USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=37 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: A 45 MET CE :methyl 157:sc= -1.19 (180deg=-4.25!) USER MOD Set 1.2: B 602 LYS NZ :NH3+ -144:sc= -1.3 (180deg=-3.39!) USER MOD Set 2.1: B 562 THR OG1 : rot 178:sc= 0.216 USER MOD Set 2.2: B 567 LYS NZ :NH3+ 138:sc= 0.235 (180deg=0) USER MOD Set 3.1: A 74 LYS NZ :NH3+ 136:sc= -2.45! (180deg=-1.41) USER MOD Set 3.2: A 81 LYS NZ :NH3+ 161:sc= -4.58! (180deg=-6.23!) USER MOD Set 4.1: A 70 THR OG1 : rot 180:sc= 0.0944 USER MOD Set 4.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.196 (180deg=-1.41) 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 -17:sc= 1.01 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 44:sc= 0.0873 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -3.13! C(o=-3.1!,f=-2.4!) USER MOD Single : A 25 THR OG1 : rot -77:sc= -0.583 USER MOD Single : A 28 ASN : amide:sc= -2.04! K(o=-2!,f=-1.3) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -160:sc= -2.43! USER MOD Single : A 40 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.32) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc=-0.00664 (180deg=-0.306) USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= -4.35! (180deg=-7.29!) USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= -0.955 (180deg=-2.22!) USER MOD Single : A 56 LYS NZ :NH3+ -142:sc= -0.246 (180deg=-1.44!) USER MOD Single : A 59 SER OG : rot 144:sc= 0.3 USER MOD Single : A 61 HIS : no HE2:sc= -10.7! C(o=-11!,f=-13!) 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 75 THR OG1 : rot 141:sc= 0.0536 USER MOD Single : A 76 HIS : no HD1:sc= -2.88 K(o=-2.9,f=-6.3!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 85 GLN : amide:sc= -2.54! K(o=-2.5!,f=-1.6) USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.255) USER MOD Single : A 91 GLN : amide:sc= -2.95! C(o=-2.9!,f=-6.2!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.775 USER MOD Single : B 541 TYR OH : rot 180:sc= 0 USER MOD Single : B 542 HIS : no HD1:sc= -2.31! K(o=-2.3!,f=-0.95) USER MOD Single : B 547 SER OG : rot 49:sc= 1.26 USER MOD Single : B 550 SER OG : rot 180:sc= 0 USER MOD Single : B 553 GLN : amide:sc= -3.15! K(o=-3.2!,f=-1.2) USER MOD Single : B 554 LYS NZ :NH3+ 151:sc= -0.121 (180deg=-0.588) USER MOD Single : B 557 THR OG1 : rot 62:sc= 1.02 USER MOD Single : B 560 CYS SG : rot 30:sc= 0.4 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+ 159:sc= -0.0124 (180deg=-0.679) USER MOD Single : B 581 GLN : amide:sc= -4.13! C(o=-4.1!,f=-2.2!) USER MOD Single : B 583 ASN : amide:sc= -2! C(o=-2!,f=-3.7!) USER MOD Single : B 584 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.638) USER MOD Single : B 586 THR OG1 : rot 180:sc= -0.47 USER MOD Single : B 588 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 590 GLN : amide:sc= -3.91! C(o=-3.9!,f=-7.1!) USER MOD Single : B 591 ASN : amide:sc= -10.6! C(o=-11!,f=-5.7!) USER MOD Single : B 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 595 TYR OH : rot 0:sc= -0.833 USER MOD Single : B 597 GLN : amide:sc= -4.43! K(o=-4.4!,f=-0.056) USER MOD Single : B 598 ASN : amide:sc= -0.503 X(o=-0.5,f=-0.44) USER MOD Single : B 605 CYS SG : rot 34:sc= 0.0636 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 93.622 -24.078 7.895 1.00 0.00 N ATOM 2 CA MET A 1 94.310 -23.197 6.909 1.00 0.00 C ATOM 3 C MET A 1 95.428 -23.986 6.218 1.00 0.00 C ATOM 4 O MET A 1 95.191 -25.020 5.625 1.00 0.00 O ATOM 5 CB MET A 1 94.896 -21.980 7.634 1.00 0.00 C ATOM 6 CG MET A 1 95.223 -20.885 6.617 1.00 0.00 C ATOM 7 SD MET A 1 96.149 -19.561 7.432 1.00 0.00 S ATOM 8 CE MET A 1 94.872 -19.096 8.626 1.00 0.00 C ATOM 0 H1 MET A 1 92.863 -23.546 8.366 1.00 0.00 H new ATOM 0 H2 MET A 1 93.215 -24.899 7.403 1.00 0.00 H new ATOM 0 H3 MET A 1 94.307 -24.405 8.606 1.00 0.00 H new ATOM 0 HA MET A 1 93.597 -22.855 6.159 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.185 -21.606 8.370 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.797 -22.266 8.177 1.00 0.00 H new ATOM 0 HG2 MET A 1 95.807 -21.300 5.796 1.00 0.00 H new ATOM 0 HG3 MET A 1 94.304 -20.488 6.186 1.00 0.00 H new ATOM 0 HE1 MET A 1 95.038 -18.070 8.955 1.00 0.00 H new ATOM 0 HE2 MET A 1 93.891 -19.173 8.158 1.00 0.00 H new ATOM 0 HE3 MET A 1 94.917 -19.765 9.486 1.00 0.00 H new ATOM 18 N ALA A 2 96.643 -23.509 6.285 1.00 0.00 N ATOM 19 CA ALA A 2 97.768 -24.233 5.629 1.00 0.00 C ATOM 20 C ALA A 2 99.055 -23.920 6.378 1.00 0.00 C ATOM 21 O ALA A 2 99.770 -24.800 6.814 1.00 0.00 O ATOM 22 CB ALA A 2 97.902 -23.752 4.186 1.00 0.00 C ATOM 0 H ALA A 2 96.904 -22.648 6.766 1.00 0.00 H new ATOM 0 HA ALA A 2 97.578 -25.306 5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 2 98.724 -24.279 3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 2 96.975 -23.953 3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 2 98.102 -22.681 4.177 1.00 0.00 H new ATOM 28 N LEU A 3 99.346 -22.663 6.533 1.00 0.00 N ATOM 29 CA LEU A 3 100.570 -22.254 7.252 1.00 0.00 C ATOM 30 C LEU A 3 100.720 -23.047 8.534 1.00 0.00 C ATOM 31 O LEU A 3 101.479 -23.993 8.618 1.00 0.00 O ATOM 32 CB LEU A 3 100.430 -20.786 7.625 1.00 0.00 C ATOM 33 CG LEU A 3 100.402 -19.908 6.346 1.00 0.00 C ATOM 34 CD1 LEU A 3 98.981 -19.402 6.098 1.00 0.00 C ATOM 35 CD2 LEU A 3 101.322 -18.707 6.524 1.00 0.00 C ATOM 0 H LEU A 3 98.776 -21.892 6.185 1.00 0.00 H new ATOM 0 HA LEU A 3 101.437 -22.428 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 3 99.516 -20.635 8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 3 101.260 -20.485 8.264 1.00 0.00 H new ATOM 0 HG LEU A 3 100.736 -20.509 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 3 98.966 -18.786 