00 C ATOM 501 CG ARG A 34 89.034 -5.297 15.713 1.00 0.00 C ATOM 502 CD ARG A 34 90.489 -5.717 15.460 1.00 0.00 C ATOM 503 NE ARG A 34 90.844 -6.834 16.381 1.00 0.00 N ATOM 504 CZ ARG A 34 92.097 -7.116 16.611 1.00 0.00 C ATOM 505 NH1 ARG A 34 92.409 -8.095 17.415 1.00 0.00 N ATOM 506 NH2 ARG A 34 93.039 -6.418 16.035 1.00 0.00 N ATOM 0 H ARG A 34 88.876 -1.577 14.321 1.00 0.00 H new ATOM 0 HA ARG A 34 89.804 -4.125 13.458 1.00 0.00 H new ATOM 0 HB2 ARG A 34 89.584 -3.207 15.838 1.00 0.00 H new ATOM 0 HB3 ARG A 34 87.857 -3.480 15.720 1.00 0.00 H new ATOM 0 HG2 ARG A 34 88.780 -5.460 16.760 1.00 0.00 H new ATOM 0 HG3 ARG A 34 88.363 -5.919 15.121 1.00 0.00 H new ATOM 0 HD2 ARG A 34 90.615 -6.030 14.424 1.00 0.00 H new ATOM 0 HD3 ARG A 34 91.157 -4.871 15.620 1.00 0.00 H new ATOM 0 HE ARG A 34 90.108 -7.378 16.831 1.00 0.00 H new ATOM 0 HH11 ARG A 34 91.673 -8.640 17.864 1.00 0.00 H new ATOM 0 HH12 ARG A 34 93.389 -8.315 17.594 1.00 0.00 H new ATOM 0 HH21 ARG A 34 92.795 -5.653 15.406 1.00 0.00 H new ATOM 0 HH22 ARG A 34 94.019 -6.638 16.214 1.00 0.00 H new ATOM 520 N VAL A 35 87.865 -5.001 12.127 1.00 0.00 N ATOM 521 CA VAL A 35 86.717 -5.637 11.417 1.00 0.00 C ATOM 522 C VAL A 35 87.060 -7.073 11.050 1.00 0.00 C ATOM 523 O VAL A 35 88.056 -7.624 11.477 1.00 0.00 O ATOM 524 CB VAL A 35 86.435 -4.875 10.126 1.00 0.00 C ATOM 525 CG1 VAL A 35 85.908 -3.481 10.457 1.00 0.00 C ATOM 526 CG2 VAL A 35 87.723 -4.754 9.306 1.00 0.00 C ATOM 0 H VAL A 35 88.779 -5.183 11.712 1.00 0.00 H new ATOM 0 HA VAL A 35 85.847 -5.618 12.074 1.00 0.00 H new ATOM 0 HB VAL A 35 85.687 -5.416 9.546 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.707 -2.939 9.533 1.00 0.00 H new ATOM 0 HG12 VAL A 35 84.987 -3.568 11.034 1.00 0.00 H new ATOM 0 HG13 VAL A 35 86.652 -2.940 11.041 1.00 0.00 H new ATOM 0 HG21 VAL A 35 87.518 -4.209 8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 35 88.474 -4.217 9.885 1.00 0.00 H new ATOM 0 HG23 VAL A 35 88.095 -5.750 9.064 1.00 0.00 H new ATOM 536 N THR A 36 86.236 -7.671 10.238 1.00 0.00 N ATOM 537 CA THR A 36 86.479 -9.066 9.794 1.00 0.00 C ATOM 538 C THR A 36 86.050 -9.164 8.335 1.00 0.00 C ATOM 539 O THR A 36 85.458 -8.252 7.796 1.00 0.00 O ATOM 540 CB THR A 36 85.646 -10.029 10.646 1.00 0.00 C ATOM 541 OG1 THR A 36 84.358 -9.477 10.855 1.00 0.00 O ATOM 542 CG2 THR A 36 86.321 -10.246 11.993 1.00 0.00 C ATOM 0 H THR A 36 85.391 -7.243 9.858 1.00 0.00 H new ATOM 0 HA THR A 36 87.531 -9.329 9.903 1.00 0.00 H new ATOM 0 HB THR A 36 85.561 -10.984 10.127 1.00 0.00 H new ATOM 0 HG1 THR A 36 83.823 -10.092 11.398 1.00 0.00 H new ATOM 0 HG21 THR A 36 85.723 -10.932 12.593 1.00 0.00 H new ATOM 0 HG22 THR A 36 87.313 -10.670 11.839 1.00 0.00 H new ATOM 0 HG23 THR A 36 86.411 -9.292 12.513 1.00 0.00 H new ATOM 550 N GLY A 37 86.332 -10.247 7.682 1.00 0.00 N ATOM 551 CA GLY A 37 85.921 -10.365 6.263 1.00 0.00 C ATOM 552 C GLY A 37 84.437 -10.699 6.214 1.00 0.00 C ATOM 553 O GLY A 37 84.004 -11.585 5.504 1.00 0.00 O ATOM 0 H GLY A 37 86.827 -11.053 8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 37 86.117 -9.432 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 37 86.500 -11.142 5.765 1.00 0.00 H new ATOM 557 N GLU A 38 83.653 -9.985 6.974 1.00 0.00 N ATOM 558 CA GLU A 38 82.189 -10.231 6.999 1.00 0.00 C ATOM 559 C GLU A 38 81.464 -8.898 7.208 1.00 0.00 C ATOM 560 O GLU A 38 80.252 -8.843 7.263 1.00 0.00 O ATOM 561 CB GLU A 38 81.853 -11.196 8.144 1.00 0.00 C ATOM 562 CG GLU A 38 81.851 -10.460 9.503 1.00 0.00 C ATOM 563 CD GLU A 38 80.442 -9.946 9.823 1.00 0.00 C ATOM 564 OE1 GLU A 38 80.318 -8.777 10.150 1.00 0.00 O ATOM 565 OE2 GLU A 38 79.512 -10.732 9.735 1.00 0.00 O ATOM 0 H GLU A 38 83.971 -9.233 7.585 1.00 0.00 H new ATOM 0 HA GLU A 38 81.869 -10.674 6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.877 -11.648 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.580 -12.007 8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.188 -11.134 10.291 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.553 -9.626 9.475 1.00 0.00 H new ATOM 572 N VAL A 39 82.200 -7.815 7.320 1.00 0.00 N ATOM 573 CA VAL A 39 81.547 -6.494 7.520 1.00 0.00 C ATOM 574 C VAL A 39 81.270 -5.853 6.162 1.00 0.00 C ATOM 575 O VAL A 39 82.042 -5.977 5.242 1.00 0.00 O ATOM 576 CB VAL A 39 82.460 -5.581 8.361 1.00 0.00 C ATOM 577 CG1 VAL A 39 83.127 -6.418 9.450 1.00 0.00 C ATOM 578 CG2 VAL A 39 83.542 -4.904 7.494 1.00 0.00 C ATOM 0 H VAL A 39 83.219 -7.796 7.281 1.00 0.00 H new ATOM 0 HA VAL A 39 80.604 -6.631 8.050 1.00 0.00 H new ATOM 0 HB VAL A 39 81.849 -4.794 8.803 1.00 0.00 H new ATOM 0 HG11 VAL A 39 83.776 -5.782 10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 39 82.362 -6.862 10.087 1.00 0.00 H new ATOM 0 HG13 VAL A 39 83.720 -7.209 8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 39 84.166 -4.268 8.122 1.00 0.00 H new ATOM 0 HG22 VAL A 39 84.161 -5.668 7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 39 83.065 -4.297 6.724 1.00 0.00 H new ATOM 588 N HIS A 40 80.202 -5.137 6.034 1.00 0.00 N ATOM 589 CA HIS A 40 79.938 -4.466 4.730 1.00 0.00 C ATOM 590 C HIS A 40 80.822 -3.220 4.695 1.00 0.00 C ATOM 591 O HIS A 40 80.898 -2.490 5.662 1.00 0.00 O ATOM 592 CB HIS A 40 78.445 -4.088 4.613 1.00 0.00 C ATOM 593 CG HIS A 40 77.837 -3.958 5.984 1.00 0.00 C ATOM 594 ND1 HIS A 40 78.553 -3.478 7.067 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.583 -4.248 6.461 1.00 0.00 C ATOM 596 CE1 HIS A 40 77.733 -3.494 8.134 1.00 0.00 C ATOM 597 NE2 HIS A 40 76.520 -3.955 7.820 1.00 0.00 N ATOM 0 H HIS A 40 79.503 -4.983 6.761 1.00 0.00 H new ATOM 0 HA HIS A 40 80.166 -5.124 3.892 1.00 0.00 H new ATOM 0 HB2 HIS A 40 78.341 -3.149 4.070 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.913 -4.848 4.041 1.00 0.00 H new ATOM 0 HD2 HIS A 40 75.769 -4.643 5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 40 78.021 -3.173 9.124 1.00 0.00 H new ATOM 0 HE2 HIS A 40 75.720 -4.068 8.442 1.00 0.00 H new ATOM 605 N ILE A 41 81.513 -2.966 3.615 1.00 0.00 N ATOM 606 CA ILE A 41 82.384 -1.766 3.592 1.00 0.00 C ATOM 607 C ILE A 41 81.528 -0.551 3.971 1.00 0.00 C ATOM 608 O ILE A 41 81.973 0.339 4.666 1.00 0.00 O ATOM 609 CB ILE A 41 83.052 -1.631 2.201 1.00 0.00 C ATOM 610 CG1 ILE A 41 84.085 -0.484 2.194 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.015 -1.389 1.106 1.00 0.00 C ATOM 612 CD1 ILE A 41 83.413 0.838 1.770 1.00 0.00 C ATOM 0 H ILE A 41 81.510 -3.529 2.765 1.00 0.00 H new ATOM 0 HA ILE A 41 83.196 -1.846 4.315 1.00 0.00 H new ATOM 0 HB ILE A 41 83.562 -2.573 1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 41 84.524 -0.375 3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 41 84.899 -0.722 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 41 82.517 -1.299 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 41 81.317 -2.226 1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 41 81.470 -0.469 1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 41 84.153 1.638 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 41 82.995 0.729 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 41 82.615 1.082 2.471 1.00 0.00 H new ATOM 624 N GLY A 42 80.287 -0.519 3.549 1.00 0.00 N ATOM 625 CA GLY A 42 79.409 0.616 3.927 1.00 0.00 C ATOM 626 C GLY A 42 79.362 0.661 5.445 1.00 0.00 C ATOM 627 O GLY A 42 79.090 1.678 6.053 1.00 0.00 O ATOM 0 H GLY A 42 79.852 -1.230 2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.797 1.553 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 42 78.409 0.483 3.515 1.00 0.00 H new ATOM 631 N GLY A 43 79.652 -0.452 6.055 1.00 0.00 N ATOM 632 CA GLY A 43 79.660 -0.519 7.531 1.00 0.00 C ATOM 633 C GLY A 43 80.883 0.233 8.029 1.00 0.00 C ATOM 634 O GLY A 43 80.923 0.700 9.143 1.00 0.00 O ATOM 0 H GLY A 43 79.886 -1.326 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.750 -0.078 7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 43 79.688 -1.556 7.865 1.00 0.00 H new ATOM 638 N VAL A 44 81.883 0.371 7.196 1.00 0.00 N ATOM 639 CA VAL A 44 83.103 1.116 7.627 1.00 0.00 C ATOM 640 C VAL A 44 82.832 2.609 7.425 1.00 0.00 C ATOM 641 O VAL A 44 83.275 3.439 8.194 1.00 0.00 O ATOM 642 CB VAL A 44 84.325 0.636 6.802 1.00 0.00 C ATOM 643 CG1 VAL A 44 85.325 1.778 6.574 1.00 0.00 C ATOM 644 CG2 VAL A 44 85.038 -0.490 7.556 1.00 0.00 C ATOM 0 H VAL A 44 81.908 0.004 6.245 1.00 0.00 H new ATOM 0 HA VAL A 44 83.330 0.932 8.677 1.00 0.00 H new ATOM 0 HB VAL A 44 83.962 0.285 5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 44 86.171 1.410 5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.836 2.587 6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 44 85.679 2.149 7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 44 85.897 -0.828 6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 44 85.375 -0.122 8.525 1.00 0.00 H new ATOM 0 HG23 VAL A 44 84.349 -1.322 7.703 1.00 0.00 H new ATOM 654 N MET A 45 82.082 2.953 6.415 1.00 0.00 N ATOM 655 CA MET A 45 81.758 4.387 6.192 1.00 0.00 C ATOM 656 C MET A 45 81.203 4.953 7.504 1.00 0.00 C ATOM 657 O MET A 45 81.468 6.081 7.882 1.00 0.00 O ATOM 658 CB MET A 45 80.665 4.502 5.110 1.00 0.00 C ATOM 659 CG MET A 45 81.246 4.334 3.690 1.00 0.00 C ATOM 660 SD MET A 45 80.208 5.255 2.514 1.00 0.00 S ATOM 661 CE MET A 45 78.814 4.096 2.419 1.00 0.00 C ATOM 0 H MET A 45 81.681 2.305 5.737 1.00 0.00 H new ATOM 0 HA MET A 45 82.648 4.930 5.874 1.00 0.00 H new ATOM 0 HB2 MET A 45 79.901 3.744 5.283 1.00 0.00 H new ATOM 0 HB3 MET A 45 80.175 5.472 5.190 1.00 0.00 H new ATOM 0 HG2 MET A 45 82.271 4.703 3.656 1.00 0.00 H new ATOM 0 HG3 MET A 45 81.278 3.279 3.418 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.884 4.654 2.305 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.948 3.435 1.563 1.00 0.00 H new ATOM 0 HE3 MET A 45 78.771 3.502 3.332 1.00 0.00 H new ATOM 671 N LEU A 46 80.411 4.169 8.184 1.00 0.00 N ATOM 672 CA LEU A 46 79.793 4.641 9.459 1.00 0.00 C ATOM 673 C LEU A 46 80.805 4.611 10.621 1.00 0.00 C ATOM 674 O LEU A 46 81.073 5.623 11.236 1.00 0.00 O ATOM 675 CB LEU A 46 78.574 3.742 9.784 1.00 0.00 C ATOM 676 CG LEU A 46 77.376 4.607 10.229 1.00 0.00 C ATOM 677 CD1 LEU A 46 76.128 3.730 10.446 1.00 0.00 C ATOM 678 CD2 LEU A 46 77.736 5.341 11.530 1.00 0.00 C ATOM 0 H LEU A 46 80.164 3.218 7.911 1.00 0.00 H new ATOM 0 HA LEU A 46 79.473 5.675 9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 46 78.302 3.155 8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 46 78.834 3.035 10.572 1.00 0.00 H new ATOM 0 HG LEU A 46 77.152 5.335 9.449 1.00 0.00 H new ATOM 0 HD11 LEU A 46 75.293 4.357 10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 46 75.872 3.224 9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 46 76.334 2.988 11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 46 76.892 5.953 11.848 1.00 0.00 H new ATOM 0 HD22 LEU A 46 77.968 4.612 12.307 1.00 0.00 H new ATOM 0 HD23 LEU A 46 78.603 5.979 11.360 1.00 0.00 H new ATOM 690 N LYS A 47 81.346 3.466 10.947 1.00 0.00 N ATOM 691 CA LYS A 47 82.308 3.395 12.094 1.00 0.00 C ATOM 692 C LYS A 47 83.325 4.529 11.997 1.00 0.00 C ATOM 693 O LYS A 47 83.492 5.304 12.913 1.00 0.00 O ATOM 694 CB LYS A 47 83.057 2.060 12.075 1.00 0.00 C ATOM 695 CG LYS A 47 82.059 0.904 12.082 1.00 0.00 C ATOM 696 CD LYS A 47 82.775 -0.393 11.695 1.00 0.00 C ATOM 697 CE LYS A 47 81.835 -1.582 11.902 1.00 0.00 C ATOM 698 NZ LYS A 47 81.616 -1.793 13.361 1.00 0.00 N ATOM 0 H LYS A 47 81.167 2.580 10.474 1.00 0.00 H new ATOM 0 HA LYS A 47 81.742 3.485 13.021 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.689 2.000 11.189 1.00 0.00 H new ATOM 0 HB3 LYS A 47 83.714 1.990 12.942 1.00 0.00 H new ATOM 0 HG2 LYS A 47 81.611 0.803 13.070 1.00 0.00 H new ATOM 0 HG3 LYS A 47 81.248 1.106 11.383 1.00 0.00 H new ATOM 0 HD2 LYS A 47 83.095 -0.347 10.654 1.00 0.00 H new ATOM 0 HD3 LYS A 47 83.674 -0.518 12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.883 -1.398 11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 47 82.262 -2.479 11.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 81.309 -2.772 13.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 82.503 -1.616 13.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.883 -1.138 13.700 1.00 0.00 H new ATOM 712 N LEU A 48 84.019 4.625 10.905 1.00 0.00 N ATOM 713 CA LEU A 48 85.033 5.709 10.767 1.00 0.00 C ATOM 714 C LEU A 48 84.428 7.048 11.222 1.00 0.00 C ATOM 715 O LEU A 48 84.907 7.669 12.150 1.00 0.00 O ATOM 716 CB LEU A 48 85.491 5.790 9.285 1.00 0.00 C ATOM 717 CG LEU A 48 86.945 5.312 9.149 1.00 0.00 C ATOM 718 CD1 LEU A 48 87.285 5.001 7.697 1.00 0.00 C ATOM 719 CD2 LEU A 48 87.897 6.397 9.651 1.00 0.00 C ATOM 0 H LEU A 48 83.932 4.004 10.101 1.00 0.00 H new ATOM 0 HA LEU A 48 85.897 5.492 11.395 1.00 0.00 H new ATOM 0 HB2 LEU A 48 84.840 5.177 8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 48 85.403 6.815 8.926 1.00 0.00 H new ATOM 0 HG LEU A 48 87.056 4.405 9.744 1.00 0.00 H new ATOM 0 HD11 LEU A 48 88.320 4.665 7.630 1.00 0.00 H new ATOM 0 HD12 LEU A 48 86.624 4.217 7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 48 87.155 5.899 7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 48 88.926 6.052 9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 48 87.760 7.303 9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 48 87.685 6.611 10.699 1.00 0.00 H new ATOM 731 N VAL A 49 83.389 7.499 10.579 1.00 0.00 N ATOM 732 CA VAL A 49 82.777 8.798 10.986 1.00 0.00 C ATOM 733 C VAL A 49 82.455 8.781 12.488 1.00 0.00 C ATOM 734 O VAL A 49 82.767 9.714 13.201 1.00 0.00 O ATOM 735 CB VAL A 49 81.496 9.026 10.183 1.00 0.00 C ATOM 736 CG1 VAL A 49 80.730 10.229 10.747 1.00 0.00 C ATOM 737 CG2 VAL A 49 81.860 9.303 8.721 1.00 0.00 C ATOM 0 H VAL A 49 82.938 7.030 9.794 1.00 0.00 H new ATOM 0 HA VAL A 49 83.481 9.606 10.787 1.00 0.00 H new ATOM 0 HB VAL A 49 80.869 8.137 10.250 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.819 10.384 10.169 1.00 0.00 H new ATOM 0 HG12 VAL A 49 80.471 10.039 11.789 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.355 11.120 10.685 1.00 0.00 H new ATOM 0 HG21 VAL A 49 80.950 9.466 8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 49 82.489 10.191 8.665 1.00 0.00 H new ATOM 0 HG23 VAL A 49 82.400 8.449 8.312 1.00 0.00 H new ATOM 747 N GLU A 50 81.827 7.738 12.973 1.00 0.00 N ATOM 748 CA GLU A 50 81.484 7.684 14.430 1.00 0.00 C ATOM 749 C GLU A 50 82.689 8.118 15.262 1.00 0.00 C ATOM 750 O GLU A 50 82.564 8.858 16.218 1.00 0.00 O ATOM 751 CB GLU A 50 81.095 6.255 14.825 1.00 0.00 C ATOM 752 CG GLU A 50 79.776 5.872 14.151 1.00 0.00 C ATOM 753 CD GLU A 50 78.609 6.551 14.873 1.00 0.00 C ATOM 754 OE1 GLU A 50 77.497 6.449 14.383 1.00 0.00 O ATOM 755 OE2 GLU A 50 78.846 7.159 15.904 1.00 0.00 O ATOM 0 H GLU A 50 81.538 6.926 12.428 1.00 0.00 H new ATOM 0 HA GLU A 50 80.646 8.355 14.617 1.00 0.00 H new ATOM 0 HB2 GLU A 50 81.880 5.560 14.529 1.00 0.00 H new ATOM 0 HB3 GLU A 50 80.995 6.182 15.908 1.00 0.00 H new ATOM 0 HG2 GLU A 50 79.792 6.172 13.103 1.00 0.00 H new ATOM 0 HG3 GLU A 50 79.648 4.790 14.171 1.00 0.00 H new ATOM 762 N LYS A 51 83.853 7.659 14.909 1.00 0.00 N ATOM 763 CA LYS A 51 85.067 8.035 15.677 1.00 0.00 C ATOM 764 C LYS A 51 85.300 9.543 15.589 1.00 0.00 C ATOM 765 O LYS A 51 85.609 10.188 16.572 1.00 0.00 O ATOM 766 CB LYS A 51 86.256 7.281 15.096 1.00 0.00 C ATOM 767 CG LYS A 51 86.059 5.794 15.373 1.00 0.00 C ATOM 768 CD LYS A 51 87.058 4.972 14.577 1.00 0.00 C ATOM 769 CE LYS A 51 86.958 3.527 15.046 1.00 0.00 C ATOM 770 NZ LYS A 51 85.624 2.976 14.671 1.00 0.00 N ATOM 0 H LYS A 51 84.017 7.037 14.118 1.00 0.00 H new ATOM 0 HA LYS A 51 84.940 7.773 16.727 1.00 0.00 H new ATOM 0 HB2 LYS A 51 86.333 7.461 14.024 1.00 0.00 H new ATOM 0 HB3 LYS A 51 87.185 7.632 15.546 1.00 0.00 H new ATOM 0 HG2 LYS A 51 86.182 5.596 16.438 1.00 0.00 H new ATOM 0 HG3 LYS A 51 85.043 5.500 15.109 1.00 0.00 H new ATOM 0 HD2 LYS A 51 86.845 5.042 13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 51 88.069 5.352 14.726 1.00 0.00 H new ATOM 0 HE2 LYS A 51 87.750 2.931 14.594 1.00 0.00 H new ATOM 0 HE3 LYS A 51 87.096 3.473 16.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 85.694 1.945 14.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 84.935 3.196 15.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 85.311 3.403 13.776 1.00 0.00 H new ATOM 784 N LEU A 52 85.146 10.117 14.429 1.00 0.00 N ATOM 785 CA LEU A 52 85.347 11.570 14.287 1.00 0.00 C ATOM 786 C LEU A 52 84.318 12.284 15.169 1.00 0.00 C ATOM 787 O LEU A 52 84.658 12.908 16.152 1.00 0.00 O ATOM 788 CB LEU A 52 85.155 11.921 12.797 1.00 0.00 C ATOM 789 CG LEU A 52 86.362 12.697 12.247 1.00 0.00 C ATOM 790 CD1 LEU A 52 86.621 13.958 13.092 1.00 0.00 C ATOM 791 CD2 LEU A 52 87.619 11.798 12.228 1.00 0.00 C ATOM 0 H LEU A 52 84.887 9.630 13.571 1.00 0.00 H new ATOM 0 HA LEU A 52 86.343 11.882 14.601 1.00 0.00 H new ATOM 0 HB2 LEU A 52 85.014 11.006 12.221 1.00 0.00 H new ATOM 0 HB3 LEU A 52 84.250 12.517 12.675 1.00 0.00 H new ATOM 0 HG LEU A 52 86.138 13.003 11.225 1.00 0.00 H new ATOM 0 HD11 LEU A 52 87.479 14.496 12.689 1.00 0.00 H new ATOM 0 HD12 LEU A 52 85.742 14.602 13.063 1.00 0.00 H new ATOM 0 HD13 LEU A 52 86.825 13.669 14.123 1.00 0.00 H new ATOM 0 HD21 LEU A 52 88.465 12.363 11.836 1.00 0.00 H new ATOM 0 HD22 LEU A 52 87.844 11.465 13.241 1.00 0.00 H new ATOM 0 HD23 LEU A 52 87.436 10.931 11.593 1.00 0.00 H new ATOM 803 N ASP A 53 83.065 12.165 14.822 1.00 0.00 N ATOM 804 CA ASP A 53 81.974 12.789 15.618 1.00 0.00 C ATOM 805 C ASP A 53 81.928 14.283 15.359 1.00 0.00 C ATOM 806 O ASP A 53 82.461 15.082 16.103 1.00 0.00 O ATOM 807 CB ASP A 53 82.219 12.506 17.093 1.00 0.00 C ATOM 808 CG ASP A 53 80.894 12.487 17.865 1.00 0.00 C ATOM 809 OD1 ASP A 53 80.488 11.414 18.280 1.00 0.00 O ATOM 810 OD2 ASP A 53 80.310 13.546 18.026 1.00 0.00 O ATOM 0 H ASP A 53 82.747 11.649 14.001 1.00 0.00 H new ATOM 0 HA ASP A 53 81.013 12.367 15.325 1.00 0.00 H new ATOM 0 HB2 ASP A 53 82.726 11.548 17.206 1.00 0.00 H new ATOM 0 HB3 ASP A 53 82.879 13.267 17.510 1.00 0.00 H new ATOM 815 N VAL A 54 81.295 14.658 14.301 1.00 0.00 N ATOM 816 CA VAL A 54 81.206 16.096 13.967 1.00 0.00 C ATOM 817 C VAL A 54 80.236 16.292 12.802 1.00 0.00 C ATOM 818 O VAL A 54 80.188 15.505 11.878 1.00 0.00 O ATOM 819 CB VAL A 54 82.607 16.579 13.600 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.237 15.586 12.626 1.00 0.00 C ATOM 821 CG2 VAL A 54 82.541 17.973 12.965 1.00 0.00 C ATOM 0 H VAL A 54 80.831 14.029 13.646 1.00 0.00 H new ATOM 0 HA VAL A 54 80.832 16.671 14.814 1.00 0.00 H new ATOM 0 HB VAL A 54 83.216 16.643 14.502 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.238 15.924 12.359 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.299 14.605 13.096 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.624 15.520 11.727 1.00 0.00 H new ATOM 0 HG21 VAL A 54 83.547 18.304 12.709 1.00 0.00 H new ATOM 0 HG22 VAL A 54 81.931 17.933 12.062 1.00 0.00 H new ATOM 0 HG23 VAL A 54 82.097 18.674 13.672 1.00 0.00 H new ATOM 831 N LYS A 55 79.460 17.340 12.844 1.00 0.00 N ATOM 832 CA LYS A 55 78.487 17.598 11.748 1.00 0.00 C ATOM 833 C LYS A 55 79.244 17.938 10.453 1.00 0.00 C ATOM 834 O LYS A 55 78.778 18.714 9.643 1.00 0.00 O ATOM 835 CB LYS A 55 77.582 18.768 12.147 1.00 0.00 C ATOM 836 CG LYS A 55 76.291 18.748 11.307 1.00 0.00 C ATOM 837 CD LYS A 55 75.278 17.723 11.861 1.00 0.00 C ATOM 838 CE LYS A 55 73.867 18.079 11.381 1.00 0.00 C ATOM 839 NZ LYS A 55 72.964 16.911 11.585 1.00 0.00 N ATOM 0 H LYS A 55 79.459 18.031 13.594 1.00 0.00 H new ATOM 0 HA LYS A 55 77.879 16.709 11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 55 77.337 18.703 13.207 1.00 0.00 H new ATOM 0 HB3 LYS A 55 78.107 19.711 11.999 1.00 0.00 H new ATOM 0 HG2 LYS A 55 75.842 19.741 11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.531 18.503 10.273 1.00 0.00 H new ATOM 0 HD2 LYS A 55 75.543 16.719 11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.311 17.717 12.950 1.00 0.00 H new ATOM 0 HE2 LYS A 55 73.492 18.943 11.930 1.00 0.00 H new ATOM 0 HE3 LYS A 55 73.889 18.356 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 71.982 17.242 11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.040 16.267 10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 73.239 16.407 12.452 1.00 0.00 H new ATOM 853 N LYS A 56 80.409 17.367 10.246 1.00 0.00 N ATOM 854 CA LYS A 56 81.170 17.676 8.996 1.00 0.00 C ATOM 855 C LYS A 56 80.582 16.881 7.829 1.00 0.00 C ATOM 856 O LYS A 56 80.225 15.729 7.965 1.00 0.00 O ATOM 857 CB LYS A 56 82.655 17.316 9.175 1.00 0.00 C ATOM 858 CG LYS A 56 83.395 17.438 7.825 1.00 0.00 C ATOM 859 CD LYS A 56 84.909 17.680 8.035 1.00 0.00 C ATOM 860 CE LYS A 56 85.643 16.352 8.272 1.00 0.00 C ATOM 861 NZ LYS A 56 85.375 15.422 7.138 1.00 0.00 N ATOM 0 H LYS A 56 80.860 16.708 10.881 1.00 0.00 H new ATOM 0 HA LYS A 56 81.090 18.743 8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.112 17.978 9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.748 16.300 9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.247 16.528 7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 56 82.970 18.259 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 56 85.327 18.181 7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.062 18.343 8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 56 86.715 16.529 8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 56 85.312 15.904 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 84.739 14.662 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 84.928 15.945 6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 86.271 15.009 6.809 1.00 0.00 H new ATOM 875 N ASP A 57 80.480 17.492 6.683 1.00 0.00 N ATOM 876 CA ASP A 57 79.914 16.783 5.501 1.00 0.00 C ATOM 877 C ASP A 57 80.611 15.432 5.339 1.00 0.00 C ATOM 878 O ASP A 57 81.809 15.366 5.147 1.00 0.00 O ATOM 879 CB ASP A 57 80.143 17.630 4.249 1.00 0.00 C ATOM 880 CG ASP A 57 79.163 18.806 4.236 1.00 0.00 C ATOM 881 OD1 ASP A 57 77.974 18.562 4.360 1.00 0.00 O ATOM 882 OD2 ASP A 57 79.618 19.930 4.100 1.00 0.00 O ATOM 0 H ASP A 57 80.765 18.456 6.513 1.00 0.00 H new ATOM 0 HA ASP A 57 78.845 16.624 5.644 1.00 0.00 H new ATOM 0 HB2 ASP A 57 81.169 17.998 4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 57 80.007 17.020 3.356 1.00 0.00 H new ATOM 887 N TRP A 58 79.870 14.351 5.429 1.00 0.00 N ATOM 888 CA TRP A 58 80.475 12.993 5.301 1.00 0.00 C ATOM 889 C TRP A 58 79.872 12.250 4.107 1.00 0.00 C ATOM 890 O TRP A 58 80.458 11.346 3.577 1.00 0.00 O ATOM 891 CB TRP A 58 80.166 12.210 6.570 1.00 0.00 C ATOM 892 CG TRP A 58 80.987 12.744 7.703 1.00 0.00 C ATOM 893 CD1 TRP A 58 80.477 13.280 8.836 1.00 0.00 C ATOM 894 CD2 TRP A 58 82.441 12.814 7.836 1.00 0.00 C ATOM 895 NE1 TRP A 58 81.520 13.684 9.649 1.00 0.00 N ATOM 896 CE2 TRP A 58 82.747 13.418 9.079 1.00 0.00 C ATOM 897 CE3 TRP A 58 83.516 12.421 7.012 1.00 0.00 C ATOM 898 CZ2 TRP A 58 84.063 13.628 9.487 1.00 0.00 C ATOM 899 CZ3 TRP A 58 84.841 12.631 7.423 1.00 0.00 C ATOM 900 CH2 TRP A 58 85.115 13.234 8.655 1.00 0.00 C ATOM 0 H TRP A 58 78.862 14.356 5.587 1.00 0.00 H new ATOM 0 HA TRP A 58 81.550 13.089 5.152 1.00 0.00 H new ATOM 0 HB2 TRP A 58 79.105 12.288 6.808 1.00 0.00 H new ATOM 0 HB3 TRP A 58 80.382 11.152 6.418 1.00 0.00 H new ATOM 0 HD1 TRP A 58 79.427 13.377 9.068 1.00 0.00 H new ATOM 0 HE1 TRP A 58 81.397 14.125 10.560 1.00 0.00 H new ATOM 0 HE3 TRP A 58 83.318 11.955 6.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 84.269 14.092 10.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 85.655 12.325 6.783 1.00 0.00 H new ATOM 0 HH2 TRP A 58 86.138 13.395 8.963 1.00 0.00 H new ATOM 911 N SER A 59 78.703 12.608 3.695 1.00 0.00 N ATOM 912 CA SER A 59 78.068 11.895 2.540 1.00 0.00 C ATOM 913 C SER A 59 79.090 11.698 1.416 1.00 0.00 C ATOM 914 O SER A 59 79.312 10.599 0.946 1.00 0.00 O ATOM 915 CB SER A 59 76.893 12.725 2.014 1.00 0.00 C ATOM 916 OG SER A 59 76.839 12.643 0.594 1.00 0.00 O ATOM 0 H SER A 59 78.148 13.362 4.099 1.00 0.00 H new ATOM 0 HA SER A 59 77.713 10.921 2.876 1.00 0.00 H new ATOM 0 HB2 SER A 59 75.959 12.362 2.444 1.00 0.00 H new ATOM 0 HB3 SER A 59 77.004 13.764 2.323 1.00 0.00 H new ATOM 0 HG SER A 59 76.085 13.174 0.264 1.00 0.00 H new ATOM 922 N ASP A 60 79.703 12.756 0.982 1.00 0.00 N ATOM 923 CA ASP A 60 80.703 12.649 -0.112 1.00 0.00 C ATOM 924 C ASP A 60 81.848 11.718 0.310 1.00 0.00 C ATOM 925 O ASP A 60 82.755 11.453 -0.453 1.00 0.00 O ATOM 926 CB ASP A 60 81.255 14.043 -0.396 1.00 0.00 C ATOM 927 CG ASP A 60 82.278 13.975 -1.532 1.00 0.00 C ATOM 928 OD1 ASP A 60 82.312 12.963 -2.212 1.00 0.00 O ATOM 929 OD2 ASP A 60 83.005 14.938 -1.705 1.00 0.00 O ATOM 0 H ASP A 60 79.554 13.699 1.340 1.00 0.00 H new ATOM 0 HA ASP A 60 80.232 12.239 -1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 60 80.443 14.718 -0.666 1.00 0.00 H new ATOM 0 HB3 ASP A 60 81.721 14.449 0.502 1.00 0.00 H new ATOM 934 N HIS A 61 81.820 11.228 1.520 1.00 0.00 N ATOM 935 CA HIS A 61 82.913 10.329 1.985 1.00 0.00 C ATOM 936 C HIS A 61 82.770 8.936 1.367 1.00 0.00 C ATOM 937 O HIS A 61 81.689 8.466 1.076 1.00 0.00 O ATOM 938 CB HIS A 61 82.899 10.238 3.523 1.00 0.00 C ATOM 939 CG HIS A 61 81.830 9.277 4.002 1.00 0.00 C ATOM 940 ND1 HIS A 61 80.800 8.858 3.179 1.00 0.00 N ATOM 941 CD2 HIS A 61 81.615 8.652 5.208 1.00 0.00 C ATOM 942 CE1 HIS A 61 80.027 8.019 3.885 1.00 0.00 C ATOM 943 NE2 HIS A 61 80.477 7.858 5.129 1.00 0.00 N ATOM 0 H HIS A 61 81.088 11.412 2.206 1.00 0.00 H new ATOM 0 HA HIS A 61 83.867 10.746 1.663 1.00 0.00 H new ATOM 0 HB2 HIS A 61 83.875 9.909 3.880 1.00 0.00 H new ATOM 0 HB3 HIS A 61 82.721 11.226 3.947 1.00 0.00 H new ATOM 0 HD1 HIS A 61 80.654 9.137 2.209 1.00 0.00 H new ATOM 0 HD2 HIS A 61 82.237 8.762 6.084 1.00 0.00 H new ATOM 0 HE1 HIS A 61 79.146 7.533 3.492 1.00 0.00 H new ATOM 951 N ALA A 62 83.870 8.280 1.166 1.00 0.00 N ATOM 952 CA ALA A 62 83.837 6.916 0.586 1.00 0.00 C ATOM 953 C ALA A 62 85.244 6.331 0.675 1.00 0.00 C ATOM 954 O ALA A 62 86.223 7.056 0.655 1.00 0.00 O ATOM 955 CB ALA A 62 83.368 6.978 -0.871 1.00 0.00 C ATOM 0 H ALA A 62 84.802 8.634 1.381 1.00 0.00 H new ATOM 0 HA ALA A 62 83.139 6.284 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 62 83.347 5.972 -1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 62 82.368 7.410 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 62 84.055 7.597 -1.448 1.00 0.00 H new ATOM 961 N LEU A 63 85.366 5.036 0.777 1.00 0.00 N ATOM 962 CA LEU A 63 86.725 4.428 0.869 1.00 0.00 C ATOM 963 C LEU A 63 87.156 4.020 -0.532 1.00 0.00 C ATOM 964 O LEU A 63 86.352 3.601 -1.342 1.00 0.00 O ATOM 965 CB LEU A 63 86.711 3.168 1.748 1.00 0.00 C ATOM 966 CG LEU A 63 86.319 3.467 3.209 1.00 0.00 C ATOM 967 CD1 LEU A 63 87.446 4.225 3.916 1.00 0.00 C ATOM 968 CD2 LEU A 63 85.016 4.282 3.292 1.00 0.00 C ATOM 0 H LEU A 63 84.589 4.375 0.801 1.00 0.00 H new ATOM 0 HA LEU A 63 87.407 5.156 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 63 86.011 2.445 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 63 87.698 2.705 1.728 1.00 0.00 H new ATOM 0 HG LEU A 63 86.154 2.511 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 63 87.156 4.430 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 63 88.353 3.620 3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 63 87.633 5.166 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 63 84.772 4.473 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 63 85.146 5.230 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 63 84.205 3.721 2.827 1.00 0.00 H new ATOM 980 N TRP A 64 88.420 4.144 -0.823 1.00 0.00 N ATOM 981 CA TRP A 64 88.934 3.769 -2.182 1.00 0.00 C ATOM 982 C TRP A 64 90.129 2.824 -1.999 1.00 0.00 C ATOM 983 O TRP A 64 90.894 2.950 -1.066 1.00 0.00 O ATOM 984 CB TRP A 64 89.284 5.086 -2.941 1.00 0.00 C ATOM 985 CG TRP A 64 90.731 5.200 -3.335 1.00 0.00 C ATOM 986 CD1 TRP A 64 91.791 5.130 -2.497 1.00 0.00 C ATOM 987 CD2 TRP A 64 91.279 5.460 -4.661 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.952 5.298 -3.229 1.00 0.00 N ATOM 989 CE2 TRP A 64 92.688 5.509 -4.566 1.00 0.00 C ATOM 990 CE3 TRP A 64 90.693 5.646 -5.926 1.00 0.00 C ATOM 991 CZ2 TRP A 64 93.490 5.738 -5.686 1.00 0.00 C ATOM 992 CZ3 TRP A 64 91.496 5.880 -7.055 1.00 0.00 C ATOM 993 CH2 TRP A 64 92.891 5.926 -6.935 1.00 0.00 C ATOM 0 H TRP A 64 89.129 4.491 -0.177 1.00 0.00 H new ATOM 0 HA TRP A 64 88.197 3.235 -2.782 1.00 0.00 H new ATOM 0 HB2 TRP A 64 88.668 5.151 -3.838 1.00 0.00 H new ATOM 0 HB3 TRP A 64 89.022 5.936 -2.312 1.00 0.00 H new ATOM 0 HD1 TRP A 64 91.739 4.969 -1.430 1.00 0.00 H new ATOM 0 HE1 TRP A 64 93.890 5.269 -2.829 1.00 0.00 H new ATOM 0 HE3 TRP A 64 89.619 5.609 -6.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 94.565 5.770 -5.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 91.035 6.025 -8.021 1.00 0.00 H new ATOM 0 HH2 TRP A 64 93.503 6.106 -7.806 1.00 0.00 H new ATOM 1004 N TRP A 65 90.267 1.846 -2.858 1.00 0.00 N ATOM 1005 CA TRP A 65 91.395 0.869 -2.720 1.00 0.00 C ATOM 1006 C TRP A 65 92.462 1.202 -3.765 1.00 0.00 C ATOM 1007 O TRP A 65 92.402 0.734 -4.878 1.00 0.00 O ATOM 1008 CB TRP A 65 90.862 -0.553 -2.955 1.00 0.00 C ATOM 1009 CG TRP A 65 91.841 -1.578 -2.450 1.00 0.00 C ATOM 1010 CD1 TRP A 65 93.106 -1.329 -2.030 1.00 0.00 C ATOM 1011 CD2 TRP A 65 91.649 -3.018 -2.311 1.00 0.00 C ATOM 1012 NE1 TRP A 65 93.697 -2.523 -1.654 1.00 0.00 N ATOM 1013 CE2 TRP A 65 92.841 -3.589 -1.809 1.00 0.00 C ATOM 1014 CE3 TRP A 65 90.568 -3.875 -2.574 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 92.959 -4.959 -1.578 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 90.682 -5.258 -2.341 1.00 0.00 C ATOM 1017 CH2 TRP A 65 91.876 -5.796 -1.846 1.00 0.00 C ATOM 0 H TRP A 65 89.647 1.680 -3.651 1.00 0.00 H new ATOM 0 HA TRP A 65 91.828 0.929 -1.721 1.00 0.00 H new ATOM 0 HB2 TRP A 65 89.905 -0.676 -2.448 1.00 0.00 H new ATOM 0 HB3 TRP A 65 90.682 -0.708 -4.019 1.00 0.00 H new ATOM 0 HD1 TRP A 65 93.576 -0.357 -1.995 1.00 0.00 H new ATOM 0 HE1 TRP A 65 94.652 -2.603 -1.304 1.00 0.00 H new ATOM 0 HE3 TRP A 65 89.643 -3.470 -2.