5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 3 98.310 -20.251 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 3 98.652 -18.808 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 3 101.299 -18.094 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 3 100.986 -18.114 7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 3 102.341 -19.052 6.702 1.00 0.00 H new ATOM 47 N ASP A 4 100.011 -22.644 9.546 1.00 0.00 N ATOM 48 CA ASP A 4 100.111 -23.337 10.848 1.00 0.00 C ATOM 49 C ASP A 4 101.589 -23.472 11.201 1.00 0.00 C ATOM 50 O ASP A 4 101.986 -24.261 12.036 1.00 0.00 O ATOM 51 CB ASP A 4 99.465 -24.710 10.726 1.00 0.00 C ATOM 52 CG ASP A 4 99.716 -25.524 11.996 1.00 0.00 C ATOM 53 OD1 ASP A 4 100.339 -26.568 11.894 1.00 0.00 O ATOM 54 OD2 ASP A 4 99.280 -25.090 13.050 1.00 0.00 O ATOM 0 H ASP A 4 99.362 -21.857 9.523 1.00 0.00 H new ATOM 0 HA ASP A 4 99.599 -22.777 11.631 1.00 0.00 H new ATOM 0 HB2 ASP A 4 98.393 -24.603 10.560 1.00 0.00 H new ATOM 0 HB3 ASP A 4 99.871 -25.236 9.862 1.00 0.00 H new ATOM 59 N GLY A 5 102.402 -22.687 10.559 1.00 0.00 N ATOM 60 CA GLY A 5 103.863 -22.731 10.828 1.00 0.00 C ATOM 61 C GLY A 5 104.116 -22.138 12.199 1.00 0.00 C ATOM 62 O GLY A 5 105.212 -22.168 12.723 1.00 0.00 O ATOM 0 H GLY A 5 102.115 -22.010 9.852 1.00 0.00 H new ATOM 0 HA2 GLY A 5 104.225 -23.758 10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 5 104.406 -22.171 10.067 1.00 0.00 H new ATOM 66 N ILE A 6 103.091 -21.577 12.760 1.00 0.00 N ATOM 67 CA ILE A 6 103.190 -20.926 14.099 1.00 0.00 C ATOM 68 C ILE A 6 102.320 -21.712 15.100 1.00 0.00 C ATOM 69 O ILE A 6 102.694 -22.782 15.537 1.00 0.00 O ATOM 70 CB ILE A 6 102.719 -19.449 13.968 1.00 0.00 C ATOM 71 CG1 ILE A 6 101.852 -19.285 12.698 1.00 0.00 C ATOM 72 CG2 ILE A 6 103.926 -18.505 13.898 1.00 0.00 C ATOM 73 CD1 ILE A 6 102.714 -19.185 11.425 1.00 0.00 C ATOM 0 H ILE A 6 102.162 -21.538 12.340 1.00 0.00 H new ATOM 0 HA ILE A 6 104.217 -20.930 14.465 1.00 0.00 H new ATOM 0 HB ILE A 6 102.126 -19.193 14.846 1.00 0.00 H new ATOM 0 HG12 ILE A 6 101.172 -20.132 12.611 1.00 0.00 H new ATOM 0 HG13 ILE A 6 101.236 -18.390 12.791 1.00 0.00 H new ATOM 0 HG21 ILE A 6 103.578 -17.476 13.807 1.00 0.00 H new ATOM 0 HG22 ILE A 6 104.521 -18.608 14.805 1.00 0.00 H new ATOM 0 HG23 ILE A 6 104.537 -18.760 13.032 1.00 0.00 H new ATOM 0 HD11 ILE A 6 102.067 -19.071 10.555 1.00 0.00 H new ATOM 0 HD12 ILE A 6 103.376 -18.322 11.501 1.00 0.00 H new ATOM 0 HD13 ILE A 6 103.310 -20.091 11.317 1.00 0.00 H new ATOM 85 N ARG A 7 101.173 -21.200 15.479 1.00 0.00 N ATOM 86 CA ARG A 7 100.316 -21.929 16.451 1.00 0.00 C ATOM 87 C ARG A 7 98.847 -21.571 16.220 1.00 0.00 C ATOM 88 O ARG A 7 98.192 -22.152 15.377 1.00 0.00 O ATOM 89 CB ARG A 7 100.729 -21.553 17.877 1.00 0.00 C ATOM 90 CG ARG A 7 100.955 -20.027 18.011 1.00 0.00 C ATOM 91 CD ARG A 7 102.446 -19.696 17.898 1.00 0.00 C ATOM 92 NE ARG A 7 102.648 -18.233 18.091 1.00 0.00 N ATOM 93 CZ ARG A 7 103.824 -17.774 18.423 1.00 0.00 C ATOM 94 NH1 ARG A 7 104.000 -16.493 18.594 1.00 0.00 N ATOM 95 NH2 ARG A 7 104.822 -18.599 18.585 1.00 0.00 N ATOM 0 H ARG A 7 100.798 -20.309 15.154 1.00 0.00 H new ATOM 0 HA ARG A 7 100.443 -23.003 16.311 1.00 0.00 H new ATOM 0 HB2 ARG A 7 99.957 -21.872 18.578 1.00 0.00 H new ATOM 0 HB3 ARG A 7 101.643 -22.083 18.146 1.00 0.00 H new ATOM 0 HG2 ARG A 7 100.399 -19.501 17.235 1.00 0.00 H new ATOM 0 HG3 ARG A 7 100.570 -19.679 18.970 1.00 0.00 H new ATOM 0 HD2 ARG A 7 103.010 -20.253 18.646 1.00 0.00 H new ATOM 0 HD3 ARG A 7 102.824 -20.000 16.922 1.00 0.00 H new ATOM 0 HE ARG A 7 101.867 -17.589 17.964 1.00 0.00 H new ATOM 0 HH11 ARG A 7 103.219 -15.850 18.468 1.00 0.00 H new ATOM 0 HH12 ARG A 7 104.919 -16.135 18.853 1.00 0.00 H new ATOM 0 HH21 ARG A 7 104.682 -19.601 18.452 1.00 0.00 H new ATOM 0 HH22 ARG A 7 105.742 -18.242 18.844 1.00 0.00 H new ATOM 109 N MET A 8 98.311 -20.628 16.964 1.00 0.00 N ATOM 110 CA MET A 8 96.869 -20.256 16.775 1.00 0.00 C ATOM 111 C MET A 8 96.679 -18.728 16.933 1.00 0.00 C ATOM 112 O MET A 8 96.294 -18.084 15.984 1.00 0.00 O ATOM 113 CB MET A 8 95.977 -21.073 17.747 1.00 0.00 C ATOM 114 CG MET A 8 96.860 -21.965 18.640 1.00 0.00 C ATOM 115 SD MET A 8 95.833 -22.778 19.889 1.00 0.00 S ATOM 116 CE MET A 8 96.876 -24.237 20.130 1.00 0.00 C ATOM 0 H MET A 8 98.804 -20.105 17.687 1.00 0.00 H new ATOM 0 HA MET A 8 96.557 -20.508 15.762 1.00 0.00 H new ATOM 0 HB2 MET A 8 95.383 -20.399 18.364 1.00 0.00 H new ATOM 0 HB3 MET A 8 95.276 -21.688 17.182 1.00 0.00 H new ATOM 0 HG2 MET A 8 97.372 -22.712 18.033 1.00 0.00 H new ATOM 0 HG3 MET A 8 97.631 -21.364 19.123 1.00 0.00 H new ATOM 0 HE1 MET A 8 96.422 -24.890 20.876 1.00 0.00 H new ATOM 0 HE2 MET A 8 96.972 -24.775 19.187 1.00 0.00 H new ATOM 0 HE3 MET A 8 97.863 -23.926 20.473 1.00 0.00 H new ATOM 126 N PRO A 9 96.959 -18.114 18.071 1.00 0.00 N ATOM 127 CA PRO A 9 96.810 -16.633 18.201 1.00 0.00 C ATOM 128 C PRO A 9 97.402 -15.947 16.980 1.00 0.00 C ATOM 129 O PRO A 9 96.977 -14.891 16.554 1.00 0.00 O ATOM 130 CB PRO A 9 97.625 -16.313 19.450 1.00 0.00 C ATOM 131 CG PRO A 9 97.443 -17.512 20.297 1.00 0.00 C ATOM 132 CD PRO A 9 97.431 -18.704 19.336 1.00 0.00 C ATOM 0 HA PRO A 9 95.775 -16.299 18.273 1.00 0.00 H new ATOM 0 HB2 PRO A 9 98.675 -16.145 19.212 1.00 0.00 H new ATOM 0 HB3 PRO A 9 97.263 -15.412 19.946 1.00 0.00 H new ATOM 0 HG2 PRO A 9 98.250 -17.604 21.024 1.00 0.00 H new ATOM 0 HG3 PRO A 9 96.512 -17.455 20.861 1.00 0.00 H new ATOM 0 HD2 PRO A 9 98.422 -19.145 19.229 1.00 0.00 H new ATOM 0 HD3 PRO A 9 96.766 -19.495 19.684 1.00 0.00 H new ATOM 140 N ASP A 10 98.385 -16.587 16.418 1.00 0.00 N ATOM 141 CA ASP A 10 99.066 -16.061 15.198 1.00 0.00 C ATOM 142 C