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 93.882 -5.369 -1.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 89.844 -5.908 -2.545 1.00 0.00 H new ATOM 0 HH2 TRP A 65 91.958 -6.859 -1.672 1.00 0.00 H new ATOM 1028 N GLU A 66 93.421 2.025 -3.426 1.00 0.00 N ATOM 1029 CA GLU A 66 94.467 2.405 -4.426 1.00 0.00 C ATOM 1030 C GLU A 66 95.139 1.169 -5.019 1.00 0.00 C ATOM 1031 O GLU A 66 95.674 1.225 -6.104 1.00 0.00 O ATOM 1032 CB GLU A 66 95.521 3.300 -3.786 1.00 0.00 C ATOM 1033 CG GLU A 66 96.007 2.680 -2.485 1.00 0.00 C ATOM 1034 CD GLU A 66 96.950 3.651 -1.773 1.00 0.00 C ATOM 1035 OE1 GLU A 66 96.754 3.877 -0.590 1.00 0.00 O ATOM 1036 OE2 GLU A 66 97.853 4.152 -2.423 1.00 0.00 O ATOM 0 H GLU A 66 93.526 2.449 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 66 93.971 2.951 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 66 96.359 3.435 -4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 66 95.103 4.288 -3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 66 95.158 2.446 -1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 66 96.522 1.741 -2.688 1.00 0.00 H new ATOM 1043 N LYS A 67 95.114 0.047 -4.358 1.00 0.00 N ATOM 1044 CA LYS A 67 95.744 -1.143 -4.982 1.00 0.00 C ATOM 1045 C LYS A 67 94.917 -1.428 -6.229 1.00 0.00 C ATOM 1046 O LYS A 67 95.336 -2.091 -7.156 1.00 0.00 O ATOM 1047 CB LYS A 67 95.655 -2.368 -4.079 1.00 0.00 C ATOM 1048 CG LYS A 67 96.626 -2.291 -2.884 1.00 0.00 C ATOM 1049 CD LYS A 67 96.821 -0.861 -2.362 1.00 0.00 C ATOM 1050 CE LYS A 67 97.584 -0.878 -1.014 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.811 -0.041 -1.133 1.00 0.00 N ATOM 0 H LYS A 67 94.697 -0.095 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 67 96.798 -0.949 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 67 94.635 -2.469 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 67 95.872 -3.263 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 67 96.250 -2.919 -2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 67 97.592 -2.699 -3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 67 97.375 -0.272 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 67 95.852 -0.379 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 67 96.946 -0.497 -0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 67 97.852 -1.900 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 99.326 -0.050 -0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 99.421 -0.424 -1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 98.543 0.936 -1.369 1.00 0.00 H new ATOM 1065 N LYS A 68 93.705 -0.931 -6.206 1.00 0.00 N ATOM 1066 CA LYS A 68 92.738 -1.139 -7.319 1.00 0.00 C ATOM 1067 C LYS A 68 92.317 0.221 -7.888 1.00 0.00 C ATOM 1068 O LYS A 68 91.674 0.299 -8.916 1.00 0.00 O ATOM 1069 CB LYS A 68 91.481 -1.866 -6.776 1.00 0.00 C ATOM 1070 CG LYS A 68 91.839 -2.832 -5.629 1.00 0.00 C ATOM 1071 CD LYS A 68 92.438 -4.119 -6.202 1.00 0.00 C ATOM 1072 CE LYS A 68 93.083 -4.943 -5.078 1.00 0.00 C ATOM 1073 NZ LYS A 68 93.037 -6.389 -5.436 1.00 0.00 N ATOM 0 H LYS A 68 93.339 -0.373 -5.435 1.00 0.00 H new ATOM 0 HA LYS A 68 93.206 -1.738 -8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 68 90.759 -1.131 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 68 91.002 -2.420 -7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 68 92.550 -2.359 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 68 90.948 -3.063 -5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 68 91.661 -4.704 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 68 93.183 -3.877 -6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 68 94.115 -4.627 -4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 68 92.557 -4.773 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 93.473 -6.949 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 92.048 -6.685 -5.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 93.558 -6.544 -6.323 1.00 0.00 H new ATOM 1087 N ARG A 69 92.637 1.291 -7.205 1.00 0.00 N ATOM 1088 CA ARG A 69 92.217 2.637 -7.684 1.00 0.00 C ATOM 1089 C ARG A 69 90.713 2.585 -7.917 1.00 0.00 C ATOM 1090 O ARG A 69 90.215 3.005 -8.943 1.00 0.00 O ATOM 1091 CB ARG A 69 92.930 2.994 -9.001 1.00 0.00 C ATOM 1092 CG ARG A 69 94.388 3.427 -8.737 1.00 0.00 C ATOM 1093 CD ARG A 69 95.307 2.200 -8.655 1.00 0.00 C ATOM 1094 NE ARG A 69 95.759 1.818 -10.031 1.00 0.00 N ATOM 1095 CZ ARG A 69 95.183 0.840 -10.695 1.00 0.00 C ATOM 1096 NH1 ARG A 69 95.611 0.533 -11.889 1.00 0.00 N ATOM 1097 NH2 ARG A 69 94.188 0.172 -10.176 1.00 0.00 N ATOM 0 H ARG A 69 93.171 1.288 -6.336 1.00 0.00 H new ATOM 0 HA ARG A 69 92.478 3.396 -6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 69 92.917 2.134 -9.671 1.00 0.00 H new ATOM 0 HB3 ARG A 69 92.393 3.798 -9.504 1.00 0.00 H new ATOM 0 HG2 ARG A 69 94.727 4.090 -9.533 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.443 3.993 -7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 69 96.170 2.420 -8.026 1.00 0.00 H new ATOM 0 HD3 ARG A 69 94.778 1.367 -8.191 1.00 0.00 H new ATOM 0 HE ARG A 69 96.530 2.327 -10.462 1.00 0.00 H new ATOM 0 HH11 ARG A 69 96.387 1.050 -12.301 1.00 0.00 H new ATOM 0 HH12 ARG A 69 95.169 -0.224 -12.410 1.00 0.00 H new ATOM 0 HH21 ARG A 69 93.848 0.406 -9.243 1.00 0.00 H new ATOM 0 HH22 ARG A 69 93.751 -0.584 -10.703 1.00 0.00 H new ATOM 1111 N THR A 70 89.989 2.038 -6.971 1.00 0.00 N ATOM 1112 CA THR A 70 88.510 1.909 -7.118 1.00 0.00 C ATOM 1113 C THR A 70 87.804 2.789 -6.098 1.00 0.00 C ATOM 1114 O THR A 70 88.423 3.508 -5.352 1.00 0.00 O ATOM 1115 CB THR A 70 88.132 0.444 -6.865 1.00 0.00 C ATOM 1116 OG1 THR A 70 86.827 0.196 -7.367 1.00 0.00 O ATOM 1117 CG2 THR A 70 88.176 0.124 -5.363 1.00 0.00 C ATOM 0 H THR A 70 90.365 1.673 -6.096 1.00 0.00 H new ATOM 0 HA THR A 70 88.209 2.220 -8.119 1.00 0.00 H new ATOM 0 HB THR A 70 88.851 -0.195 -7.378 1.00 0.00 H new ATOM 0 HG1 THR A 70 86.587 -0.741 -7.206 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.905 -0.920 -5.205 1.00 0.00 H new ATOM 0 HG22 THR A 70 89.183 0.299 -4.983 1.00 0.00 H new ATOM 0 HG23 THR A 70 87.472 0.766 -4.833 1.00 0.00 H new ATOM 1125 N TRP A 71 86.508 2.680 -6.040 1.00 0.00 N ATOM 1126 CA TRP A 71 85.707 3.444 -5.045 1.00 0.00 C ATOM 1127 C TRP A 71 84.817 2.434 -4.336 1.00 0.00 C ATOM 1128 O TRP A 71 83.795 2.014 -4.828 1.00 0.00 O ATOM 1129 CB TRP A 71 84.876 4.539 -5.729 1.00 0.00 C ATOM 1130 CG TRP A 71 84.349 4.095 -7.060 1.00 0.00 C ATOM 1131 CD1 TRP A 71 84.178 2.814 -7.470 1.00 0.00 C ATOM 1132 CD2 TRP A 71 83.902 4.934 -8.166 1.00 0.00 C ATOM 1133 NE1 TRP A 71 83.646 2.820 -8.735 1.00 0.00 N ATOM 1134 CE2 TRP A 71 83.464 4.099 -9.216 1.00 0.00 C ATOM 1135 CE3 TRP A 71 83.836 6.327 -8.354 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 82.975 4.622 -10.414 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 83.346 6.858 -9.559 1.00 0.00 C ATOM 1138 CH2 TRP A 71 82.917 6.007 -10.587 1.00 0.00 C ATOM 0 H TRP A 71 85.958 2.080 -6.654 1.00 0.00 H new ATOM 0 HA TRP A 71 86.354 3.955 -4.332 1.00 0.00 H new ATOM 0 HB2 TRP A 71 84.043 4.818 -5.084 1.00 0.00 H new ATOM 0 HB3 TRP A 71 85.489 5.430 -5.861 1.00 0.00 H new ATOM 0 HD1 TRP A 71 84.421 1.933 -6.895 1.00 0.00 H new ATOM 0 HE1 TRP A 71 83.412 1.976 -9.258 1.00 0.00 H new ATOM 0 HE3 TRP A 71 84.164 6.991 -7.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 82.644 3.961 -11.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 83.300 7.929 -9.694 1.00 0.00 H new ATOM 0 HH2 TRP A 71 82.542 6.421 -11.511 1.00 0.00 H new ATOM 1149 N LEU A 72 85.224 2.005 -3.190 1.00 0.00 N ATOM 1150 CA LEU A 72 84.438 0.973 -2.484 1.00 0.00 C ATOM 1151 C LEU A 72 83.045 1.494 -2.181 1.00 0.00 C ATOM 1152 O LEU A 72 82.774 2.109 -1.171 1.00 0.00 O ATOM 1153 CB LEU A 72 85.164 0.566 -1.211 1.00 0.00 C ATOM 1154 CG LEU A 72 86.604 0.173 -1.554 1.00 0.00 C ATOM 1155 CD1 LEU A 72 87.447 0.159 -0.287 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.646 -1.211 -2.215 1.00 0.00 C ATOM 0 H LEU A 72 86.066 2.322 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 72 84.334 0.093 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 72 85.160 1.390 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.650 -0.270 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 72 87.006 0.906 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.471 -0.121 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.441 1.151 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 72 87.034 -0.563 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.678 -1.471 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 72 86.232 -1.953 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 72 86.058 -1.194 -3.133 1.00 0.00 H new ATOM 1168 N LEU A 73 82.165 1.217 -3.090 1.00 0.00 N ATOM 1169 CA LEU A 73 80.735 1.626 -2.968 1.00 0.00 C ATOM 1170 C LEU A 73 79.869 0.374 -3.132 1.00 0.00 C ATOM 1171 O LEU A 73 78.657 0.442 -3.179 1.00 0.00 O ATOM 1172 CB LEU A 73 80.383 2.670 -4.052 1.00 0.00 C ATOM 1173 CG LEU A 73 80.800 2.187 -5.473 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.614 1.526 -6.196 1.00 0.00 C ATOM 1175 CD2 LEU A 73 81.264 3.385 -6.314 1.00 0.00 C ATOM 0 H LEU A 73 82.380 0.706 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 73 80.555 2.081 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.311 2.866 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 73 80.883 3.612 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 73 81.607 1.463 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.929 1.197 -7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 73 79.270 0.667 -5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.801 2.246 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 73 81.555 3.042 -7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.450 4.104 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 73 82.117 3.860 -5.830 1.00 0.00 H new ATOM 1187 N LYS A 74 80.495 -0.774 -3.211 1.00 0.00 N ATOM 1188 CA LYS A 74 79.729 -2.045 -3.362 1.00 0.00 C ATOM 1189 C LYS A 74 79.255 -2.497 -1.973 1.00 0.00 C ATOM 1190 O LYS A 74 79.278 -3.667 -1.642 1.00 0.00 O ATOM 1191 CB LYS A 74 80.641 -3.124 -3.985 1.00 0.00 C ATOM 1192 CG LYS A 74 80.586 -3.059 -5.520 1.00 0.00 C ATOM 1193 CD LYS A 74 81.060 -1.690 -6.019 1.00 0.00 C ATOM 1194 CE LYS A 74 82.509 -1.433 -5.585 1.00 0.00 C ATOM 1195 NZ LYS A 74 83.288 -2.702 -5.635 1.00 0.00 N ATOM 0 H LYS A 74 81.509 -0.884 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 74 78.868 -1.892 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.667 -2.980 -3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 74 80.329 -4.112 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 74 81.212 -3.844 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 74 79.567 -3.244 -5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 74 80.986 -1.647 -7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 74 80.412 -0.908 -5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 74 82.967 -0.690 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 74 82.528 -1.025 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 83.497 -3.019 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 82.732 -3.431 -6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 84.179 -2.543 -6.147 1.00 0.00 H new ATOM 1209 N THR A 75 78.834 -1.575 -1.155 1.00 0.00 N ATOM 1210 CA THR A 75 78.369 -1.940 0.212 1.00 0.00 C ATOM 1211 C THR A 75 77.428 -3.148 0.144 1.00 0.00 C ATOM 1212 O THR A 75 77.134 -3.775 1.142 1.00 0.00 O ATOM 1213 CB THR A 75 77.618 -0.756 0.817 1.00 0.00 C ATOM 1214 OG1 THR A 75 76.326 -0.673 0.233 1.00 0.00 O ATOM 1215 CG2 THR A 75 78.387 0.544 0.544 1.00 0.00 C ATOM 0 H THR A 75 78.792 -0.580 -1.375 1.00 0.00 H new ATOM 0 HA THR A 75 79.232 -2.193 0.828 1.00 0.00 H new ATOM 0 HB THR A 75 77.527 -0.898 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.767 -0.064 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 75 77.846 1.385 0.978 1.00 0.00 H new ATOM 0 HG22 THR A 75 79.379 0.481 0.991 1.00 0.00 H new ATOM 0 HG23 THR A 75 78.483 0.691 -0.532 1.00 0.00 H new ATOM 1223 N HIS A 76 76.941 -3.470 -1.024 1.00 0.00 N ATOM 1224 CA HIS A 76 76.007 -4.626 -1.152 1.00 0.00 C ATOM 1225 C HIS A 76 76.789 -5.941 -1.154 1.00 0.00 C ATOM 1226 O HIS A 76 76.515 -6.831 -1.935 1.00 0.00 O ATOM 1227 CB HIS A 76 75.226 -4.502 -2.461 1.00 0.00 C ATOM 1228 CG HIS A 76 74.243 -3.369 -2.354 1.00 0.00 C ATOM 1229 ND1 HIS A 76 74.616 -2.105 -1.925 1.00 0.00 N ATOM 1230 CD2 HIS A 76 72.898 -3.295 -2.615 1.00 0.00 C ATOM 1231 CE1 HIS A 76 73.515 -1.331 -1.941 1.00 0.00 C ATOM 1232 NE2 HIS A 76 72.440 -2.008 -2.354 1.00 0.00 N ATOM 0 H HIS A 76 77.149 -2.983 -1.895 1.00 0.00 H new ATOM 0 HA HIS A 76 75.320 -4.622 -0.306 1.00 0.00 H new ATOM 0 HB2 HIS A 76 75.911 -4.326 -3.290 1.00 0.00 H new ATOM 0 HB3 HIS A 76 74.701 -5.434 -2.673 1.00 0.00 H new ATOM 0 HD2 HIS A 76 72.287 -4.112 -2.969 1.00 0.00 H new ATOM 0 HE1 HIS A 76 73.502 -0.290 -1.655 1.00 0.00 H new ATOM 0 HE2 HIS A 76 71.488 -1.657 -2.456 1.00 0.00 H new ATOM 1240 N TRP A 77 77.758 -6.079 -0.289 1.00 0.00 N ATOM 1241 CA TRP A 77 78.544 -7.346 -0.251 1.00 0.00 C ATOM 1242 C TRP A 77 79.562 -7.260 0.912 1.00 0.00 C ATOM 1243 O TRP A 77 79.230 -6.744 1.960 1.00 0.00 O ATOM 1244 CB TRP A 77 79.225 -7.547 -1.623 1.00 0.00 C ATOM 1245 CG TRP A 77 78.718 -8.795 -2.289 1.00 0.00 C ATOM 1246 CD1 TRP A 77 78.143 -8.845 -3.512 1.00 0.00 C ATOM 1247 CD2 TRP A 77 78.730 -10.162 -1.786 1.00 0.00 C ATOM 1248 NE1 TRP A 77 77.801 -10.156 -3.792 1.00 0.00 N ATOM 1249 CE2 TRP A 77 78.143 -11.005 -2.757 1.00 0.00 C ATOM 1250 CE3 TRP A 77 79.189 -10.745 -0.591 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 78.016 -12.380 -2.552 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 79.063 -12.128 -0.380 1.00 0.00 C ATOM 1253 CH2 TRP A 77 78.477 -12.943 -1.359 1.00 0.00 C ATOM 0 H TRP A 77 78.038 -5.372 0.391 1.00 0.00 H new ATOM 0 HA TRP A 77 77.906 -8.211 -0.070 1.00 0.00 H new ATOM 0 HB2 TRP A 77 79.032 -6.684 -2.261 1.00 0.00 H new ATOM 0 HB3 TRP A 77 80.305 -7.611 -1.493 1.00 0.00 H new ATOM 0 HD1 TRP A 77 77.978 -8.000 -4.164 1.00 0.00 H new ATOM 0 HE1 TRP A 77 77.352 -10.459 -4.656 1.00 0.00 H new ATOM 0 HE3 TRP A 77 79.641 -10.125 0.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 77.565 -13.004 -3.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 79.419 -12.566 0.541 1.00 0.00 H new ATOM 0 HH2 TRP A 77 78.382 -14.006 -1.191 1.00 0.00 H new ATOM 1264 N THR A 78 80.782 -7.766 0.785 1.00 0.00 N ATOM 1265 CA THR A 78 81.711 -7.678 1.951 1.00 0.00 C ATOM 1266 C THR A 78 83.175 -7.654 1.495 1.00 0.00 C ATOM 1267 O THR A 78 83.513 -7.974 0.379 1.00 0.00 O ATOM 1268 CB THR A 78 81.451 -8.904 2.870 1.00 0.00 C ATOM 1269 OG1 THR A 78 80.360 -9.647 2.350 1.00 0.00 O ATOM 1270 CG2 THR A 78 81.114 -8.471 4.302 1.00 0.00 C ATOM 0 H THR A 78 81.154 -8.219 -0.050 1.00 0.00 H new ATOM 0 HA THR A 78 81.527 -6.751 2.493 1.00 0.00 H new ATOM 0 HB THR A 78 82.358 -9.508 2.897 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.190 -10.423 2.923 1.00 0.00 H new ATOM 0 HG21 THR A 78 80.938 -9.354 4.917 1.00 0.00 H new ATOM 0 HG22 THR A 78 81.946 -7.901 4.715 1.00 0.00 H new ATOM 0 HG23 THR A 78 80.218 -7.851 4.293 1.00 0.00 H new ATOM 1278 N LEU A 79 84.041 -7.304 2.399 1.00 0.00 N ATOM 1279 CA LEU A 79 85.504 -7.270 2.110 1.00 0.00 C ATOM 1280 C LEU A 79 85.859 -8.544 1.354 1.00 0.00 C ATOM 1281 O LEU A 79 86.350 -8.527 0.246 1.00 0.00 O ATOM 1282 CB LEU A 79 86.275 -7.285 3.439 1.00 0.00 C ATOM 1283 CG LEU A 79 86.280 -5.912 4.121 1.00 0.00 C ATOM 1284 CD1 LEU A 79 84.867 -5.349 4.188 1.00 0.00 C ATOM 1285 CD2 LEU A 79 86.796 -6.083 5.552 1.00 0.00 C ATOM 0 H LEU A 79 83.793 -7.033 3.351 1.00 0.00 H new ATOM 0 HA LEU A 79 85.756 -6.380 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 79 85.828 -8.020 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 79 87.302 -7.603 3.258 1.00 0.00 H new ATOM 0 HG LEU A 79 86.914 -5.232 3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 79 84.887 -4.374 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 79 84.469 -5.243 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 79 84.232 -6.027 4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 79 86.806 -5.115 6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 79 86.143 -6.766 6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 79 87.807 -6.490 5.528 1.00 0.00 H new ATOM 1297 N ASP A 80 85.593 -9.648 1.981 1.00 0.00 N ATOM 1298 CA ASP A 80 85.879 -10.972 1.377 1.00 0.00 C ATOM 1299 C ASP A 80 85.414 -11.027 -0.073 1.00 0.00 C ATOM 1300 O ASP A 80 86.033 -11.655 -0.908 1.00 0.00 O ATOM 1301 CB ASP A 80 85.106 -12.015 2.168 1.00 0.00 C ATOM 1302 CG ASP A 80 85.662 -13.410 1.875 1.00 0.00 C ATOM 1303 OD1 ASP A 80 84.922 -14.222 1.347 1.00 0.00 O ATOM 1304 OD2 ASP A 80 86.820 -13.640 2.183 1.00 0.00 O ATOM 0 H ASP A 80 85.178 -9.689 2.912 1.00 0.00 H new ATOM 0 HA ASP A 80 86.953 -11.154 1.403 1.00 0.00 H new ATOM 0 HB2 ASP A 80 85.178 -11.802 3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 80 84.049 -11.973 1.906 1.00 0.00 H new ATOM 1309 N LYS A 81 84.313 -10.408 -0.377 1.00 0.00 N ATOM 1310 CA LYS A 81 83.815 -10.473 -1.763 1.00 0.00 C ATOM 1311 C LYS A 81 84.844 -9.812 -2.682 1.00 0.00 C ATOM 1312 O LYS A 81 85.057 -10.260 -3.791 1.00 0.00 O ATOM 1313 CB LYS A 81 82.384 -9.861 -1.822 1.00 0.00 C ATOM 1314 CG LYS A 81 82.214 -8.836 -2.957 1.00 0.00 C ATOM 1315 CD LYS A 81 82.725 -7.463 -2.517 1.00 0.00 C ATOM 1316 CE LYS A 81 82.131 -6.379 -3.411 1.00 0.00 C ATOM 1317 NZ LYS A 81 82.925 -5.126 -3.270 1.00 0.00 N ATOM 0 H LYS A 81 83.743 -9.865 0.272 1.00 0.00 H new ATOM 0 HA LYS A 81 83.707 -11.498 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 81 81.657 -10.663 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 81 82.161 -9.380 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 81 82.760 -9.168 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 81 81.163 -8.767 -3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 81 82.453 -7.280 -1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 81 83.813 -7.436 -2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 81 82.133 -6.708 -4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 81 81.092 -6.196 -3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 82.630 -4.444 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 82.765 -4.718 -2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 83.936 -5.341 -3.387 1.00 0.00 H new ATOM 1331 N TYR A 82 85.502 -8.771 -2.237 1.00 0.00 N ATOM 1332 CA TYR A 82 86.535 -8.125 -3.118 1.00 0.00 C ATOM 1333 C TYR A 82 87.899 -8.749 -2.803 1.00 0.00 C ATOM 1334 O TYR A 82 88.696 -8.986 -3.689 1.00 0.00 O ATOM 1335 CB TYR A 82 86.571 -6.588 -2.892 1.00 0.00 C ATOM 1336 CG TYR A 82 86.451 -5.860 -4.225 1.00 0.00 C ATOM 1337 CD1 TYR A 82 87.520 -5.099 -4.715 1.00 0.00 C ATOM 1338 CD2 TYR A 82 85.271 -5.956 -4.970 1.00 0.00 C ATOM 1339 CE1 TYR A 82 87.407 -4.436 -5.943 1.00 0.00 C ATOM 1340 CE2 TYR A 82 85.157 -5.293 -6.197 1.00 0.00 C ATOM 1341 CZ TYR A 82 86.224 -4.533 -6.684 1.00 0.00 C ATOM 1342 OH TYR A 82 86.112 -3.880 -7.894 1.00 0.00 O ATOM 0 H TYR A 82 85.376 -8.343 -1.320 1.00 0.00 H new ATOM 0 HA TYR A 82 86.282 -8.295 -4.165 1.00 0.00 H new ATOM 0 HB2 TYR A 82 85.756 -6.291 -2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 82 87.501 -6.307 -2.398 1.00 0.00 H new ATOM 0 HD1 TYR A 82 88.434 -5.023 -4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 82 84.445 -6.544 -4.597 1.00 0.00 H new ATOM 0 HE1 TYR A 82 88.233 -3.850 -6.318 1.00 0.00 H new ATOM 0 HE2 TYR A 82 84.244 -5.369 -6.768 1.00 0.00 H new ATOM 0 HH TYR A 82 85.227 -4.053 -8.278 1.00 0.00 H new ATOM 1352 N GLY A 83 88.170 -9.021 -1.547 1.00 0.00 N ATOM 1353 CA GLY A 83 89.483 -9.638 -1.167 1.00 0.00 C ATOM 1354 C GLY A 83 90.247 -8.670 -0.272 1.00 0.00 C ATOM 1355 O GLY A 83 91.421 -8.840 -0.011 1.00 0.00 O ATOM 0 H GLY A 83 87.537 -8.842 -0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.319 -10.582 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.065 -9.864 -2.060 1.00 0.00 H new ATOM 1359 N ILE A 84 89.585 -7.657 0.207 1.00 0.00 N ATOM 1360 CA ILE A 84 90.267 -6.680 1.091 1.00 0.00 C ATOM 1361 C ILE A 84 90.763 -7.415 2.335 1.00 0.00 C ATOM 1362 O ILE A 84 90.253 -8.454 2.699 1.00 0.00 O ATOM 1363 CB ILE A 84 89.271 -5.579 1.476 1.00 0.00 C ATOM 1364 CG1 ILE A 84 88.826 -4.823 0.220 1.00 0.00 C ATOM 1365 CG2 ILE A 84 89.924 -4.578 2.427 1.00 0.00 C ATOM 1366 CD1 ILE A 84 87.524 -4.050 0.501 1.00 0.00 C ATOM 0 H ILE A 84 88.600 -7.465 0.023 1.00 0.00 H new ATOM 0 HA ILE A 84 91.116 -6.223 0.583 1.00 0.00 H new ATOM 0 HB ILE A 84 88.416 -6.048 1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.608 -4.132 -0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.672 -5.524 -0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 84 89.204 -3.803 2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 84 90.249 -5.094 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.786 -4.122 1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 84 87.217 -3.516 -0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.741 -4.750 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.692 -3.336 1.307 1.00 0.00 H new ATOM 1378 N GLN A 85 91.754 -6.880 2.986 1.00 0.00 N ATOM 1379 CA GLN A 85 92.295 -7.537 4.208 1.00 0.00 C ATOM 1380 C GLN A 85 93.284 -6.584 4.888 1.00 0.00 C ATOM 1381 O GLN A 85 93.456 -5.452 4.481 1.00 0.00 O ATOM 1382 CB GLN A 85 93.009 -8.851 3.816 1.00 0.00 C ATOM 1383 CG GLN A 85 92.861 -9.908 4.933 1.00 0.00 C ATOM 1384 CD GLN A 85 91.579 -10.712 4.727 1.00 0.00 C ATOM 1385 OE1 GLN A 85 91.581 -11.924 4.817 1.00 0.00 O ATOM 1386 NE2 GLN A 85 90.479 -10.079 4.451 1.00 0.00 N ATOM 0 H GLN A 85 92.217 -6.010 2.724 1.00 0.00 H new ATOM 0 HA GLN A 85 91.483 -7.770 4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 85 92.589 -9.236 2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.065 -8.655 3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 85 93.723 -10.575 4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 85 92.840 -9.419 5.907 1.00 0.00 H new ATOM 0 HE21 GLN A 85 90.481 -9.062 4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 85 89.613 -10.599 4.309 1.00 0.00 H new ATOM 1395 N ALA A 86 93.932 -7.038 5.918 1.00 0.00 N ATOM 1396 CA ALA A 86 94.909 -6.176 6.633 1.00 0.00 C ATOM 1397 C ALA A 86 96.027 -5.761 5.680 1.00 0.00 C ATOM 1398 O ALA A 86 96.671 -4.748 5.865 1.00 0.00 O ATOM 1399 CB ALA A 86 95.509 -6.974 7.785 1.00 0.00 C ATOM 0 H ALA A 86 93.827 -7.978 6.300 1.00 0.00 H new ATOM 0 HA ALA A 86 94.407 -5.284 7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 86 96.229 -6.355 8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 86 94.716 -7.281 8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 86 96.012 -7.858 7.392 1.00 0.00 H new ATOM 1405 N ASP A 87 96.266 -6.539 4.666 1.00 0.00 N ATOM 1406 CA ASP A 87 97.344 -6.192 3.707 1.00 0.00 C ATOM 1407 C ASP A 87 96.809 -5.159 2.724 1.00 0.00 C ATOM 1408 O ASP A 87 97.527 -4.631 1.899 1.00 0.00 O ATOM 1409 CB ASP A 87 97.769 -7.451 2.952 1.00 0.00 C ATOM 1410 CG ASP A 87 96.526 -8.237 2.529 1.00 0.00 C ATOM 1411 OD1 ASP A 87 95.662 -7.647 1.902 1.00 0.00 O ATOM 1412 OD2 ASP A 87 96.460 -9.415 2.840 1.00 0.00 O ATOM 0 H ASP A 87 95.761 -7.401 4.460 1.00 0.00 H new ATOM 0 HA ASP A 87 98.204 -5.784 4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 87 98.357 -7.181 2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 87 98.406 -8.070 3.585 1.00 0.00 H new ATOM 1417 N ALA A 88 95.540 -4.874 2.810 1.00 0.00 N ATOM 1418 CA ALA A 88 94.922 -3.883 1.892 1.00 0.00 C ATOM 1419 C ALA A 88 94.799 -2.536 2.605 1.00 0.00 C ATOM 1420 O ALA A 88 94.039 -2.394 3.539 1.00 0.00 O ATOM 1421 CB ALA A 88 93.531 -4.387 1.531 1.00 0.00 C ATOM 0 H ALA A 88 94.899 -5.291 3.485 1.00 0.00 H new ATOM 0 HA ALA A 88 95.532 -3.759 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 88 93.051 -3.678 0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.611 -5.357 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 88 92.934 -4.487 2.437 1.00 0.00 H new ATOM 1427 N LYS A 89 95.531 -1.541 2.171 1.00 0.00 N ATOM 1428 CA LYS A 89 95.440 -0.199 2.826 1.00 0.00 C ATOM 1429 C LYS A 89 94.503 0.689 2.022 1.00 0.00 C ATOM 1430 O LYS A 89 94.746 1.015 0.877 1.00 0.00 O ATOM 1431 CB LYS A 89 96.827 0.449 2.916 1.00 0.00 C ATOM 1432 CG LYS A 89 97.894 -0.610 3.210 1.00 0.00 C ATOM 1433 CD LYS A 89 97.684 -1.229 4.600 1.00 0.00 C ATOM 1434 CE LYS A 89 98.501 -2.515 4.703 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.943 -2.209 4.485 1.00 0.00 N ATOM 0 H LYS A 89 96.187 -1.599 1.392 1.00 0.00 H new ATOM 0 HA LYS A 89 95.051 -0.321 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 89 97.059 0.958 1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.831 1.206 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.856 -1.391 2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.885 -0.159 3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 89 97.990 -0.526 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 89 96.627 -1.441 4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 89 98.359 -2.970 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 89 98.156 -3.237 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 100.523 -2.993 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 100.122 -2.087 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 100.192 -1.333 4.988 1.00 0.00 H new ATOM 1449 N LEU A 90 93.423 1.069 2.633 1.00 0.00 N ATOM 1450 CA LEU A 90 92.411 1.936 1.956 1.00 0.00 C ATOM 1451 C LEU A 90 92.601 3.388 2.394 1.00 0.00 C ATOM 1452 O LEU A 90 93.447 3.702 3.199 1.00 0.00 O ATOM 1453 CB LEU A 90 90.988 1.476 2.317 1.00 0.00 C ATOM 1454 CG LEU A 90 90.950 -0.042 2.468 1.00 0.00 C ATOM 1455 CD1 LEU A 90 89.524 -0.479 2.810 1.00 0.00 C ATOM 1456 CD2 LEU A 90 91.389 -0.705 1.158 1.00 0.00 C ATOM 0 H LEU A 90 93.189 0.814 3.592 1.00 0.00 H new ATOM 0 HA LEU A 90 92.548 1.857 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.669 1.950 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 90 90.288 1.790 1.542 1.00 0.00 H new ATOM 0 HG LEU A 90 91.628 -0.344 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 90 89.492 -1.563 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 90 89.214 -0.011 3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.849 -0.174 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.360 -1.789 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 90 90.715 -0.406 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.405 -0.393 0.915 1.00 0.00 H new ATOM 1468 N GLN A 91 91.816 4.271 1.851 1.00 0.00 N ATOM 1469 CA GLN A 91 91.900 5.714 2.218 1.00 0.00 C ATOM 1470 C GLN A 91 90.486 6.187 2.550 1.00 0.00 C ATOM 1471 O GLN A 91 89.517 5.510 2.268 1.00 0.00 O ATOM 1472 CB GLN A 91 92.432 6.538 1.041 1.00 0.00 C ATOM 1473 CG GLN A 91 93.750 5.941 0.511 1.00 0.00 C ATOM 1474 CD GLN A 91 93.950 6.356 -0.938 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.795 5.825 -1.630 1.00 0.00 O ATOM 1476 NE2 GLN A 91 93.205 7.297 -1.417 1.00 0.00 N ATOM 0 H GLN A 91 91.104 4.052 1.154 1.00 0.00 H new ATOM 0 HA GLN A 91 92.574 5.842 3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.690 6.562 0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.594 7.569 1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 91 94.587 6.286 1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.726 4.854 0.589 1.00 0.00 H new ATOM 0 HE21 GLN A 91 92.498 7.737 -0.828 1.00 0.00 H new ATOM 0 HE22 GLN A 91 93.324 7.600 -2.384 1.00 0.00 H new ATOM 1485 N PHE A 92 90.361 7.341 3.143 1.00 0.00 N ATOM 1486 CA PHE A 92 89.009 7.878 3.504 1.00 0.00 C ATOM 1487 C PHE A 92 88.964 9.331 3.062 1.00 0.00 C ATOM 1488 O PHE A 92 89.452 10.217 3.735 1.00 0.00 O ATOM 1489 CB PHE A 92 88.834 7.724 5.020 1.00 0.00 C ATOM 1490 CG PHE A 92 87.511 8.270 5.533 1.00 0.00 C ATOM 1491 CD1 PHE A 92 87.500 9.190 6.594 1.00 0.00 C ATOM 1492 CD2 PHE A 92 86.297 7.832 4.986 1.00 0.00 C ATOM 1493 CE1 PHE A 92 86.292 9.670 7.099 1.00 0.00 C ATOM 1494 CE2 PHE A 92 85.088 8.316 5.495 1.00 0.00 C ATOM 1495 CZ PHE A 92 85.087 9.235 6.553 1.00 0.00 C ATOM 0 H PHE A 92 91.143 7.945 3.398 1.00 0.00 H new ATOM 0 HA PHE A 92 88.195 7.344 3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 92 88.909 6.669 5.282 1.00 0.00 H new ATOM 0 HB3 PHE A 92 89.651 8.237 5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 92 88.433 9.528 7.021 1.00 0.00 H new ATOM 0 HD2 PHE A 92 86.295 7.122 4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 92 86.291 10.379 7.914 1.00 0.00 H new ATOM 0 HE2 PHE A 92 84.153 7.981 5.072 1.00 0.00 H new ATOM 0 HZ PHE A 92 84.152 9.606 6.945 1.00 0.00 H new ATOM 1505 N THR A 93 88.429 9.566 1.888 1.00 0.00 N ATOM 1506 CA THR A 93 88.398 10.960 1.326 1.00 0.00 C ATOM 1507 C THR A 93 87.007 11.306 0.768 1.00 0.00 C ATOM 1508 O THR A 93 86.242 10.434 0.406 1.00 0.00 O ATOM 1509 CB THR A 93 89.430 11.041 0.181 1.00 0.00 C ATOM 1510 OG1 THR A 93 88.965 11.931 -0.826 1.00 0.00 O ATOM 1511 CG2 THR A 93 89.636 9.652 -0.436 1.00 0.00 C ATOM 0 H THR A 93 88.011 8.853 1.291 1.00 0.00 H new ATOM 0 HA THR A 93 88.632 11.667 2.121 1.00 0.00 H new ATOM 0 HB THR A 93 90.374 11.405 0.585 1.00 0.00 H new ATOM 0 HG1 THR A 93 89.624 11.980 -1.549 1.00 0.00 H new ATOM 0 HG21 THR A 93 90.366 9.717 -1.243 1.00 0.00 H new ATOM 0 HG22 THR A 93 90.000 8.965 0.328 1.00 0.00 H new ATOM 0 HG23 THR A 93 88.689 9.285 -0.832 1.00 0.00 H new ATOM 1519 N PRO A 94 86.696 12.586 0.679 1.00 0.00 N ATOM 1520 CA PRO A 94 85.390 13.071 0.130 1.00 0.00 C ATOM 1521 C PRO A 94 85.271 12.802 -1.377 1.00 0.00 C ATOM 1522 O PRO A 94 85.735 13.628 -2.145 1.00 0.00 O ATOM 1523 CB PRO A 94 85.414 14.584 0.417 1.00 0.00 C ATOM 1524 CG PRO A 94 86.862 14.935 0.496 1.00 0.00 C ATOM 1525 CD PRO A 94 87.552 