ASP A 10 98.897 -17.084 14.080 1.00 0.00 C ATOM 143 O ASP A 10 98.960 -16.766 12.909 1.00 0.00 O ATOM 144 CB ASP A 10 100.557 -15.861 15.496 1.00 0.00 C ATOM 145 CG ASP A 10 101.174 -14.928 14.451 1.00 0.00 C ATOM 146 OD1 ASP A 10 102.276 -15.210 14.012 1.00 0.00 O ATOM 147 OD2 ASP A 10 100.533 -13.948 14.109 1.00 0.00 O ATOM 0 H ASP A 10 98.756 -17.474 16.759 1.00 0.00 H new ATOM 0 HA ASP A 10 98.633 -15.106 14.900 1.00 0.00 H new ATOM 0 HB2 ASP A 10 100.685 -15.440 16.493 1.00 0.00 H new ATOM 0 HB3 ASP A 10 101.071 -16.822 15.488 1.00 0.00 H new ATOM 152 N GLY A 11 98.678 -18.317 14.444 1.00 0.00 N ATOM 153 CA GLY A 11 98.496 -19.386 13.424 1.00 0.00 C ATOM 154 C GLY A 11 97.013 -19.503 13.060 1.00 0.00 C ATOM 155 O GLY A 11 96.630 -20.305 12.231 1.00 0.00 O ATOM 0 H GLY A 11 98.617 -18.632 15.412 1.00 0.00 H new ATOM 0 HA2 GLY A 11 99.082 -19.157 12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 11 98.862 -20.337 13.810 1.00 0.00 H new ATOM 159 N CYS A 12 96.173 -18.718 13.679 1.00 0.00 N ATOM 160 CA CYS A 12 94.716 -18.799 13.368 1.00 0.00 C ATOM 161 C CYS A 12 93.944 -17.627 14.002 1.00 0.00 C ATOM 162 O CYS A 12 92.770 -17.464 13.750 1.00 0.00 O ATOM 163 CB CYS A 12 94.167 -20.111 13.919 1.00 0.00 C ATOM 164 SG CYS A 12 92.366 -20.135 13.742 1.00 0.00 S ATOM 0 H CYS A 12 96.431 -18.027 14.384 1.00 0.00 H new ATOM 0 HA CYS A 12 94.589 -18.750 12.287 1.00 0.00 H new ATOM 0 HB2 CYS A 12 94.607 -20.954 13.386 1.00 0.00 H new ATOM 0 HB3 CYS A 12 94.441 -20.220 14.968 1.00 0.00 H new ATOM 0 HG CYS A 12 91.934 -18.926 13.536 1.00 0.00 H new ATOM 170 N TYR A 13 94.581 -16.828 14.831 1.00 0.00 N ATOM 171 CA TYR A 13 93.892 -15.691 15.483 1.00 0.00 C ATOM 172 C TYR A 13 92.881 -16.235 16.482 1.00 0.00 C ATOM 173 O TYR A 13 93.145 -16.283 17.665 1.00 0.00 O ATOM 174 CB TYR A 13 93.204 -14.824 14.431 1.00 0.00 C ATOM 175 CG TYR A 13 94.126 -14.643 13.246 1.00 0.00 C ATOM 176 CD1 TYR A 13 93.863 -15.309 12.042 1.00 0.00 C ATOM 177 CD2 TYR A 13 95.246 -13.810 13.355 1.00 0.00 C ATOM 178 CE1 TYR A 13 94.720 -15.140 10.947 1.00 0.00 C ATOM 179 CE2 TYR A 13 96.102 -13.641 12.260 1.00 0.00 C ATOM 180 CZ TYR A 13 95.839 -14.306 11.056 1.00 0.00 C ATOM 181 OH TYR A 13 96.683 -14.140 9.977 1.00 0.00 O ATOM 0 H TYR A 13 95.565 -16.927 15.080 1.00 0.00 H new ATOM 0 HA TYR A 13 94.616 -15.070 16.010 1.00 0.00 H new ATOM 0 HB2 TYR A 13 92.272 -15.291 14.112 1.00 0.00 H new ATOM 0 HB3 TYR A 13 92.946 -13.854 14.856 1.00 0.00 H new ATOM 0 HD1 TYR A 13 93.000 -15.953 11.958 1.00 0.00 H new ATOM 0 HD2 TYR A 13 95.450 -13.298 14.284 1.00 0.00 H new ATOM 0 HE1 TYR A 13 94.517 -15.653 10.019 1.00 0.00 H new ATOM 0 HE2 TYR A 13 96.965 -12.998 12.344 1.00 0.00 H new ATOM 0 HH TYR A 13 97.409 -13.529 10.221 1.00 0.00 H new ATOM 191 N ALA A 14 91.733 -16.656 16.022 1.00 0.00 N ATOM 192 CA ALA A 14 90.710 -17.206 