13.714 1.100 1.00 0.00 C ATOM 0 HA PRO A 94 84.538 12.563 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 94 84.914 15.144 -0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 94 84.899 14.818 1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 94 87.264 15.163 -0.491 1.00 0.00 H new ATOM 0 HG3 PRO A 94 87.017 15.818 1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 94 88.571 13.605 0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 94 87.615 13.786 2.186 1.00 0.00 H new TER 1533 PRO A 94 ATOM 1534 N TYR B 541 42.579 35.965 9.873 1.00 0.00 N ATOM 1535 CA TYR B 541 42.931 35.205 8.641 1.00 0.00 C ATOM 1536 C TYR B 541 43.977 35.984 7.843 1.00 0.00 C ATOM 1537 O TYR B 541 43.859 36.153 6.645 1.00 0.00 O ATOM 1538 CB TYR B 541 41.678 35.010 7.784 1.00 0.00 C ATOM 1539 CG TYR B 541 40.579 34.409 8.627 1.00 0.00 C ATOM 1540 CD1 TYR B 541 39.738 35.240 9.376 1.00 0.00 C ATOM 1541 CD2 TYR B 541 40.401 33.021 8.659 1.00 0.00 C ATOM 1542 CE1 TYR B 541 38.718 34.683 10.157 1.00 0.00 C ATOM 1543 CE2 TYR B 541 39.382 32.464 9.441 1.00 0.00 C ATOM 1544 CZ TYR B 541 38.540 33.295 10.189 1.00 0.00 C ATOM 1545 OH TYR B 541 37.535 32.747 10.960 1.00 0.00 O ATOM 0 HA TYR B 541 43.336 34.232 8.919 1.00 0.00 H new ATOM 0 HB2 TYR B 541 41.354 35.966 7.373 1.00 0.00 H new ATOM 0 HB3 TYR B 541 41.900 34.358 6.939 1.00 0.00 H new ATOM 0 HD1 TYR B 541 39.876 36.311 9.352 1.00 0.00 H new ATOM 0 HD2 TYR B 541 41.050 32.380 8.081 1.00 0.00 H new ATOM 0 HE1 TYR B 541 38.069 35.324 10.735 1.00 0.00 H new ATOM 0 HE2 TYR B 541 39.246 31.393 9.467 1.00 0.00 H new ATOM 0 HH TYR B 541 37.548 31.771 10.869 1.00 0.00 H new ATOM 1555 N HIS B 542 44.999 36.463 8.496 1.00 0.00 N ATOM 1556 CA HIS B 542 46.048 37.231 7.780 1.00 0.00 C ATOM 1557 C HIS B 542 46.876 36.283 6.908 1.00 0.00 C ATOM 1558 O HIS B 542 46.466 35.903 5.830 1.00 0.00 O ATOM 1559 CB HIS B 542 46.953 37.906 8.808 1.00 0.00 C ATOM 1560 CG HIS B 542 46.168 38.947 9.559 1.00 0.00 C ATOM 1561 ND1 HIS B 542 45.983 40.231 9.068 1.00 0.00 N ATOM 1562 CD2 HIS B 542 45.514 38.909 10.765 1.00 0.00 C ATOM 1563 CE1 HIS B 542 45.245 40.906 9.968 1.00 0.00 C ATOM 1564 NE2 HIS B 542 44.932 40.147 11.022 1.00 0.00 N ATOM 0 H HIS B 542 45.151 36.354 9.499 1.00 0.00 H new ATOM 0 HA HIS B 542 45.585 37.985 7.144 1.00 0.00 H new ATOM 0 HB2 HIS B 542 47.351 37.165 9.501 1.00 0.00 H new ATOM 0 HB3 HIS B 542 47.806 38.367 8.310 1.00 0.00 H new ATOM 0 HD2 HIS B 542 45.459 38.049 11.416 1.00 0.00 H new ATOM 0 HE1 HIS B 542 44.942 41.936 9.852 1.00 0.00 H new ATOM 0 HE2 HIS B 542 44.384 40.417 11.839 1.00 0.00 H new ATOM 1572 N GLU B 543 48.043 35.901 7.364 1.00 0.00 N ATOM 1573 CA GLU B 543 48.903 34.979 6.556 1.00 0.00 C ATOM 1574 C GLU B 543 49.651 34.008 7.480 1.00 0.00 C ATOM 1575 O GLU B 543 50.329 33.115 7.017 1.00 0.00 O ATOM 1576 CB GLU B 543 49.917 35.802 5.756 1.00 0.00 C ATOM 1577 CG GLU B 543 50.554 36.857 6.663 1.00 0.00 C ATOM 1578 CD GLU B 543 51.781 37.452 5.968 1.00 0.00 C ATOM 1579 OE1 GLU B 543 52.758 36.737 5.820 1.00 0.00 O ATOM 1580 OE2 GLU B 543 51.722 38.613 5.597 1.00 0.00 O ATOM 0 H GLU B 543 48.438 36.187 8.260 1.00 0.00 H new ATOM 0 HA GLU B 543 48.271 34.407 5.876 1.00 0.00 H new ATOM 0 HB2 GLU B 543 50.687 35.149 5.345 1.00 0.00 H new ATOM 0 HB3 GLU B 543 49.424 36.284 4.912 1.00 0.00 H new ATOM 0 HG2 GLU B 543 49.833 37.643 6.887 1.00 0.00 H new ATOM 0 HG3 GLU B 543 50.843 36.409 7.614 1.00 0.00 H new ATOM 1587 N ARG B 544 49.513 34.164 8.775 1.00 0.00 N ATOM 1588 CA ARG B 544 50.194 33.252 9.741 1.00 0.00 C ATOM 1589 C ARG B 544 51.703 33.171 9.446 1.00 0.00 C ATOM 1590 O ARG B 544 52.126 32.779 8.378 1.00 0.00 O ATOM 1591 CB ARG B 544 49.556 31.862 9.629 1.00 0.00 C ATOM 1592 CG ARG B 544 48.247 31.782 10.452 1.00 0.00 C ATOM 1593 CD ARG B 544 47.059 32.254 9.604 1.00 0.00 C ATOM 1594 NE ARG B 544 46.517 31.103 8.829 1.00 0.00 N ATOM 1595 CZ ARG B 544 45.330 31.178 8.294 1.00 0.00 C ATOM 1596 NH1 ARG B 544 44.855 30.170 7.614 1.00 0.00 N ATOM 1597 NH2 ARG B 544 44.617 32.261 8.439 1.00 0.00 N ATOM 0 H ARG B 544 48.949 34.896 9.207 1.00 0.00 H new ATOM 0 HA ARG B 544 50.074 33.638 10.753 1.00 0.00 H new ATOM 0 HB2 ARG B 544 49.346 31.638 8.583 1.00 0.00 H new ATOM 0 HB3 ARG B 544 50.258 31.107 9.982 1.00 0.00 H new ATOM 0 HG2 ARG B 544 48.081 30.758 10.786 1.00 0.00 H new ATOM 0 HG3 ARG B 544 48.333 32.399 11.346 1.00 0.00 H new ATOM 0 HD2 ARG B 544 46.283 32.672 10.245 1.00 0.00 H new ATOM 0 HD3 ARG B 544 47.374 33.047 8.926 1.00 0.00 H new ATOM 0 HE ARG B 544 47.074 30.256 8.717 1.00 0.00 H new ATOM 0 HH11 ARG B 544 45.412 29.323 7.501 1.00 0.00 H new ATOM 0 HH12 ARG B 544 43.927 30.229 7.196 1.00 0.00 H new ATOM 0 HH21 ARG B 544 44.988 33.049 8.971 1.00 0.00 H new ATOM 0 HH22 ARG B 544 43.689 32.320 8.021 1.00 0.00 H new ATOM 1611 N ARG B 545 52.520 33.530 10.403 1.00 0.00 N ATOM 1612 CA ARG B 545 53.992 33.470 10.201 1.00 0.00 C ATOM 1613 C ARG B 545 54.376 32.135 9.548 1.00 0.00 C ATOM 1614 O ARG B 545 54.363 32.001 8.341 1.00 0.00 O ATOM 1615 CB ARG B 545 54.681 33.599 11.561 1.00 0.00 C ATOM 1616 CG ARG B 545 54.181 34.851 12.283 1.00 0.00 C ATOM 1617 CD ARG B 545 54.521 36.104 11.469 1.00 0.00 C ATOM 1618 NE ARG B 545 54.536 37.287 12.374 1.00 0.00 N ATOM 1619 CZ ARG B 545 55.073 38.408 11.975 1.00 0.00 C ATOM 1620 NH1 ARG B 545 55.088 39.443 12.770 1.00 0.00 N ATOM 1621 NH2 ARG B 545 55.593 38.494 10.782 1.00 0.00 N ATOM 0 H ARG B 545 52.225 33.864 11.320 1.00 0.00 H new ATOM 0 HA ARG B 545 54.308 34.283 9.547 1.00 0.00 H new ATOM 0 HB2 ARG B 545 54.479 32.715 12.166 1.00 0.00 H new ATOM 0 HB3 ARG B 545 55.761 33.653 11.427 1.00 0.00 H new ATOM 0 HG2 ARG B 545 53.103 34.787 12.432 1.00 0.00 H new ATOM 0 HG3 ARG B 545 54.637 34.916 13.271 1.00 0.00 H new ATOM 0 HD2 ARG B 545 55.492 35.987 10.988 1.00 0.00 H new ATOM 0 HD3 ARG B 545 53.787 36.247 10.676 1.00 0.00 H new ATOM 0 HE ARG B 545 54.127 37.221 13.306 1.00 0.00 H new ATOM 0 HH11 ARG B 545 54.680 39.376 13.703 1.00 0.00 H new ATOM 0 HH12 ARG B 545 55.507 40.319 12.459 1.00 0.00 H new ATOM 0 HH21 ARG B 545 55.580 37.685 10.161 1.00 0.00 H new ATOM 0 HH22 ARG B 545 56.013 39.370 10.470 1.00 0.00 H new ATOM 1635 N GLY B 546 54.719 31.146 10.332 1.00 0.00 N ATOM 1636 CA GLY B 546 55.102 29.827 9.748 1.00 0.00 C ATOM 1637 C GLY B 546 54.914 28.730 10.797 1.00 0.00 C ATOM 1638 O GLY B 546 53.808 28.335 11.107 1.00 0.00 O ATOM 0 H GLY B 546 54.750 31.195 11.350 1.00 0.00 H new ATOM 0 HA2 GLY B 546 54.491 29.615 8.871 1.00 0.00 H new ATOM 0 HA3 GLY B 546 56.140 29.852 9.415 1.00 0.00 H new ATOM 1642 N SER B 547 55.989 28.237 11.348 1.00 0.00 N ATOM 1643 CA SER B 547 55.882 27.170 12.380 1.00 0.00 C ATOM 1644 C SER B 547 57.176 27.165 13.188 1.00 0.00 C ATOM 1645 O SER B 547 58.233 26.923 12.662 1.00 0.00 O ATOM 1646 CB SER B 547 55.686 25.812 11.698 1.00 0.00 C ATOM 1647 OG SER B 547 54.297 25.593 11.484 1.00 0.00 O ATOM 0 H SER B 547 56.941 28.529 11.126 1.00 0.00 H new ATOM 0 HA SER B 547 55.030 27.356 13.035 1.00 0.00 H new ATOM 0 HB2 SER B 547 56.221 25.788 10.749 1.00 0.00 H new ATOM 0 HB3 SER B 547 56.101 25.017 12.318 1.00 0.00 H new ATOM 0 HG SER B 547 53.852 26.450 11.318 1.00 0.00 H new ATOM 1653 N LEU B 548 57.108 27.451 14.451 1.00 0.00 N ATOM 1654 CA LEU B 548 58.349 27.483 15.264 1.00 0.00 C ATOM 1655 C LEU B 548 59.016 26.111 15.268 1.00 0.00 C ATOM 1656 O LEU B 548 58.373 25.108 15.465 1.00 0.00 O ATOM 1657 CB LEU B 548 57.996 27.905 16.709 1.00 0.00 C ATOM 1658 CG LEU B 548 58.308 29.399 16.918 1.00 0.00 C ATOM 1659 CD1 LEU B 548 57.320 30.257 16.123 1.00 0.00 C ATOM 1660 CD2 LEU B 548 58.206 29.753 18.398 1.00 0.00 C ATOM 0 H LEU B 548 56.248 27.664 14.957 1.00 0.00 H new ATOM 0 HA LEU B 548 59.045 28.202 14.832 1.00 0.00 H new ATOM 0 HB2 LEU B 548 56.940 27.716 16.903 1.00 0.00 H new ATOM 0 HB3 LEU B 548 58.564 27.305 17.420 1.00 0.00 H new ATOM 0 HG LEU B 548 59.322 29.596 16.568 1.00 0.00 H new ATOM 0 HD11 LEU B 548 57.548 31.312 16.277 1.00 0.00 H new ATOM 0 HD12 LEU B 548 57.403 30.019 15.063 1.00 0.00 H new ATOM 0 HD13 LEU B 548 56.305 30.052 16.463 1.00 0.00 H new ATOM 0 HD21 LEU B 548 58.428 30.811 18.535 1.00 0.00 H new ATOM 0 HD22 LEU B 548 57.197 29.545 18.753 1.00 0.00 H new ATOM 0 HD23 LEU B 548 58.920 29.156 18.965 1.00 0.00 H new ATOM 1672 N CYS B 549 60.314 26.069 15.098 1.00 0.00 N ATOM 1673 CA CYS B 549 61.014 24.762 15.131 1.00 0.00 C ATOM 1674 C CYS B 549 61.254 24.456 16.600 1.00 0.00 C ATOM 1675 O CYS B 549 62.107 25.032 17.243 1.00 0.00 O ATOM 1676 CB CYS B 549 62.351 24.901 14.379 1.00 0.00 C ATOM 1677 SG CYS B 549 63.563 23.660 14.935 1.00 0.00 S ATOM 0 H CYS B 549 60.910 26.881 14.939 1.00 0.00 H new ATOM 0 HA CYS B 549 60.440 23.965 14.659 1.00 0.00 H new ATOM 0 HB2 CYS B 549 62.180 24.790 13.308 1.00 0.00 H new ATOM 0 HB3 CYS B 549 62.755 25.901 14.535 1.00 0.00 H new ATOM 1682 N SER B 550 60.467 23.572 17.140 1.00 0.00 N ATOM 1683 CA SER B 550 60.596 23.243 18.582 1.00 0.00 C ATOM 1684 C SER B 550 62.044 22.926 18.902 1.00 0.00 C ATOM 1685 O SER B 550 62.689 22.126 18.254 1.00 0.00 O ATOM 1686 CB SER B 550 59.675 22.084 18.954 1.00 0.00 C ATOM 1687 OG SER B 550 60.016 21.612 20.252 1.00 0.00 O ATOM 0 H SER B 550 59.737 23.062 16.642 1.00 0.00 H new ATOM 0 HA SER B 550 60.291 24.104 19.177 1.00 0.00 H new ATOM 0 HB2 SER B 550 58.635 22.410 18.934 1.00 0.00 H new ATOM 0 HB3 SER B 550 59.771 21.279 18.225 1.00 0.00 H new ATOM 0 HG SER B 550 59.198 21.401 20.749 1.00 0.00 H new ATOM 1693 N GLY B 551 62.562 23.605 19.880 1.00 0.00 N ATOM 1694 CA GLY B 551 63.991 23.441 20.269 1.00 0.00 C ATOM 1695 C GLY B 551 64.693 24.724 19.863 1.00 0.00 C ATOM 1696 O GLY B 551 65.592 25.208 20.522 1.00 0.00 O ATOM 0 H GLY B 551 62.046 24.283 20.441 1.00 0.00 H new ATOM 0 HA2 GLY B 551 64.085 23.269 21.341 1.00 0.00 H new ATOM 0 HA3 GLY B 551 64.434 22.580 19.768 1.00 0.00 H new ATOM 1700 N CYS B 552 64.242 25.290 18.780 1.00 0.00 N ATOM 1701 CA CYS B 552 64.802 26.565 18.282 1.00 0.00 C ATOM 1702 C CYS B 552 63.774 27.653 18.572 1.00 0.00 C ATOM 1703 O CYS B 552 64.098 28.786 18.864 1.00 0.00 O ATOM 1704 CB CYS B 552 64.975 26.450 16.769 1.00 0.00 C ATOM 1705 SG CYS B 552 66.554 25.664 16.379 1.00 0.00 S ATOM 0 H CYS B 552 63.489 24.908 18.208 1.00 0.00 H new ATOM 0 HA CYS B 552 65.758 26.793 18.754 1.00 0.00 H new ATOM 0 HB2 CYS B 552 64.156 25.868 16.345 1.00 0.00 H new ATOM 0 HB3 CYS B 552 64.931 27.440 16.314 1.00 0.00 H new ATOM 1710 N GLN B 553 62.529 27.293 18.466 1.00 0.00 N ATOM 1711 CA GLN B 553 61.430 28.256 18.690 1.00 0.00 C ATOM 1712 C GLN B 553 61.603 29.459 17.784 1.00 0.00 C ATOM 1713 O GLN B 553 61.631 30.598 18.205 1.00 0.00 O ATOM 1714 CB GLN B 553 61.351 28.665 20.146 1.00 0.00 C ATOM 1715 CG GLN B 553 60.960 27.437 20.969 1.00 0.00 C ATOM 1716 CD GLN B 553 59.531 26.995 20.643 1.00 0.00 C ATOM 1717 OE1 GLN B 553 58.594 27.355 21.327 1.00 0.00 O ATOM 1718 NE2 GLN B 553 59.334 26.221 19.611 1.00 0.00 N ATOM 0 H GLN B 553 62.224 26.349 18.228 1.00 0.00 H new ATOM 0 HA GLN B 553 60.485 27.772 18.441 1.00 0.00 H new ATOM 0 HB2 GLN B 553 62.310 29.058 20.483 1.00 0.00 H new ATOM 0 HB3 GLN B 553 60.617 29.460 20.278 1.00 0.00 H new ATOM 0 HG2 GLN B 553 61.653 26.621 20.764 1.00 0.00 H new ATOM 0 HG3 GLN B 553 61.041 27.665 22.032 1.00 0.00 H new ATOM 0 HE21 GLN B 553 60.124 25.922 19.040 1.00 0.00 H new ATOM 0 HE22 GLN B 553 58.390 25.916 19.375 1.00 0.00 H new ATOM 1727 N LYS B 554 61.670 29.174 16.524 1.00 0.00 N ATOM 1728 CA LYS B 554 61.793 30.228 15.472 1.00 0.00 C ATOM 1729 C LYS B 554 60.907 29.790 14.285 1.00 0.00 C ATOM 1730 O LYS B 554 61.079 28.696 13.785 1.00 0.00 O ATOM 1731 CB LYS B 554 63.245 30.335 14.992 1.00 0.00 C ATOM 1732 CG LYS B 554 64.157 30.793 16.137 1.00 0.00 C ATOM 1733 CD LYS B 554 63.819 32.237 16.547 1.00 0.00 C ATOM 1734 CE LYS B 554 65.028 32.879 17.235 1.00 0.00 C ATOM 1735 NZ LYS B 554 64.588 34.093 17.980 1.00 0.00 N ATOM 0 H LYS B 554 61.644 28.222 16.159 1.00 0.00 H new ATOM 0 HA LYS B 554 61.486 31.196 15.869 1.00 0.00 H new ATOM 0 HB2 LYS B 554 63.582 29.369 14.615 1.00 0.00 H new ATOM 0 HB3 LYS B 554 63.309 31.040 14.164 1.00 0.00 H new ATOM 0 HG2 LYS B 554 64.039 30.128 16.993 1.00 0.00 H new ATOM 0 HG3 LYS B 554 65.200 30.731 15.827 1.00 0.00 H new ATOM 0 HD2 LYS B 554 63.539 32.818 15.668 1.00 0.00 H new ATOM 0 HD3 LYS B 554 62.961 32.242 17.220 1.00 0.00 H new ATOM 0 HE2 LYS B 554 65.491 32.168 17.919 1.00 0.00 H new ATOM 0 HE3 LYS B 554 65.782 33.147 16.495 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 65.408 34.530 18.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 64.165 34.773 17.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 63.884 33.824 18.696 1.00 0.00 H new ATOM 1749 N PRO B 555 59.953 30.581 13.834 1.00 0.00 N ATOM 1750 CA PRO B 555 59.073 30.147 12.708 1.00 0.00 C ATOM 1751 C PRO B 555 59.810 29.488 11.543 1.00 0.00 C ATOM 1752 O PRO B 555 60.836 29.944 11.081 1.00 0.00 O ATOM 1753 CB PRO B 555 58.423 31.462 12.280 1.00 0.00 C ATOM 1754 CG PRO B 555 58.522 32.428 13.472 1.00 0.00 C ATOM 1755 CD PRO B 555 59.657 31.931 14.392 1.00 0.00 C ATOM 0 HA PRO B 555 58.375 29.370 13.020 1.00 0.00 H new ATOM 0 HB2 PRO B 555 58.929 31.875 11.407 1.00 0.00 H new ATOM 0 HB3 PRO B 555 57.382 31.303 11.999 1.00 0.00 H new ATOM 0 HG2 PRO B 555 58.727 33.441 13.126 1.00 0.00 H new ATOM 0 HG3 PRO B 555 57.578 32.462 14.015 1.00 0.00 H new ATOM 0 HD2 PRO B 555 60.527 32.586 14.354 1.00 0.00 H new ATOM 0 HD3 PRO B 555 59.342 31.880 15.434 1.00 0.00 H new ATOM 1763 N ILE B 556 59.250 28.412 11.071 1.00 0.00 N ATOM 1764 CA ILE B 556 59.832 27.664 9.930 1.00 0.00 C ATOM 1765 C ILE B 556 59.145 28.147 8.651 1.00 0.00 C ATOM 1766 O ILE B 556 58.044 27.736 8.339 1.00 0.00 O ATOM 1767 CB ILE B 556 59.539 26.180 10.146 1.00 0.00 C ATOM 1768 CG1 ILE B 556 60.321 25.661 11.378 1.00 0.00 C ATOM 1769 CG2 ILE B 556 59.954 25.393 8.908 1.00 0.00 C ATOM 1770 CD1 ILE B 556 59.618 24.431 11.993 1.00 0.00 C ATOM 0 H ILE B 556 58.388 28.011 11.441 1.00 0.00 H new ATOM 0 HA ILE B 556 60.908 27.821 9.852 1.00 0.00 H new ATOM 0 HB ILE B 556 58.471 26.048 10.320 1.00 0.00 H new ATOM 0 HG12 ILE B 556 61.337 25.396 11.085 1.00 0.00 H new ATOM 0 HG13 ILE B 556 60.400 26.452 12.124 1.00 0.00 H new ATOM 0 HG21 ILE B 556 59.745 24.335 9.063 1.00 0.00 H new ATOM 0 HG22 ILE B 556 59.394 25.751 8.044 1.00 0.00 H new ATOM 0 HG23 ILE B 556 61.021 25.530 8.731 1.00 0.00 H new ATOM 0 HD11 ILE B 556 60.184 24.083 12.857 1.00 0.00 H new ATOM 0 HD12 ILE B 556 58.611 24.706 12.306 1.00 0.00 H new ATOM 0 HD13 ILE B 556 59.562 23.635 11.251 1.00 0.00 H new ATOM 1782 N THR B 557 59.765 29.044 7.926 1.00 0.00 N ATOM 1783 CA THR B 557 59.127 29.590 6.684 1.00 0.00 C ATOM 1784 C THR B 557 59.701 28.929 5.431 1.00 0.00 C ATOM 1785 O THR B 557 60.678 29.373 4.860 1.00 0.00 O ATOM 1786 CB THR B 557 59.370 31.094 6.641 1.00 0.00 C ATOM 1787 OG1 THR B 557 60.690 31.349 6.180 1.00 0.00 O ATOM 1788 CG2 THR B 557 59.195 31.654 8.053 1.00 0.00 C ATOM 0 H THR B 557 60.687 29.424 8.139 1.00 0.00 H new ATOM 0 HA THR B 557 58.058 29.378 6.706 1.00 0.00 H new ATOM 0 HB THR B 557 58.662 31.571 5.963 1.00 0.00 H new ATOM 0 HG1 THR B 557 60.767 31.077 5.242 1.00 0.00 H new ATOM 0 HG21 THR B 557 59.365 32.731 8.041 1.00 0.00 H new ATOM 0 HG22 THR B 557 58.183 31.451 8.402 1.00 0.00 H new ATOM 0 HG23 THR B 557 59.912 31.181 8.724 1.00 0.00 H new ATOM 1796 N GLY B 558 59.079 27.870 5.006 1.00 0.00 N ATOM 1797 CA GLY B 558 59.530 27.139 3.791 1.00 0.00 C ATOM 1798 C GLY B 558 59.010 25.713 3.900 1.00 0.00 C ATOM 1799 O GLY B 558 57.876 25.423 3.572 1.00 0.00 O ATOM 0 H GLY B 558 58.258 27.470 5.459 1.00 0.00 H new ATOM 0 HA2 GLY B 558 59.148 27.619 2.890 1.00 0.00 H new ATOM 0 HA3 GLY B 558 60.618 27.147 3.720 1.00 0.00 H new ATOM 1803 N ARG B 559 59.826 24.832 4.397 1.00 0.00 N ATOM 1804 CA ARG B 559 59.415 23.416 4.594 1.00 0.00 C ATOM 1805 C ARG B 559 59.386 23.166 6.094 1.00 0.00 C ATOM 1806 O ARG B 559 60.123 23.782 6.838 1.00 0.00 O ATOM 1807 CB ARG B 559 60.451 22.497 3.927 1.00 0.00 C ATOM 1808 CG ARG B 559 60.096 22.296 2.444 1.00 0.00 C ATOM 1809 CD ARG B 559 59.097 21.140 2.293 1.00 0.00 C ATOM 1810 NE ARG B 559 58.447 21.198 0.939 1.00 0.00 N ATOM 1811 CZ ARG B 559 57.742 22.228 0.552 1.00 0.00 C ATOM 1812 NH1 ARG B 559 57.288 22.278 -0.671 1.00 0.00 N ATOM 1813 NH2 ARG B 559 57.452 23.187 1.389 1.00 0.00 N ATOM 0 H ARG B 559 60.784 25.038 4.682 1.00 0.00 H new ATOM 0 HA ARG B 559 58.438 23.217 4.154 1.00 0.00 H new ATOM 0 HB2 ARG B 559 61.446 22.932 4.016 1.00 0.00 H new ATOM 0 HB3 ARG B 559 60.478 21.534 4.437 1.00 0.00 H new ATOM 0 HG2 ARG B 559 59.668 23.212 2.037 1.00 0.00 H new ATOM 0 HG3 ARG B 559 60.999 22.084 1.871 1.00 0.00 H new ATOM 0 HD2 ARG B 559 59.610 20.186 2.419 1.00 0.00 H new ATOM 0 HD3 ARG B 559 58.338 21.200 3.073 1.00 0.00 H new ATOM 0 HE ARG B 559 58.560 20.409 0.303 1.00 0.00 H new ATOM 0 HH11 ARG B 559 57.484 21.515 -1.319 1.00 0.00 H new ATOM 0 HH12 ARG B 559 56.737 23.080 -0.978 1.00 0.00 H new ATOM 0 HH21 ARG B 559 57.776 23.136 2.355 1.00 0.00 H new ATOM 0 HH22 ARG B 559 56.901 23.987 1.077 1.00 0.00 H new ATOM 1827 N CYS B 560 58.547 22.284 6.560 1.00 0.00 N ATOM 1828 CA CYS B 560 58.503 22.029 8.031 1.00 0.00 C ATOM 1829 C CYS B 560 58.222 20.571 8.334 1.00 0.00 C ATOM 1830 O CYS B 560 57.249 19.993 7.891 1.00 0.00 O ATOM 1831 CB CYS B 560 57.433 22.898 8.687 1.00 0.00 C ATOM 1832 SG CYS B 560 55.831 22.582 7.907 1.00 0.00 S ATOM 0 H CYS B 560 57.897 21.734 5.997 1.00 0.00 H new ATOM 0 HA CYS B 560 59.482 22.283 8.437 1.00 0.00 H new ATOM 0 HB2 CYS B 560 57.378 22.681 9.754 1.00 0.00 H new ATOM 0 HB3 CYS B 560 57.695 23.951 8.589 1.00 0.00 H new ATOM 0 HG CYS B 560 55.772 21.341 7.525 1.00 0.00 H new ATOM 1838 N ILE B 561 59.072 19.988 9.124 1.00 0.00 N ATOM 1839 CA ILE B 561 58.896 18.581 9.526 1.00 0.00 C ATOM 1840 C ILE B 561 58.101 18.564 10.807 1.00 0.00 C ATOM 1841 O ILE B 561 58.217 19.442 11.636 1.00 0.00 O ATOM 1842 CB ILE B 561 60.263 17.963 9.772 1.00 0.00 C ATOM 1843 CG1 ILE B 561 61.000 17.966 8.446 1.00 0.00 C ATOM 1844 CG2 ILE B 561 60.130 16.521 10.287 1.00 0.00 C ATOM 1845 CD1 ILE B 561 62.351 17.281 8.606 1.00 0.00 C ATOM 0 H ILE B 561 59.898 20.442 9.514 1.00 0.00 H new ATOM 0 HA ILE B 561 58.380 18.017 8.750 1.00 0.00 H new ATOM 0 HB ILE B 561 60.802 18.534 10.528 1.00 0.00 H new ATOM 0 HG12 ILE B 561 60.408 17.451 7.689 1.00 0.00 H new ATOM 0 HG13 ILE B 561 61.140 18.990 8.099 1.00 0.00 H new ATOM 0 HG21 ILE B 561 61.122 16.102 10.455 1.00 0.00 H new ATOM 0 HG22 ILE B 561 59.572 16.519 11.223 1.00 0.00 H new ATOM 0 HG23 ILE B 561 59.602 15.918 9.548 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.877 17.286 7.651 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.944 17.815 9.349 1.00 0.00 H new ATOM 0 HD13 ILE B 561 62.201 16.252 8.933 1.00 0.00 H new ATOM 1857 N THR B 562 57.303 17.560 10.969 1.00 0.00 N ATOM 1858 CA THR B 562 56.474 17.429 12.203 1.00 0.00 C ATOM 1859 C THR B 562 56.864 16.156 12.924 1.00 0.00 C ATOM 1860 O THR B 562 57.239 15.169 12.322 1.00 0.00 O ATOM 1861 CB THR B 562 54.984 17.386 11.868 1.00 0.00 C ATOM 1862 OG1 THR B 562 54.675 18.411 10.934 1.00 0.00 O ATOM 1863 CG2 THR B 562 54.178 17.597 13.156 1.00 0.00 C ATOM 0 H THR B 562 57.182 16.807 10.292 1.00 0.00 H new ATOM 0 HA THR B 562 56.654 18.297 12.837 1.00 0.00 H new ATOM 0 HB THR B 562 54.731 16.420 11.431 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.719 18.381 10.719 1.00 0.00 H new ATOM 0 HG21 THR B 562 53.113 17.568 12.927 1.00 0.00 H new ATOM 0 HG22 THR B 562 54.418 16.808 13.869 1.00 0.00 H new ATOM 0 HG23 THR B 562 54.430 18.565 13.588 1.00 0.00 H new ATOM 1871 N ALA B 563 56.796 16.191 14.218 1.00 0.00 N ATOM 1872 CA ALA B 563 57.174 15.021 15.046 1.00 0.00 C ATOM 1873 C ALA B 563 55.999 14.628 15.930 1.00 0.00 C ATOM 1874 O ALA B 563 54.886 14.463 15.473 1.00 0.00 O ATOM 1875 CB ALA B 563 58.369 15.412 15.901 1.00 0.00 C ATOM 0 H ALA B 563 56.486 17.003 14.751 1.00 0.00 H new ATOM 0 HA ALA B 563 57.434 14.171 14.415 1.00 0.00 H new ATOM 0 HB1 ALA B 563 58.666 14.565 16.520 1.00 0.00 H new ATOM 0 HB2 ALA B 563 59.200 15.699 15.256 1.00 0.00 H new ATOM 0 HB3 ALA B 563 58.099 16.252 16.541 1.00 0.00 H new ATOM 1881 N MET B 564 56.246 14.479 17.195 1.00 0.00 N ATOM 1882 CA MET B 564 55.170 14.102 18.153 1.00 0.00 C ATOM 1883 C MET B 564 54.154 15.237 18.237 1.00 0.00 C ATOM 1884 O MET B 564 53.509 15.425 19.246 1.00 0.00 O ATOM 1885 CB MET B 564 55.803 13.893 19.523 1.00 0.00 C ATOM 1886 CG MET B 564 57.172 13.231 19.357 1.00 0.00 C ATOM 1887 SD MET B 564 57.705 12.539 20.943 1.00 0.00 S ATOM 1888 CE MET B 564 59.318 11.928 20.394 1.00 0.00 C ATOM 0 H MET B 564 57.166 14.604 17.617 1.00 0.00 H new ATOM 0 HA MET B 564 54.670 13.191 17.824 1.00 0.00 H new ATOM 0 HB2 MET B 564 55.909 14.849 20.036 1.00 0.00 H new ATOM 0 HB3 MET B 564 55.158 13.269 20.142 1.00 0.00 H new ATOM 0 HG2 MET B 564 57.118 12.444 18.605 1.00 0.00 H new ATOM 0 HG3 MET B 564 57.900 13.961 19.004 1.00 0.00 H new ATOM 0 HE1 MET B 564 59.831 11.453 21.230 1.00 0.00 H new ATOM 0 HE2 MET B 564 59.179 11.201 19.594 1.00 0.00 H new ATOM 0 HE3 MET B 564 59.917 12.761 20.027 1.00 0.00 H new ATOM 1898 N ALA B 565 54.075 15.988 17.178 1.00 0.00 N ATOM 1899 CA ALA B 565 53.180 17.179 17.054 1.00 0.00 C ATOM 1900 C ALA B 565 54.076 18.404 17.062 1.00 0.00 C ATOM 1901 O ALA B 565 53.648 19.509 16.796 1.00 0.00 O ATOM 1902 CB ALA B 565 52.159 17.293 18.189 1.00 0.00 C ATOM 0 H ALA B 565 54.629 15.814 16.340 1.00 0.00 H new ATOM 0 HA ALA B 565 52.602 17.085 16.135 1.00 0.00 H new ATOM 0 HB1 ALA B 565 51.543 18.179 18.036 1.00 0.00 H new ATOM 0 HB2 ALA B 565 51.525 16.407 18.198 1.00 0.00 H new ATOM 0 HB3 ALA B 565 52.682 17.375 19.142 1.00 0.00 H new ATOM 1908 N LYS B 566 55.336 18.205 17.350 1.00 0.00 N ATOM 1909 CA LYS B 566 56.282 19.351 17.357 1.00 0.00 C ATOM 1910 C LYS B 566 56.719 19.615 15.923 1.00 0.00 C ATOM 1911 O LYS B 566 56.581 18.772 15.068 1.00 0.00 O ATOM 1912 CB LYS B 566 57.514 18.993 18.202 1.00 0.00 C ATOM 1913 CG LYS B 566 57.335 19.486 19.640 1.00 0.00 C ATOM 1914 CD LYS B 566 58.336 18.766 20.559 1.00 0.00 C ATOM 1915 CE LYS B 566 57.729 17.446 21.061 1.00 0.00 C ATOM 1916 NZ LYS B 566 58.824 16.510 21.446 1.00 0.00 N ATOM 0 H LYS B 566 55.746 17.300 17.580 1.00 0.00 H new ATOM 0 HA LYS B 566 55.801 20.234 17.779 1.00 0.00 H new ATOM 0 HB2 LYS B 566 57.665 17.914 18.197 1.00 0.00 H new ATOM 0 HB3 LYS B 566 58.406 19.442 17.765 1.00 0.00 H new ATOM 0 HG2 LYS B 566 57.491 20.564 19.688 1.00 0.00 H new ATOM 0 HG3 LYS B 566 56.316 19.297 19.976 1.00 0.00 H new ATOM 0 HD2 LYS B 566 59.262 18.568 20.019 1.00 0.00 H new ATOM 0 HD3 LYS B 566 58.591 19.404 21.405 1.00 0.00 H new ATOM 0 HE2 LYS B 566 57.079 17.634 21.916 1.00 0.00 H new ATOM 0 HE3 LYS B 566 57.110 16.999 20.283 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 58.414 15.617 21.786 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 59.427 16.322 20.620 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 59.396 16.938 22.202 1.00 0.00 H new ATOM 1930 N LYS B 567 57.265 20.771 15.664 1.00 0.00 N ATOM 1931 CA LYS B 567 57.743 21.101 14.292 1.00 0.00 C ATOM 1932 C LYS B 567 59.264 21.028 14.315 1.00 0.00 C ATOM 1933 O LYS B 567 59.856 20.824 15.357 1.00 0.00 O ATOM 1934 CB LYS B 567 57.273 22.507 13.915 1.00 0.00 C ATOM 1935 CG LYS B 567 55.866 22.758 14.481 1.00 0.00 C ATOM 1936 CD LYS B 567 54.860 21.736 13.918 1.00 0.00 C ATOM 1937 CE LYS B 567 54.768 21.881 12.397 1.00 0.00 C ATOM 1938 NZ LYS B 567 53.473 21.317 11.923 1.00 0.00 N ATOM 0 H LYS B 567 57.402 21.510 16.354 1.00 0.00 H new ATOM 0 HA LYS B 567 57.346 20.405 13.553 1.00 0.00 H new ATOM 0 HB2 LYS B 567 57.969 23.249 14.305 1.00 0.00 H new ATOM 0 HB3 LYS B 567 57.263 22.618 12.831 1.00 0.00 H new ATOM 0 HG2 LYS B 567 55.889 22.691 15.569 1.00 0.00 H new ATOM 0 HG3 LYS B 567 55.543 23.769 14.231 1.00 0.00 H new ATOM 0 HD2 LYS B 567 55.172 20.724 14.178 1.00 0.00 H new ATOM 0 HD3 LYS B 567 53.879 21.892 14.367 1.00 0.00 H new ATOM 0 HE2 LYS B 567 54.844 22.931 12.116 1.00 0.00 H new ATOM 0 HE3 LYS B 567 55.599 21.362 11.920 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 53.107 21.897 11.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 53.619 20.342 11.592 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 52.787 21.318 12.705 1.00 0.00 H new ATOM 1952 N PHE B 568 59.919 21.172 13.201 1.00 0.00 N ATOM 1953 CA PHE B 568 61.405 21.080 13.243 1.00 0.00 C ATOM 1954 C PHE B 568 61.999 21.715 11.999 1.00 0.00 C ATOM 1955 O PHE B 568 61.560 21.468 10.894 1.00 0.00 O ATOM 1956 CB PHE B 568 61.821 19.583 13.309 1.00 0.00 C ATOM 1957 CG PHE B 568 62.490 19.271 14.637 1.00 0.00 C ATOM 1958 CD1 PHE B 568 61.780 18.601 15.641 1.00 0.00 C ATOM 1959 CD2 PHE B 568 63.818 19.657 14.858 1.00 0.00 C ATOM 1960 CE1 PHE B 568 62.398 18.317 16.865 1.00 0.00 C ATOM 1961 CE2 PHE B 568 64.436 19.373 16.082 1.00 0.00 C ATOM 1962 CZ PHE B 568 63.726 18.703 17.085 1.00 0.00 C ATOM 0 H PHE B 568 59.506 21.345 12.285 1.00 0.00 H new ATOM 0 HA PHE B 568 61.775 21.607 14.123 1.00 0.00 H new ATOM 0 HB2 PHE B 568 60.943 18.950 13.181 1.00 0.00 H new ATOM 0 HB3 PHE B 568 62.502 19.353 12.490 1.00 0.00 H new ATOM 0 HD1 PHE B 568 60.756 18.303 15.471 1.00 0.00 H new ATOM 0 HD2 PHE B 568 64.366 20.174 14.084 1.00 0.00 H new ATOM 0 HE1 PHE B 568 61.850 17.800 17.639 1.00 0.00 H new ATOM 0 HE2 PHE B 568 65.460 19.671 16.252 1.00 0.00 H new ATOM 0 HZ PHE B 568 64.203 18.484 18.029 1.00 0.00 H new ATOM 1972 N HIS B 569 63.033 22.487 12.163 1.00 0.00 N ATOM 1973 CA HIS B 569 63.688 23.078 10.976 1.00 0.00 C ATOM 1974 C HIS B 569 64.050 21.890 10.072 1.00 0.00 C ATOM 1975 O HIS B 569 64.845 21.062 10.470 1.00 0.00 O ATOM 1976 CB HIS B 569 64.979 23.781 11.404 1.00 0.00 C ATOM 1977 CG HIS B 569 64.708 25.194 11.830 1.00 0.00 C ATOM 1978 ND1 HIS B 569 64.990 25.627 13.112 1.00 0.00 N ATOM 1979 CD2 HIS B 569 64.230 26.288 11.156 1.00 0.00 C ATOM 1980 CE1 HIS B 569 64.691 26.935 13.171 1.00 0.00 C ATOM 1981 NE2 HIS B 569 64.220 27.390 12.005 1.00 0.00 N ATOM 0 H HIS B 569 63.448 22.731 13.062 1.00 0.00 H new ATOM 0 HA HIS B 569 63.044 23.801 10.476 1.00 0.00 H new ATOM 0 HB2 HIS B 569 65.441 23.232 12.225 1.00 0.00 H new ATOM 0 HB3 HIS B 569 65.690 23.777 10.578 1.00 0.00 H new ATOM 0 HD2 HIS B 569 63.910 26.293 10.124 1.00 0.00 H new ATOM 0 HE1 HIS B 569 64.816 27.545 14.053 1.00 0.00 H new ATOM 0 HE2 HIS B 569 63.919 28.339 11.786 1.00 0.00 H new ATOM 1988 N PRO B 570 63.479 21.754 8.902 1.00 0.00 N ATOM 1989 CA PRO B 570 63.812 20.586 8.055 1.00 0.00 C ATOM 1990 C PRO B 570 65.325 20.345 8.004 1.00 0.00 C ATOM 1991 O PRO B 570 65.787 19.310 7.574 1.00 0.00 O ATOM 1992 CB PRO B 570 63.236 21.011 6.699 1.00 0.00 C ATOM 1993 CG PRO B 570 62.158 22.067 6.984 1.00 0.00 C ATOM 1994 CD PRO B 570 62.496 22.716 8.331 1.00 0.00 C ATOM 0 HA PRO B 570 63.409 19.639 8.415 1.00 0.00 H new ATOM 0 HB2 PRO B 570 64.017 21.420 6.058 1.00 0.00 H new ATOM 0 HB3 PRO B 570 62.810 20.155 6.175 1.00 0.00 H new ATOM 0 HG2 PRO B 570 62.136 22.816 6.192 1.00 0.00 H new ATOM 0 HG3 PRO B 570 61.170 21.608 7.017 1.00 0.00 H new ATOM 0 HD2 PRO B 570 62.923 23.711 8.208 1.00 0.00 H new ATOM 0 HD3 PRO B 570 61.615 22.823 8.964 1.00 0.00 H new ATOM 2002 N GLU B 571 66.100 21.299 8.461 1.00 0.00 N ATOM 2003 CA GLU B 571 67.582 21.141 8.448 1.00 0.00 C ATOM 2004 C GLU B 571 68.073 20.631 9.807 1.00 0.00 C ATOM 2005 O GLU B 571 68.790 19.660 9.907 1.00 0.00 O ATOM 2006 CB GLU B 571 68.218 22.509 8.179 1.00 0.00 C ATOM 2007 CG GLU B 571 67.356 23.266 7.179 1.00 0.00 C ATOM 2008 CD GLU B 571 68.103 24.506 6.687 1.00 0.00 C ATOM 2009 OE1 GLU B 571 68.561 25.268 7.522 1.00 0.00 O ATOM 2010 OE2 GLU B 571 68.206 24.672 5.483 1.00 0.00 O ATOM 0 H GLU B 571 65.765 22.183 8.844 1.00 0.00 H new ATOM 0 HA GLU B 571 67.860 20.425 7.674 1.00 0.00 H new ATOM 0 HB2 GLU B 571 68.303 23.074 9.107 1.00 0.00 H new ATOM 0 HB3 GLU B 571 69.228 22.385 7.788 1.00 0.00 H new ATOM 0 HG2 GLU B 571 67.109 22.621 6.336 1.00 0.00 H new ATOM 0 HG3 GLU B 571 66.414 23.558 7.644 1.00 0.00 H new ATOM 2017 N HIS B 572 67.698 21.294 10.855 1.00 0.00 N ATOM 2018 CA HIS B 572 68.161 20.860 12.207 1.00 0.00 C ATOM 2019 C HIS B 572 67.724 19.421 12.468 1.00 0.00 C ATOM 2020 O HIS B 572 68.079 18.830 13.469 1.00 0.00 O ATOM 2021 CB HIS B 572 67.598 21.808 13.276 1.00 0.00 C ATOM 2022 CG HIS B 572 67.917 23.222 12.852 1.00 0.00 C ATOM 2023 ND1 HIS B 572 67.232 24.362 13.301 1.00 0.00 N ATOM 2024 CD2 HIS B 572 68.877 23.692 11.986 1.00 0.00 C ATOM 2025 CE1 HIS B 572 67.799 25.425 12.698 1.00 0.00 C ATOM 2026 NE2 HIS B 572 68.799 25.073 11.893 1.00 0.00 N ATOM 0 H HIS B 572 67.093 22.115 10.843 1.00 0.00 H new ATOM 0 HA HIS B 572 69.249 20.899 12.250 1.00 0.00 H new ATOM 0 HB2 HIS B 572 66.521 21.673 13.377 1.00 0.00 H new ATOM 0 HB3 HIS B 572 68.039 21.592 14.249 1.00 0.00 H new ATOM 0 HD2 HIS B 572 69.588 23.075 11.456 1.00 0.00 H new ATOM 0 HE1 HIS B 572 67.479 26.445 12.850 1.00 0.00 H new ATOM 0 HE2 HIS B 572 69.384 25.689 11.328 1.00 0.00 H new ATOM 2033 N PHE B 573 66.980 18.843 11.559 1.00 0.00 N ATOM 2034 CA PHE B 573 66.539 17.423 11.722 1.00 0.00 C ATOM 2035 C PHE B 573 66.888 16.672 10.435 1.00 0.00 C ATOM 2036 O PHE B 573 66.039 16.100 9.780 1.00 0.00 O ATOM 2037 CB PHE B 573 65.028 17.385 11.961 1.00 0.00 C ATOM 2038 CG PHE B 573 64.641 16.084 12.633 1.00 0.00 C ATOM 2039 CD1 PHE B 573 63.859 15.142 11.951 1.00 0.00 C ATOM 2040 CD2 PHE B 573 65.066 15.822 13.941 1.00 0.00 C ATOM 2041 CE1 PHE B 573 63.503 13.941 12.577 1.00 0.00 C ATOM 2042 CE2 PHE B 573 64.710 14.622 14.567 1.00 0.00 C ATOM 2043 CZ PHE B 573 63.929 13.681 13.885 1.00 0.00 C ATOM 0 H PHE B 573 66.657 19.297 10.705 1.00 0.00 H new ATOM 0 HA PHE B 573 67.037 16.958 12.573 1.00 0.00 H new ATOM 0 HB2 PHE B 573 64.729 18.228 12.584 1.00 0.00 H new ATOM 0 HB3 PHE B 573 64.499 17.485 11.013 1.00 0.00 H new ATOM 0 HD1 PHE B 573 63.531 15.342 10.942 1.00 0.00 H new ATOM 0 HD2 PHE B 573 65.669 16.547 14.468 