16.956 1.00 0.00 C ATOM 193 C ALA A 14 89.369 -17.298 16.232 1.00 0.00 C ATOM 194 O ALA A 14 88.630 -18.248 16.397 1.00 0.00 O ATOM 195 CB ALA A 14 90.597 -16.283 18.181 1.00 0.00 C ATOM 0 H ALA A 14 91.460 -16.642 15.039 1.00 0.00 H new ATOM 0 HA ALA A 14 91.001 -18.202 17.290 1.00 0.00 H new ATOM 0 HB1 ALA A 14 89.850 -16.680 18.868 1.00 0.00 H new ATOM 0 HB2 ALA A 14 91.562 -16.228 18.686 1.00 0.00 H new ATOM 0 HB3 ALA A 14 90.299 -15.285 17.859 1.00 0.00 H new ATOM 201 N ASP A 15 89.050 -16.318 15.432 1.00 0.00 N ATOM 202 CA ASP A 15 87.754 -16.343 14.691 1.00 0.00 C ATOM 203 C ASP A 15 87.962 -15.800 13.276 1.00 0.00 C ATOM 204 O ASP A 15 87.042 -15.735 12.485 1.00 0.00 O ATOM 205 CB ASP A 15 86.734 -15.472 15.429 1.00 0.00 C ATOM 206 CG ASP A 15 85.325 -15.793 14.926 1.00 0.00 C ATOM 207 OD1 ASP A 15 85.001 -15.378 13.825 1.00 0.00 O ATOM 208 OD2 ASP A 15 84.594 -16.449 15.650 1.00 0.00 O ATOM 0 H ASP A 15 89.632 -15.498 15.258 1.00 0.00 H new ATOM 0 HA ASP A 15 87.386 -17.367 14.633 1.00 0.00 H new ATOM 0 HB2 ASP A 15 86.797 -15.651 16.502 1.00 0.00 H new ATOM 0 HB3 ASP A 15 86.957 -14.417 15.268 1.00 0.00 H new ATOM 213 N GLY A 16 89.164 -15.408 12.949 1.00 0.00 N ATOM 214 CA GLY A 16 89.433 -14.866 11.584 1.00 0.00 C ATOM 215 C GLY A 16 89.181 -13.361 11.586 1.00 0.00 C ATOM 216 O GLY A 16 88.770 -12.787 10.597 1.00 0.00 O ATOM 0 H GLY A 16 89.973 -15.439 13.569 1.00 0.00 H new ATOM 0 HA2 GLY A 16 90.462 -15.075 11.293 1.00 0.00 H new ATOM 0 HA3 GLY A 16 88.790 -15.354 10.852 1.00 0.00 H new ATOM 220 N THR A 17 89.423 -12.718 12.694 1.00 0.00 N ATOM 221 CA THR A 17 89.199 -11.252 12.777 1.00 0.00 C ATOM 222 C THR A 17 90.438 -10.524 12.268 1.00 0.00 C ATOM 223 O THR A 17 91.530 -10.699 12.771 1.00 0.00 O ATOM 224 CB THR A 17 88.946 -10.863 14.239 1.00 0.00 C ATOM 225 OG1 THR A 17 89.810 -11.612 15.081 1.00 0.00 O ATOM 226 CG2 THR A 17 87.494 -11.158 14.607 1.00 0.00 C ATOM 0 H THR A 17 89.769 -13.150 13.551 1.00 0.00 H new ATOM 0 HA THR A 17 88.337 -10.976 12.169 1.00 0.00 H new ATOM 0 HB THR A 17 89.140 -9.798 14.369 1.00 0.00 H new ATOM 0 HG1 THR A 17 90.710 -11.631 14.693 1.00 0.00 H new ATOM 0 HG21 THR A 17 87.318 -10.880 15.646 1.00 0.00 H new ATOM 0 HG22 THR A 17 86.831 -10.583 13.961 1.00 0.00 H new ATOM 0 HG23 THR A 17 87.295 -12.222 14.477 1.00 0.00 H new ATOM 234 N TRP A 18 90.260 -9.698 11.280 1.00 0.00 N ATOM 235 CA TRP A 18 91.394 -8.919 10.711 1.00 0.00 C ATOM 236 C TRP A 18 90.953 -7.460 10.599 1.00 0.00 C ATOM 237 O TRP A 18 89.964 -7.149 9.965 1.00 0.00 O ATOM 238 CB TRP A 18 91.766 -9.473 9.318 1.00 0.00 C ATOM 239 CG TRP A 18 90.630 -10.262 8.738 1.00 0.00 C ATOM 240 CD1 TRP A 18 89.527 -9.735 8.157 1.00 0.00 C ATOM 241 CD2 TRP A 18 90.478 -11.710 8.666 1.00 0.00 C ATOM 242 NE1 TRP A 18 88.709 -10.769 7.732 1.00 0.00 N ATOM 243 CE2 TRP A 18 89.250 -12.004 8.026 1.00 0.00 C ATOM 244 CE3 TRP A 18 91.277 -12.786 9.092 1.00 0.00 C ATOM 245 CZ2 TRP A 18 88.832 -13.318 7.815 1.00 0.00 C ATOM 246 CZ3 TRP A 18 90.859 -14.110 8.881 1.00 0.00 C ATOM 247 CH2 TRP A 18 89.638 -14.375 8.244 1.00 0.00 C ATOM 0 H TRP A 18 89.360 -9.525 10.833 1.00 0.00 H new ATOM 0 HA TRP A 18 92.271 -8.998 11.353 1.00 0.00 H new ATOM 0 HB2 TRP A 18 92.021 -8.650 8.651 1.00 0.00 H new ATOM 0 HB3 TRP A 18 92.651 -10.105 9.397 1.00 0.00 H new ATOM 0 HD1 TRP A 18 89.319 -8.681 8.043 1.00 0.00 H new ATOM 0 HE1 TRP A 18 87.815 -10.634 7.259 1.00 0.00 H new ATOM 0 HE3 TRP A 18 92.218 -12.593 9.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 87.891 -13.517 7.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 91.481 -14.929 9.211 1.00 0.00 H new ATOM 0 HH2 TRP A 18 89.321 -15.395 8.085 1.00 0.00 H new ATOM 258 N GLU A 19 91.674 -6.560 11.208 1.00 0.00 N ATOM 259 CA GLU A 19 91.276 -5.126 11.123 1.00 0.00 C ATOM 260 C GLU A 19 91.705 -4.583 9.768 1.00 0.00 C ATOM 261 O GLU A 19 92.838 -4.733 9.357 1.00 0.00 O ATOM 262 CB GLU A 19 91.914 -4.292 12.267 1.00 0.00 C ATOM 263 CG GLU A 19 93.001 -5.100 12.966 1.00 0.00 C ATOM 264 CD GLU A 19 94.058 -5.532 11.949 1.00 0.00 C ATOM 265 OE1 GLU A 19 94.495 -4.689 11.183 1.00 0.00 O ATOM 266 OE2 GLU A 19 94.414 -6.699 11.953 1.00 0.00 O ATOM 0 H GLU A 19 92.513 -6.752 11.756 1.00 0.00 H new ATOM 0 HA GLU A 19 90.194 -5.049 11.232 1.00 0.00 H new ATOM 0 HB2 GLU A 19 92.337 -3.372 11.863 1.00 0.00 H new ATOM 0 HB3 GLU A 19 91.148 -4.002 12.986 1.00 0.00 H new ATOM 0 HG2 GLU A 19 93.462 -4.503 13.753 1.00 0.00 H new ATOM 0 HG3 GLU A 19 92.565 -5.976 13.445 1.00 0.00 H new ATOM 273 N LEU A 20 90.809 -3.945 9.071 1.00 0.00 N ATOM 274 CA LEU A 20 91.176 -3.388 7.748 1.00 0.00 C ATOM 275 C LEU A 20 91.838 -2.038 7.988 1.00 0.00 C ATOM 276 O LEU A 20 91.338 -1.218 8.726 1.00 0.00 O ATOM 277 CB LEU A 20 89.902 -3.223 6.878 1.00 0.00 C ATOM 278 CG LEU A 20 90.069 -3.933 5.518 1.00 0.00 C ATOM 279 CD1 LEU A 20 91.383 -3.496 4.827 1.00 0.00 C ATOM 280 CD2 LEU A 20 90.044 -5.468 5.733 1.00 0.00 C ATOM 0 H LEU A 20 89.844 -3.787 9.361 1.00 0.00 H new ATOM 0 HA LEU A 20 91.859 -4.053 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 20 89.041 -3.635 7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 20 89.701 -2.164 6.718 1.00 0.00 H new ATOM 0 HG LEU A 20 89.243 -3.651 4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 20 91.479 -4.009 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 20 91.366 -2.419 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 20 92.231 -3.752 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 20 90.162 -5.972 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 20 90.860 -5.756 6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 20 89.093 -5.757 6.180 1.00 0.00 H new ATOM 292 N SER A 21 