1.00 0.00 H new ATOM 0 HE1 PHE B 573 62.900 13.216 12.051 1.00 0.00 H new ATOM 0 HE2 PHE B 573 65.038 14.422 15.576 1.00 0.00 H new ATOM 0 HZ PHE B 573 63.655 12.755 14.368 1.00 0.00 H new ATOM 2053 N VAL B 574 68.137 16.700 10.063 1.00 0.00 N ATOM 2054 CA VAL B 574 68.581 16.027 8.810 1.00 0.00 C ATOM 2055 C VAL B 574 69.083 14.607 9.100 1.00 0.00 C ATOM 2056 O VAL B 574 69.142 14.167 10.231 1.00 0.00 O ATOM 2057 CB VAL B 574 69.740 16.811 8.191 1.00 0.00 C ATOM 2058 CG1 VAL B 574 69.238 18.171 7.659 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.836 17.018 9.251 1.00 0.00 C ATOM 0 H VAL B 574 68.880 17.168 10.582 1.00 0.00 H new ATOM 0 HA VAL B 574 67.728 15.986 8.132 1.00 0.00 H new ATOM 0 HB VAL B 574 70.154 16.249 7.354 1.00 0.00 H new ATOM 0 HG11 VAL B 574 70.071 18.720 7.221 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.474 18.005 6.900 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.814 18.749 8.480 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.664 17.576 8.814 1.00 0.00 H new ATOM 0 HG22 VAL B 574 70.427 17.576 10.093 1.00 0.00 H new ATOM 0 HG23 VAL B 574 71.195 16.049 9.597 1.00 0.00 H new ATOM 2069 N CYS B 575 69.462 13.904 8.068 1.00 0.00 N ATOM 2070 CA CYS B 575 69.991 12.516 8.231 1.00 0.00 C ATOM 2071 C CYS B 575 71.466 12.609 8.579 1.00 0.00 C ATOM 2072 O CYS B 575 72.157 13.459 8.052 1.00 0.00 O ATOM 2073 CB CYS B 575 69.816 11.758 6.900 1.00 0.00 C ATOM 2074 SG CYS B 575 71.345 10.929 6.400 1.00 0.00 S ATOM 0 H CYS B 575 69.428 14.236 7.104 1.00 0.00 H new ATOM 0 HA CYS B 575 69.456 11.987 9.020 1.00 0.00 H new ATOM 0 HB2 CYS B 575 69.019 11.022 7.002 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.508 12.456 6.121 1.00 0.00 H new ATOM 2079 N ALA B 576 71.993 11.745 9.422 1.00 0.00 N ATOM 2080 CA ALA B 576 73.456 11.877 9.683 1.00 0.00 C ATOM 2081 C ALA B 576 74.226 10.975 8.689 1.00 0.00 C ATOM 2082 O ALA B 576 74.850 9.999 9.050 1.00 0.00 O ATOM 2083 CB ALA B 576 73.719 11.408 11.130 1.00 0.00 C ATOM 0 H ALA B 576 71.503 10.997 9.913 1.00 0.00 H new ATOM 0 HA ALA B 576 73.786 12.908 9.556 1.00 0.00 H new ATOM 0 HB1 ALA B 576 74.783 11.493 11.352 1.00 0.00 H new ATOM 0 HB2 ALA B 576 73.153 12.031 11.823 1.00 0.00 H new ATOM 0 HB3 ALA B 576 73.407 10.369 11.238 1.00 0.00 H new ATOM 2089 N PHE B 577 74.266 11.417 7.456 1.00 0.00 N ATOM 2090 CA PHE B 577 75.063 10.786 6.349 1.00 0.00 C ATOM 2091 C PHE B 577 75.300 11.947 5.399 1.00 0.00 C ATOM 2092 O PHE B 577 76.401 12.393 5.141 1.00 0.00 O ATOM 2093 CB PHE B 577 74.305 9.647 5.644 1.00 0.00 C ATOM 2094 CG PHE B 577 75.157 9.026 4.555 1.00 0.00 C ATOM 2095 CD1 PHE B 577 75.859 7.831 4.786 1.00 0.00 C ATOM 2096 CD2 PHE B 577 75.222 9.637 3.300 1.00 0.00 C ATOM 2097 CE1 PHE B 577 76.620 7.260 3.761 1.00 0.00 C ATOM 2098 CE2 PHE B 577 75.988 9.066 2.277 1.00 0.00 C ATOM 2099 CZ PHE B 577 76.686 7.878 2.508 1.00 0.00 C ATOM 0 H PHE B 577 73.746 12.241 7.153 1.00 0.00 H new ATOM 0 HA PHE B 577 75.977 10.318 6.715 1.00 0.00 H new ATOM 0 HB2 PHE B 577 74.025 8.885 6.372 1.00 0.00 H new ATOM 0 HB3 PHE B 577 73.380 10.031 5.214 1.00 0.00 H new ATOM 0 HD1 PHE B 577 75.811 7.354 5.754 1.00 0.00 H new ATOM 0 HD2 PHE B 577 74.679 10.553 3.119 1.00 0.00 H new ATOM 0 HE1 PHE B 577 77.158 6.340 3.937 1.00 0.00 H new ATOM 0 HE2 PHE B 577 76.039 9.544 1.310 1.00 0.00 H new ATOM 0 HZ PHE B 577 77.277 7.437 1.719 1.00 0.00 H new ATOM 2109 N CYS B 578 74.175 12.466 4.944 1.00 0.00 N ATOM 2110 CA CYS B 578 74.119 13.658 4.058 1.00 0.00 C ATOM 2111 C CYS B 578 73.436 14.752 4.889 1.00 0.00 C ATOM 2112 O CYS B 578 72.253 14.999 4.803 1.00 0.00 O ATOM 2113 CB CYS B 578 73.304 13.345 2.792 1.00 0.00 C ATOM 2114 SG CYS B 578 71.583 12.998 3.223 1.00 0.00 S ATOM 0 H CYS B 578 73.257 12.084 5.169 1.00 0.00 H new ATOM 0 HA CYS B 578 75.110 13.967 3.726 1.00 0.00 H new ATOM 0 HB2 CYS B 578 73.350 14.189 2.104 1.00 0.00 H new ATOM 0 HB3 CYS B 578 73.736 12.488 2.276 1.00 0.00 H new ATOM 2119 N LEU B 579 74.198 15.341 5.747 1.00 0.00 N ATOM 2120 CA LEU B 579 73.706 16.378 6.692 1.00 0.00 C ATOM 2121 C LEU B 579 72.921 17.507 6.001 1.00 0.00 C ATOM 2122 O LEU B 579 72.716 18.541 6.606 1.00 0.00 O ATOM 2123 CB LEU B 579 74.935 16.965 7.400 1.00 0.00 C ATOM 2124 CG LEU B 579 75.949 15.839 7.693 1.00 0.00 C ATOM 2125 CD1 LEU B 579 77.060 16.354 8.609 1.00 0.00 C ATOM 2126 CD2 LEU B 579 75.235 14.663 8.382 1.00 0.00 C ATOM 0 H LEU B 579 75.193 15.139 5.841 1.00 0.00 H new ATOM 0 HA LEU B 579 73.011 15.910 7.389 1.00 0.00 H new ATOM 0 HB2 LEU B 579 75.396 17.730 6.776 1.00 0.00 H new ATOM 0 HB3 LEU B 579 74.635 17.450 8.329 1.00 0.00 H new ATOM 0 HG LEU B 579 76.383 15.507 6.750 1.00 0.00 H new ATOM 0 HD11 LEU B 579 77.769 15.550 8.808 1.00 0.00 H new ATOM 0 HD12 LEU B 579 77.577 17.182 8.124 1.00 0.00 H new ATOM 0 HD13 LEU B 579 76.627 16.697 9.549 1.00 0.00 H new ATOM 0 HD21 LEU B 579 75.954 13.870 8.587 1.00 0.00 H new ATOM 0 HD22 LEU B 579 74.794 15.004 9.319 1.00 0.00 H new ATOM 0 HD23 LEU B 579 74.450 14.281 7.729 1.00 0.00 H new ATOM 2138 N LYS B 580 72.484 17.368 4.756 1.00 0.00 N ATOM 2139 CA LYS B 580 71.741 18.521 4.130 1.00 0.00 C ATOM 2140 C LYS B 580 70.214 18.361 4.221 1.00 0.00 C ATOM 2141 O LYS B 580 69.519 19.338 4.421 1.00 0.00 O ATOM 2142 CB LYS B 580 72.174 18.650 2.638 1.00 0.00 C ATOM 2143 CG LYS B 580 71.271 17.851 1.659 1.00 0.00 C ATOM 2144 CD LYS B 580 71.508 16.347 1.830 1.00 0.00 C ATOM 2145 CE LYS B 580 70.299 15.567 1.312 1.00 0.00 C ATOM 2146 NZ LYS B 580 69.754 16.237 0.097 1.00 0.00 N ATOM 0 H LYS B 580 72.604 16.541 4.171 1.00 0.00 H new ATOM 0 HA LYS B 580 71.996 19.424 4.685 1.00 0.00 H new ATOM 0 HB2 LYS B 580 72.162 19.702 2.354 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.203 18.304 2.535 1.00 0.00 H new ATOM 0 HG2 LYS B 580 70.223 18.085 1.846 1.00 0.00 H new ATOM 0 HG3 LYS B 580 71.485 18.146 0.632 1.00 0.00 H new ATOM 0 HD2 LYS B 580 72.405 16.047 1.287 1.00 0.00 H new ATOM 0 HD3 LYS B 580 71.679 16.114 2.881 1.00 0.00 H new ATOM 0 HE2 LYS B 580 70.588 14.543 1.076 1.00 0.00 H new ATOM 0 HE3 LYS B 580 69.532 15.511 2.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 69.204 15.552 -0.460 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 69.138 17.025 0.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 70.539 16.602 -0.480 1.00 0.00 H new ATOM 2160 N GLN B 581 69.652 17.178 4.095 1.00 0.00 N ATOM 2161 CA GLN B 581 68.156 17.106 4.208 1.00 0.00 C ATOM 2162 C GLN B 581 67.609 15.721 4.552 1.00 0.00 C ATOM 2163 O GLN B 581 68.031 14.711 4.025 1.00 0.00 O ATOM 2164 CB GLN B 581 67.509 17.607 2.922 1.00 0.00 C ATOM 2165 CG GLN B 581 66.015 17.865 3.160 1.00 0.00 C ATOM 2166 CD GLN B 581 65.833 19.146 3.967 1.00 0.00 C ATOM 2167 OE1 GLN B 581 65.508 20.182 3.422 1.00 0.00 O ATOM 2168 NE2 GLN B 581 66.031 19.121 5.251 1.00 0.00 N ATOM 0 H GLN B 581 70.137 16.297 3.927 1.00 0.00 H new ATOM 0 HA GLN B 581 67.897 17.748 5.050 1.00 0.00 H new ATOM 0 HB2 GLN B 581 67.998 18.523 2.591 1.00 0.00 H new ATOM 0 HB3 GLN B 581 67.639 16.872 2.128 1.00 0.00 H new ATOM 0 HG2 GLN B 581 65.495 17.949 2.206 1.00 0.00 H new ATOM 0 HG3 GLN B 581 65.572 17.023 3.692 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.304 18.251 5.708 1.00 0.00 H new ATOM 0 HE22 GLN B 581 65.914 19.971 5.802 1.00 0.00 H new ATOM 2177 N LEU B 582 66.600 15.702 5.385 1.00 0.00 N ATOM 2178 CA LEU B 582 65.903 14.430 5.743 1.00 0.00 C ATOM 2179 C LEU B 582 64.391 14.669 5.680 1.00 0.00 C ATOM 2180 O LEU B 582 63.935 15.787 5.555 1.00 0.00 O ATOM 2181 CB LEU B 582 66.306 14.021 7.152 1.00 0.00 C ATOM 2182 CG LEU B 582 65.864 12.582 7.491 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.459 11.580 6.476 1.00 0.00 C ATOM 2184 CD2 LEU B 582 66.345 12.246 8.917 1.00 0.00 C ATOM 0 H LEU B 582 66.222 16.532 5.841 1.00 0.00 H new ATOM 0 HA LEU B 582 66.178 13.636 5.049 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.388 14.101 7.256 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.865 14.713 7.869 1.00 0.00 H new ATOM 0 HG LEU B 582 64.778 12.509 7.438 1.00 0.00 H new ATOM 0 HD11 LEU B 582 66.137 10.570 6.730 1.00 0.00 H new ATOM 0 HD12 LEU B 582 66.113 11.829 5.473 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.547 11.633 6.508 1.00 0.00 H new ATOM 0 HD21 LEU B 582 66.041 11.231 9.174 1.00 0.00 H new ATOM 0 HD22 LEU B 582 67.431 12.322 8.962 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.903 12.947 9.625 1.00 0.00 H new ATOM 2196 N ASN B 583 63.613 13.624 5.765 1.00 0.00 N ATOM 2197 CA ASN B 583 62.127 13.776 5.707 1.00 0.00 C ATOM 2198 C ASN B 583 61.482 12.732 6.619 1.00 0.00 C ATOM 2199 O ASN B 583 61.757 11.553 6.526 1.00 0.00 O ATOM 2200 CB ASN B 583 61.646 13.562 4.264 1.00 0.00 C ATOM 2201 CG ASN B 583 61.853 14.835 3.451 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.168 15.877 3.990 1.00 0.00 O ATOM 2203 ND2 ASN B 583 61.681 14.791 2.162 1.00 0.00 N ATOM 0 H ASN B 583 63.943 12.665 5.873 1.00 0.00 H new ATOM 0 HA ASN B 583 61.846 14.776 6.036 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.193 12.737 3.808 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.592 13.286 4.261 1.00 0.00 H new ATOM 0 HD21 ASN B 583 61.811 15.633 1.601 1.00 0.00 H new ATOM 0 HD22 ASN B 583 61.417 13.914 1.712 1.00 0.00 H new ATOM 2210 N LYS B 584 60.617 13.163 7.490 1.00 0.00 N ATOM 2211 CA LYS B 584 59.935 12.218 8.414 1.00 0.00 C ATOM 2212 C LYS B 584 59.328 11.066 7.616 1.00 0.00 C ATOM 2213 O LYS B 584 59.050 10.007 8.142 1.00 0.00 O ATOM 2214 CB LYS B 584 58.809 12.958 9.124 1.00 0.00 C ATOM 2215 CG LYS B 584 57.976 13.694 8.064 1.00 0.00 C ATOM 2216 CD LYS B 584 56.805 14.449 8.707 1.00 0.00 C ATOM 2217 CE LYS B 584 55.997 13.522 9.620 1.00 0.00 C ATOM 2218 NZ LYS B 584 54.624 14.075 9.796 1.00 0.00 N ATOM 0 H LYS B 584 60.350 14.141 7.603 1.00 0.00 H new ATOM 0 HA LYS B 584 60.655 11.828 9.134 1.00 0.00 H new ATOM 0 HB2 LYS B 584 58.185 12.258 9.679 1.00 0.00 H new ATOM 0 HB3 LYS B 584 59.215 13.665 9.847 1.00 0.00 H new ATOM 0 HG2 LYS B 584 58.610 14.395 7.521 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.595 12.978 7.335 1.00 0.00 H new ATOM 0 HD2 LYS B 584 57.183 15.294 9.282 1.00 0.00 H new ATOM 0 HD3 LYS B 584 56.158 14.856 7.930 1.00 0.00 H new ATOM 0 HE2 LYS B 584 55.946 12.522 9.188 1.00 0.00 H new ATOM 0 HE3 LYS B 584 56.489 13.427 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 54.263 13.816 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 54.653 15.111 9.710 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 53.996 13.685 9.065 1.00 0.00 H new ATOM 2232 N GLY B 585 59.103 11.276 6.352 1.00 0.00 N ATOM 2233 CA GLY B 585 58.498 10.210 5.511 1.00 0.00 C ATOM 2234 C GLY B 585 59.592 9.273 5.033 1.00 0.00 C ATOM 2235 O GLY B 585 59.344 8.149 4.644 1.00 0.00 O ATOM 0 H GLY B 585 59.313 12.146 5.862 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.753 9.657 6.083 1.00 0.00 H new ATOM 0 HA3 GLY B 585 57.982 10.651 4.658 1.00 0.00 H new ATOM 2239 N THR B 586 60.806 9.736 5.066 1.00 0.00 N ATOM 2240 CA THR B 586 61.959 8.900 4.625 1.00 0.00 C ATOM 2241 C THR B 586 63.064 9.015 5.660 1.00 0.00 C ATOM 2242 O THR B 586 64.233 8.894 5.352 1.00 0.00 O ATOM 2243 CB THR B 586 62.468 9.407 3.275 1.00 0.00 C ATOM 2244 OG1 THR B 586 63.397 10.462 3.488 1.00 0.00 O ATOM 2245 CG2 THR B 586 61.281 9.923 2.459 1.00 0.00 C ATOM 0 H THR B 586 61.055 10.672 5.384 1.00 0.00 H new ATOM 0 HA THR B 586 61.650 7.860 4.523 1.00 0.00 H new ATOM 0 HB THR B 586 62.960 8.598 2.735 1.00 0.00 H new ATOM 0 HG1 THR B 586 64.198 10.109 3.929 1.00 0.00 H new ATOM 0 HG21 THR B 586 61.634 10.287 1.494 1.00 0.00 H new ATOM 0 HG22 THR B 586 60.568 9.114 2.303 1.00 0.00 H new ATOM 0 HG23 THR B 586 60.795 10.736 2.998 1.00 0.00 H new ATOM 2253 N PHE B 587 62.706 9.257 6.894 1.00 0.00 N ATOM 2254 CA PHE B 587 63.756 9.388 7.952 1.00 0.00 C ATOM 2255 C PHE B 587 64.062 8.017 8.562 1.00 0.00 C ATOM 2256 O PHE B 587 63.313 7.457 9.336 1.00 0.00 O ATOM 2257 CB PHE B 587 63.316 10.390 9.036 1.00 0.00 C ATOM 2258 CG PHE B 587 62.393 9.751 10.065 1.00 0.00 C ATOM 2259 CD1 PHE B 587 61.269 9.018 9.657 1.00 0.00 C ATOM 2260 CD2 PHE B 587 62.666 9.900 11.433 1.00 0.00 C ATOM 2261 CE1 PHE B 587 60.425 8.438 10.613 1.00 0.00 C ATOM 2262 CE2 PHE B 587 61.822 9.319 12.386 1.00 0.00 C ATOM 2263 CZ PHE B 587 60.702 8.588 11.976 1.00 0.00 C ATOM 0 H PHE B 587 61.744 9.369 7.214 1.00 0.00 H new ATOM 0 HA PHE B 587 64.668 9.773 7.495 1.00 0.00 H new ATOM 0 HB2 PHE B 587 64.197 10.790 9.538 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.807 11.232 8.566 1.00 0.00 H new ATOM 0 HD1 PHE B 587 61.054 8.901 8.605 1.00 0.00 H new ATOM 0 HD2 PHE B 587 63.530 10.465 11.751 1.00 0.00 H new ATOM 0 HE1 PHE B 587 59.559 7.874 10.297 1.00 0.00 H new ATOM 0 HE2 PHE B 587 62.035 9.435 13.438 1.00 0.00 H new ATOM 0 HZ PHE B 587 60.051 8.139 12.712 1.00 0.00 H new ATOM 2273 N LYS B 588 65.189 7.490 8.199 1.00 0.00 N ATOM 2274 CA LYS B 588 65.642 6.168 8.708 1.00 0.00 C ATOM 2275 C LYS B 588 66.604 6.438 9.870 1.00 0.00 C ATOM 2276 O LYS B 588 67.016 7.559 10.087 1.00 0.00 O ATOM 2277 CB LYS B 588 66.345 5.429 7.539 1.00 0.00 C ATOM 2278 CG LYS B 588 65.894 3.951 7.395 1.00 0.00 C ATOM 2279 CD LYS B 588 64.357 3.752 7.356 1.00 0.00 C ATOM 2280 CE LYS B 588 63.628 4.913 6.664 1.00 0.00 C ATOM 2281 NZ LYS B 588 62.349 4.410 6.091 1.00 0.00 N ATOM 0 H LYS B 588 65.838 7.933 7.549 1.00 0.00 H new ATOM 0 HA LYS B 588 64.821 5.546 9.065 1.00 0.00 H new ATOM 0 HB2 LYS B 588 66.141 5.957 6.608 1.00 0.00 H new ATOM 0 HB3 LYS B 588 67.424 5.460 7.693 1.00 0.00 H new ATOM 0 HG2 LYS B 588 66.325 3.540 6.482 1.00 0.00 H new ATOM 0 HG3 LYS B 588 66.302 3.377 8.227 1.00 0.00 H new ATOM 0 HD2 LYS B 588 64.128 2.822 6.835 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.982 3.648 8.374 1.00 0.00 H new ATOM 0 HE2 LYS B 588 63.432 5.713 7.378 1.00 0.00 H new ATOM 0 HE3 LYS B 588 64.253 5.334 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.849 5.191 5.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.550 3.660 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.754 4.027 6.853 1.00 0.00 H new ATOM 2295 N GLU B 589 66.947 5.441 10.635 1.00 0.00 N ATOM 2296 CA GLU B 589 67.860 5.687 11.791 1.00 0.00 C ATOM 2297 C GLU B 589 68.655 4.432 12.126 1.00 0.00 C ATOM 2298 O GLU B 589 68.270 3.316 11.834 1.00 0.00 O ATOM 2299 CB GLU B 589 67.030 6.133 13.010 1.00 0.00 C ATOM 2300 CG GLU B 589 67.801 5.913 14.322 1.00 0.00 C ATOM 2301 CD GLU B 589 67.088 6.651 15.456 1.00 0.00 C ATOM 2302 OE1 GLU B 589 66.983 7.863 15.374 1.00 0.00 O ATOM 2303 OE2 GLU B 589 66.661 5.990 16.388 1.00 0.00 O ATOM 0 H GLU B 589 66.640 4.476 10.515 1.00 0.00 H new ATOM 0 HA GLU B 589 68.566 6.473 11.524 1.00 0.00 H new ATOM 0 HB2 GLU B 589 66.771 7.187 12.910 1.00 0.00 H new ATOM 0 HB3 GLU B 589 66.093 5.576 13.038 1.00 0.00 H new ATOM 0 HG2 GLU B 589 67.862 4.848 14.547 1.00 0.00 H new ATOM 0 HG3 GLU B 589 68.824 6.277 14.222 1.00 0.00 H new ATOM 2310 N GLN B 590 69.758 4.643 12.767 1.00 0.00 N ATOM 2311 CA GLN B 590 70.636 3.535 13.193 1.00 0.00 C ATOM 2312 C GLN B 590 71.437 4.049 14.385 1.00 0.00 C ATOM 2313 O GLN B 590 71.775 5.214 14.453 1.00 0.00 O ATOM 2314 CB GLN B 590 71.586 3.132 12.051 1.00 0.00 C ATOM 2315 CG GLN B 590 72.116 1.694 12.277 1.00 0.00 C ATOM 2316 CD GLN B 590 71.310 0.688 11.447 1.00 0.00 C ATOM 2317 OE1 GLN B 590 70.212 0.320 11.813 1.00 0.00 O ATOM 2318 NE2 GLN B 590 71.819 0.224 10.338 1.00 0.00 N ATOM 0 H GLN B 590 70.098 5.570 13.022 1.00 0.00 H new ATOM 0 HA GLN B 590 70.052 2.654 13.459 1.00 0.00 H new ATOM 0 HB2 GLN B 590 71.063 3.189 11.096 1.00 0.00 H new ATOM 0 HB3 GLN B 590 72.421 3.831 11.999 1.00 0.00 H new ATOM 0 HG2 GLN B 590 73.169 1.641 12.001 1.00 0.00 H new ATOM 0 HG3 GLN B 590 72.050 1.438 13.334 1.00 0.00 H new ATOM 0 HE21 GLN B 590 72.741 0.534 10.031 1.00 0.00 H new ATOM 0 HE22 GLN B 590 71.294 -0.448 9.778 1.00 0.00 H new ATOM 2327 N ASN B 591 71.743 3.208 15.325 1.00 0.00 N ATOM 2328 CA ASN B 591 72.519 3.663 16.514 1.00 0.00 C ATOM 2329 C ASN B 591 71.935 4.989 17.050 1.00 0.00 C ATOM 2330 O ASN B 591 72.615 5.732 17.724 1.00 0.00 O ATOM 2331 CB ASN B 591 74.022 3.831 16.155 1.00 0.00 C ATOM 2332 CG ASN B 591 74.210 3.938 14.647 1.00 0.00 C ATOM 2333 OD1 ASN B 591 74.723 4.920 14.149 1.00 0.00 O ATOM 2334 ND2 ASN B 591 73.811 2.958 13.900 1.00 0.00 N ATOM 0 H ASN B 591 71.490 2.220 15.325 1.00 0.00 H new ATOM 0 HA ASN B 591 72.441 2.906 17.294 1.00 0.00 H new ATOM 0 HB2 ASN B 591 74.419 4.723 16.640 1.00 0.00 H new ATOM 0 HB3 ASN B 591 74.589 2.982 16.537 1.00 0.00 H new ATOM 0 HD21 ASN B 591 73.927 3.008 12.888 1.00 0.00 H new ATOM 0 HD22 ASN B 591 73.381 2.136 14.324 1.00 0.00 H new ATOM 2341 N ASP B 592 70.676 5.265 16.769 1.00 0.00 N ATOM 2342 CA ASP B 592 70.008 6.520 17.273 1.00 0.00 C ATOM 2343 C ASP B 592 70.350 7.720 16.386 1.00 0.00 C ATOM 2344 O ASP B 592 69.846 8.808 16.579 1.00 0.00 O ATOM 2345 CB ASP B 592 70.455 6.831 18.707 1.00 0.00 C ATOM 2346 CG ASP B 592 70.601 5.532 19.504 1.00 0.00 C ATOM 2347 OD1 ASP B 592 71.632 5.358 20.133 1.00 0.00 O ATOM 2348 OD2 ASP B 592 69.679 4.734 19.472 1.00 0.00 O ATOM 0 H ASP B 592 70.074 4.666 16.204 1.00 0.00 H new ATOM 0 HA ASP B 592 68.932 6.346 17.249 1.00 0.00 H new ATOM 0 HB2 ASP B 592 71.404 7.367 18.693 1.00 0.00 H new ATOM 0 HB3 ASP B 592 69.728 7.484 19.190 1.00 0.00 H new ATOM 2353 N LYS B 593 71.206 7.538 15.432 1.00 0.00 N ATOM 2354 CA LYS B 593 71.593 8.663 14.547 1.00 0.00 C ATOM 2355 C LYS B 593 70.636 8.713 13.342 1.00 0.00 C ATOM 2356 O LYS B 593 70.518 7.739 12.628 1.00 0.00 O ATOM 2357 CB LYS B 593 73.011 8.399 14.061 1.00 0.00 C ATOM 2358 CG LYS B 593 73.957 8.212 15.268 1.00 0.00 C ATOM 2359 CD LYS B 593 75.369 8.694 14.913 1.00 0.00 C ATOM 2360 CE LYS B 593 76.255 8.648 16.160 1.00 0.00 C ATOM 2361 NZ LYS B 593 75.746 9.620 17.169 1.00 0.00 N ATOM 0 H LYS B 593 71.660 6.649 15.223 1.00 0.00 H new ATOM 0 HA LYS B 593 71.541 9.612 15.080 1.00 0.00 H new ATOM 0 HB2 LYS B 593 73.029 7.508 13.433 1.00 0.00 H new ATOM 0 HB3 LYS B 593 73.354 9.230 13.445 1.00 0.00 H new ATOM 0 HG2 LYS B 593 73.579 8.769 16.125 1.00 0.00 H new ATOM 0 HG3 LYS B 593 73.985 7.162 15.558 1.00 0.00 H new ATOM 0 HD2 LYS B 593 75.793 8.065 14.130 1.00 0.00 H new ATOM 0 HD3 LYS B 593 75.329 9.710 14.520 1.00 0.00 H new ATOM 0 HE2 LYS B 593 76.259 7.642 16.579 1.00 0.00 H new ATOM 0 HE3 LYS B 593 77.285 8.888 15.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 76.519 9.894 17.808 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 75.381 10.465 16.684 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 74.981 9.180 17.720 1.00 0.00 H new ATOM 2375 N PRO B 594 69.950 9.815 13.086 1.00 0.00 N ATOM 2376 CA PRO B 594 69.029 9.867 11.917 1.00 0.00 C ATOM 2377 C PRO B 594 69.700 9.355 10.635 1.00 0.00 C ATOM 2378 O PRO B 594 70.905 9.217 10.571 1.00 0.00 O ATOM 2379 CB PRO B 594 68.710 11.363 11.845 1.00 0.00 C ATOM 2380 CG PRO B 594 68.960 11.951 13.232 1.00 0.00 C ATOM 2381 CD PRO B 594 70.018 11.066 13.907 1.00 0.00 C ATOM 0 HA PRO B 594 68.147 9.234 12.018 1.00 0.00 H new ATOM 0 HB2 PRO B 594 69.338 11.854 11.101 1.00 0.00 H new ATOM 0 HB3 PRO B 594 67.675 11.520 11.542 1.00 0.00 H new ATOM 0 HG2 PRO B 594 69.308 12.981 13.158 1.00 0.00 H new ATOM 0 HG3 PRO B 594 68.040 11.967 13.816 1.00 0.00 H new ATOM 0 HD2 PRO B 594 71.009 11.520 13.877 1.00 0.00 H new ATOM 0 HD3 PRO B 594 69.785 10.879 14.955 1.00 0.00 H new ATOM 2389 N TYR B 595 68.933 9.046 9.625 1.00 0.00 N ATOM 2390 CA TYR B 595 69.549 8.515 8.371 1.00 0.00 C ATOM 2391 C TYR B 595 68.512 8.446 7.246 1.00 0.00 C ATOM 2392 O TYR B 595 67.421 7.967 7.441 1.00 0.00 O ATOM 2393 CB TYR B 595 70.034 7.072 8.625 1.00 0.00 C ATOM 2394 CG TYR B 595 71.448 7.029 9.165 1.00 0.00 C ATOM 2395 CD1 TYR B 595 72.499 7.520 8.392 1.00 0.00 C ATOM 2396 CD2 TYR B 595 71.711 6.459 10.419 1.00 0.00 C ATOM 2397 CE1 TYR B 595 73.817 7.447 8.870 1.00 0.00 C ATOM 2398 CE2 TYR B 595 73.026 6.391 10.894 1.00 0.00 C ATOM 2399 CZ TYR B 595 74.077 6.884 10.119 1.00 0.00 C ATOM 2400 OH TYR B 595 75.372 6.813 10.587 1.00 0.00 O ATOM 0 H TYR B 595 67.917 9.136 9.611 1.00 0.00 H new ATOM 0 HA TYR B 595 70.368 9.175 8.087 1.00 0.00 H new ATOM 0 HB2 TYR B 595 69.362 6.584 9.331 1.00 0.00 H new ATOM 0 HB3 TYR B 595 69.985 6.505 7.695 1.00 0.00 H new ATOM 0 HD1 TYR B 595 72.299 7.957 7.425 1.00 0.00 H new ATOM 0 HD2 TYR B 595 70.900 6.073 11.018 1.00 0.00 H new ATOM 0 HE1 TYR B 595 74.630 7.827 8.270 1.00 0.00 H new ATOM 0 HE2 TYR B 595 73.228 5.956 11.862 1.00 0.00 H new ATOM 0 HH TYR B 595 75.472 7.403 11.363 1.00 0.00 H new ATOM 2410 N CYS B 596 68.870 8.815 6.048 1.00 0.00 N ATOM 2411 CA CYS B 596 67.902 8.636 4.935 1.00 0.00 C ATOM 2412 C CYS B 596 67.926 7.156 4.641 1.00 0.00 C ATOM 2413 O CYS B 596 68.896 6.486 4.940 1.00 0.00 O ATOM 2414 CB CYS B 596 68.326 9.378 3.661 1.00 0.00 C ATOM 2415 SG CYS B 596 68.681 11.108 4.003 1.00 0.00 S ATOM 0 H CYS B 596 69.770 9.224 5.796 1.00 0.00 H new ATOM 0 HA CYS B 596 66.925 9.026 5.221 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.208 8.900 3.235 1.00 0.00 H new ATOM 0 HB3 CYS B 596 67.534 9.307 2.915 1.00 0.00 H new ATOM 2420 N GLN B 597 66.913 6.619 4.054 1.00 0.00 N ATOM 2421 CA GLN B 597 66.981 5.177 3.762 1.00 0.00 C ATOM 2422 C GLN B 597 68.174 4.976 2.825 1.00 0.00 C ATOM 2423 O GLN B 597 69.087 4.229 3.110 1.00 0.00 O ATOM 2424 CB GLN B 597 65.643 4.716 3.138 1.00 0.00 C ATOM 2425 CG GLN B 597 65.818 3.489 2.224 1.00 0.00 C ATOM 2426 CD GLN B 597 65.762 2.211 3.058 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.258 1.199 2.615 1.00 0.00 O ATOM 2428 NE2 GLN B 597 66.263 2.222 4.256 1.00 0.00 N ATOM 0 H GLN B 597 66.060 7.099 3.769 1.00 0.00 H new ATOM 0 HA GLN B 597 67.125 4.574 4.659 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.937 4.477 3.933 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.211 5.536 2.564 1.00 0.00 H new ATOM 0 HG2 GLN B 597 65.035 3.474 1.466 1.00 0.00 H new ATOM 0 HG3 GLN B 597 66.770 3.549 1.697 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.685 3.074 4.624 1.00 0.00 H new ATOM 0 HE22 GLN B 597 66.234 1.378 4.829 1.00 0.00 H new ATOM 2437 N ASN B 598 68.169 5.653 1.714 1.00 0.00 N ATOM 2438 CA ASN B 598 69.290 5.526 0.745 1.00 0.00 C ATOM 2439 C ASN B 598 70.622 5.609 1.490 1.00 0.00 C ATOM 2440 O ASN B 598 71.618 5.067 1.059 1.00 0.00 O ATOM 2441 CB ASN B 598 69.191 6.661 -0.282 1.00 0.00 C ATOM 2442 CG ASN B 598 67.726 6.968 -0.554 1.00 0.00 C ATOM 2443 OD1 ASN B 598 67.297 8.101 -0.463 1.00 0.00 O ATOM 2444 ND2 ASN B 598 66.940 5.994 -0.884 1.00 0.00 N ATOM 0 H ASN B 598 67.429 6.296 1.433 1.00 0.00 H new ATOM 0 HA ASN B 598 69.232 4.566 0.233 1.00 0.00 H new ATOM 0 HB2 ASN B 598 69.697 7.551 0.093 1.00 0.00 H new ATOM 0 HB3 ASN B 598 69.692 6.375 -1.207 1.00 0.00 H new ATOM 0 HD21 ASN B 598 65.954 6.175 -1.070 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.307 5.045 -0.959 1.00 0.00 H new ATOM 2451 N CYS B 599 70.642 6.282 2.607 1.00 0.00 N ATOM 2452 CA CYS B 599 71.894 6.401 3.391 1.00 0.00 C ATOM 2453 C CYS B 599 72.033 5.178 4.295 1.00 0.00 C ATOM 2454 O CYS B 599 72.984 4.438 4.197 1.00 0.00 O ATOM 2455 CB CYS B 599 71.834 7.671 4.238 1.00 0.00 C ATOM 2456 SG CYS B 599 71.891 9.122 3.155 1.00 0.00 S ATOM 0 H CYS B 599 69.835 6.757 3.010 1.00 0.00 H new ATOM 0 HA CYS B 599 72.753 6.455 2.722 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.920 7.682 4.831 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.669 7.694 4.938 1.00 0.00 H new ATOM 2461 N PHE B 600 71.082 4.952 5.166 1.00 0.00 N ATOM 2462 CA PHE B 600 71.154 3.769 6.071 1.00 0.00 C ATOM 2463 C PHE B 600 71.327 2.510 5.217 1.00 0.00 C ATOM 2464 O PHE B 600 72.194 1.694 5.464 1.00 0.00 O ATOM 2465 CB PHE B 600 69.851 3.711 6.911 1.00 0.00 C ATOM 2466 CG PHE B 600 69.409 2.283 7.184 1.00 0.00 C ATOM 2467 CD1 PHE B 600 69.733 1.667 8.397 1.00 0.00 C ATOM 2468 CD2 PHE B 600 68.665 1.587 6.225 1.00 0.00 C ATOM 2469 CE1 PHE B 600 69.315 0.355 8.651 1.00 0.00 C ATOM 2470 CE2 PHE B 600 68.248 0.274 6.477 1.00 0.00 C ATOM 2471 CZ PHE B 600 68.573 -0.342 7.690 1.00 0.00 C ATOM 0 H PHE B 600 70.257 5.539 5.288 1.00 0.00 H new ATOM 0 HA PHE B 600 72.002 3.842 6.752 1.00 0.00 H new ATOM 0 HB2 PHE B 600 70.007 4.229 7.857 1.00 0.00 H new ATOM 0 HB3 PHE B 600 69.057 4.241 6.385 1.00 0.00 H new ATOM 0 HD1 PHE B 600 70.306 2.204 9.139 1.00 0.00 H new ATOM 0 HD2 PHE B 600 68.412 2.063 5.289 1.00 0.00 H new ATOM 0 HE1 PHE B 600 69.565 -0.119 9.588 1.00 0.00 H new ATOM 0 HE2 PHE B 600 67.676 -0.263 5.735 1.00 0.00 H new ATOM 0 HZ PHE B 600 68.252 -1.355 7.885 1.00 0.00 H new ATOM 2481 N LEU B 601 70.513 2.350 4.216 1.00 0.00 N ATOM 2482 CA LEU B 601 70.637 1.151 3.350 1.00 0.00 C ATOM 2483 C LEU B 601 72.068 1.102 2.813 1.00 0.00 C ATOM 2484 O LEU B 601 72.679 0.055 2.728 1.00 0.00 O ATOM 2485 CB LEU B 601 69.566 1.238 2.226 1.00 0.00 C ATOM 2486 CG LEU B 601 70.162 1.602 0.838 1.00 0.00 C ATOM 2487 CD1 LEU B 601 71.018 0.435 0.277 1.00 0.00 C ATOM 2488 CD2 LEU B 601 69.013 1.904 -0.143 1.00 0.00 C ATOM 0 H LEU B 601 69.767 2.997 3.960 1.00 0.00 H new ATOM 0 HA LEU B 601 70.455 0.225 3.896 1.00 0.00 H new ATOM 0 HB2 LEU B 601 69.048 0.282 2.152 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.820 1.984 2.501 1.00 0.00 H new ATOM 0 HG LEU B 601 70.802 2.477 0.954 1.00 0.00 H new ATOM 0 HD11 LEU B 601 71.423 0.716 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU B 601 71.837 0.222 0.964 1.00 0.00 H new ATOM 0 HD13 LEU B 601 70.395 -0.453 0.168 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.426 2.160 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU B 601 68.375 1.025 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.424 2.741 0.233 1.00 0.00 H new ATOM 2500 N LYS B 602 72.603 2.232 2.454 1.00 0.00 N ATOM 2501 CA LYS B 602 74.000 2.264 1.923 1.00 0.00 C ATOM 2502 C LYS B 602 74.935 1.519 2.891 1.00 0.00 C ATOM 2503 O LYS B 602 75.972 1.018 2.505 1.00 0.00 O ATOM 2504 CB LYS B 602 74.479 3.741 1.789 1.00 0.00 C ATOM 2505 CG LYS B 602 75.048 4.027 0.394 1.00 0.00 C ATOM 2506 CD LYS B 602 76.255 3.125 0.105 1.00 0.00 C ATOM 2507 CE LYS B 602 77.153 3.782 -0.955 1.00 0.00 C ATOM 2508 NZ LYS B 602 78.083 4.742 -0.295 1.00 0.00 N ATOM 0 H LYS B 602 72.137 3.138 2.504 1.00 0.00 H new ATOM 0 HA LYS B 602 74.021 1.783 0.945 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.645 4.414 1.987 1.00 0.00 H new ATOM 0 HB3 LYS B 602 75.240 3.947 2.542 1.00 0.00 H new ATOM 0 HG2 LYS B 602 74.277 3.864 -0.359 1.00 0.00 H new ATOM 0 HG3 LYS B 602 75.345 5.073 0.324 1.00 0.00 H new ATOM 0 HD2 LYS B 602 76.822 2.956 1.021 1.00 0.00 H new ATOM 0 HD3 LYS B 602 75.916 2.150 -0.245 1.00 0.00 H new ATOM 0 HE2 LYS B 602 77.720 3.020 -1.489 1.00 0.00 H new ATOM 0 HE3 LYS B 602 76.542 4.301 -1.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 78.349 5.488 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 77.613 5.171 0.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 78.937 4.238 0.018 1.00 0.00 H new ATOM 2522 N LEU B 603 74.601 1.498 4.156 1.00 0.00 N ATOM 2523 CA LEU B 603 75.496 0.851 5.169 1.00 0.00 C ATOM 2524 C LEU B 603 75.104 -0.612 5.435 1.00 0.00 C ATOM 2525 O LEU B 603 75.914 -1.508 5.299 1.00 0.00 O ATOM 2526 CB LEU B 603 75.423 1.662 6.483 1.00 0.00 C ATOM 2527 CG LEU B 603 75.073 3.133 6.190 1.00 0.00 C ATOM 2528 CD1 LEU B 603 75.012 3.910 7.502 1.00 0.00 C ATOM 2529 CD2 LEU B 603 76.141 3.771 5.292 1.00 0.00 C ATOM 0 H LEU B 603 73.744 1.902 4.535 1.00 0.00 H new ATOM 0 HA LEU B 603 76.513 0.845 4.777 1.00 0.00 H new ATOM 0 HB2 LEU B 603 74.673 1.228 7.144 1.00 0.00 H new ATOM 0 HB3 LEU B 603 76.378 1.606 7.005 1.00 0.00 H new ATOM 0 HG LEU B 603 74.109 3.166 5.683 1.00 0.00 H new ATOM 0 HD11 LEU B 603 74.764 4.952 7.297 1.00 0.00 H new ATOM 0 HD12 LEU B 603 74.248 3.476 8.147 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.980 3.859 8.001 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.877 4.810 5.095 1.00 0.00 H new ATOM 0 HD22 LEU B 603 77.109 3.730 5.792 1.00 0.00 H new ATOM 0 HD23 LEU B 603 76.197 3.226 4.350 1.00 0.00 H new ATOM 2541 N PHE B 604 73.887 -0.865 5.845 1.00 0.00 N ATOM 2542 CA PHE B 604 73.478 -2.274 6.154 1.00 0.00 C ATOM 2543 C PHE B 604 72.858 -2.939 4.919 1.00 0.00 C ATOM 2544 O PHE B 604 72.133 -3.907 5.030 1.00 0.00 O ATOM 2545 CB PHE B 604 72.462 -2.259 7.317 1.00 0.00 C ATOM 2546 CG PHE B 604 73.196 -2.325 8.641 1.00 0.00 C ATOM 2547 CD1 PHE B 604 73.774 -1.170 9.183 1.00 0.00 C ATOM 2548 CD2 PHE B 604 73.300 -3.544 9.323 1.00 0.00 C ATOM 2549 CE1 PHE B 604 74.456 -1.235 10.404 1.00 0.00 C ATOM 2550 CE2 PHE B 604 73.981 -3.608 10.544 1.00 0.00 C ATOM 2551 CZ PHE B 604 74.559 -2.453 11.085 1.00 0.00 C ATOM 0 H PHE B 604 73.160 -0.162 5.979 1.00 0.00 H new ATOM 0 HA PHE B 604 74.358 -2.849 6.442 1.00 0.00 H new ATOM 0 HB2 PHE B 604 71.856 -1.354 7.271 1.00 0.00 H new ATOM 0 HB3 PHE B 604 71.779 -3.104 7.227 1.00 0.00 H new ATOM 0 HD1 PHE B 604 73.694 -0.229 8.659 1.00 0.00 H new ATOM 0 HD2 PHE B 604 72.854 -4.435 8.906 1.00 0.00 H new ATOM 0 HE1 PHE B 604 74.903 -0.344 10.821 1.00 0.00 H new ATOM 0 HE2 PHE B 604 74.061 -4.548 11.069 1.00 0.00 H new ATOM 0 HZ PHE B 604 75.084 -2.502 12.027 1.00 0.00 H new ATOM 2561 N CYS B 605 73.151 -2.448 3.748 1.00 0.00 N ATOM 2562 CA CYS B 605 72.588 -3.075 2.517 1.00 0.00 C ATOM 2563 C CYS B 605 73.362 -2.560 1.297 1.00 0.00 C ATOM 2564 O CYS B 605 72.800 -1.780 0.547 1.00 0.00 O ATOM 2565 CB CYS B 605 71.095 -2.726 2.393 1.00 0.00 C ATOM 2566 SG CYS B 605 70.107 -3.964 3.270 1.00 0.00 S ATOM 2567 OXT CYS B 605 74.505 -2.955 1.138 1.00 0.00 O ATOM 0 H CYS B 605 73.755 -1.641 3.588 1.00 0.00 H new ATOM 0 HA CYS B 605 72.686 -4.159 2.573 1.00 0.00 H new ATOM 0 HB2 CYS B 605 70.907 -1.736 2.808 1.00 0.00 H new ATOM 0 HB3 CYS B 605 70.805 -2.692 1.343 1.00 0.00 H new ATOM 0 HG CYS B 605 70.748 -4.359 4.330 1.00 0.00 H new TER 2573 CYS B 605 HETATM 2574 ZN ZN B 701 65.699 24.482 14.595 1.00 0.00 ZN HETATM 2575 ZN ZN B 702 70.967 10.985 4.138 1.00 0.00 ZN