92.959 -1.805 7.381 1.00 0.00 N ATOM 293 CA SER A 21 93.649 -0.510 7.596 1.00 0.00 C ATOM 294 C SER A 21 92.962 0.567 6.775 1.00 0.00 C ATOM 295 O SER A 21 92.487 0.321 5.684 1.00 0.00 O ATOM 296 CB SER A 21 95.109 -0.628 7.157 1.00 0.00 C ATOM 297 OG SER A 21 95.900 0.283 7.908 1.00 0.00 O ATOM 0 H SER A 21 93.428 -2.452 6.747 1.00 0.00 H new ATOM 0 HA SER A 21 93.609 -0.248 8.653 1.00 0.00 H new ATOM 0 HB2 SER A 21 95.465 -1.647 7.308 1.00 0.00 H new ATOM 0 HB3 SER A 21 95.199 -0.414 6.092 1.00 0.00 H new ATOM 0 HG SER A 21 96.837 0.209 7.630 1.00 0.00 H new ATOM 303 N VAL A 22 92.919 1.765 7.287 1.00 0.00 N ATOM 304 CA VAL A 22 92.277 2.877 6.531 1.00 0.00 C ATOM 305 C VAL A 22 93.106 4.145 6.671 1.00 0.00 C ATOM 306 O VAL A 22 93.210 4.729 7.730 1.00 0.00 O ATOM 307 CB VAL A 22 90.847 3.119 7.036 1.00 0.00 C ATOM 308 CG1 VAL A 22 90.329 4.468 6.522 1.00 0.00 C ATOM 309 CG2 VAL A 22 89.944 2.017 6.494 1.00 0.00 C ATOM 0 H VAL A 22 93.301 2.023 8.197 1.00 0.00 H new ATOM 0 HA VAL A 22 92.226 2.599 5.478 1.00 0.00 H new ATOM 0 HB VAL A 22 90.846 3.120 8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 22 89.314 4.630 6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 22 90.976 5.268 6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 22 90.328 4.466 5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 22 88.924 2.176 6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 22 89.960 2.037 5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 22 90.301 1.049 6.845 1.00 0.00 H new ATOM 319 N HIS A 23 93.670 4.580 5.588 1.00 0.00 N ATOM 320 CA HIS A 23 94.476 5.820 5.599 1.00 0.00 C ATOM 321 C HIS A 23 93.528 6.997 5.399 1.00 0.00 C ATOM 322 O HIS A 23 93.077 7.257 4.302 1.00 0.00 O ATOM 323 CB HIS A 23 95.467 5.748 4.437 1.00 0.00 C ATOM 324 CG HIS A 23 96.667 4.931 4.837 1.00 0.00 C ATOM 325 ND1 HIS A 23 97.963 5.332 4.556 1.00 0.00 N ATOM 326 CD2 HIS A 23 96.780 3.732 5.496 1.00 0.00 C ATOM 327 CE1 HIS A 23 98.793 4.389 5.040 1.00 0.00 C ATOM 328 NE2 HIS A 23 98.123 3.391 5.623 1.00 0.00 N ATOM 0 H HIS A 23 93.605 4.120 4.680 1.00 0.00 H new ATOM 0 HA HIS A 23 95.018 5.938 6.537 1.00 0.00 H new ATOM 0 HB2 HIS A 23 94.987 5.303 3.565 1.00 0.00 H new ATOM 0 HB3 HIS A 23 95.779 6.752 4.151 1.00 0.00 H new ATOM 0 HD2 HIS A 23 95.952 3.143 5.861 1.00 0.00 H new ATOM 0 HE1 HIS A 23 99.870 4.434 4.966 1.00 0.00 H new ATOM 0 HE2 HIS A 23 98.512 2.559 6.066 1.00 0.00 H new ATOM 336 N VAL A 24 93.219 7.718 6.440 1.00 0.00 N ATOM 337 CA VAL A 24 92.302 8.869 6.266 1.00 0.00 C ATOM 338 C VAL A 24 93.075 9.963 5.532 1.00 0.00 C ATOM 339 O VAL A 24 93.864 10.672 6.112 1.00 0.00 O ATOM 340 CB VAL A 24 91.813 9.352 7.646 1.00 0.00 C ATOM 341 CG1 VAL A 24 90.428 9.991 7.517 1.00 0.00 C ATOM 342 CG2 VAL A 24 91.712 8.151 8.592 1.00 0.00 C ATOM 0 H VAL A 24 93.558 7.561 7.389 1.00 0.00 H new ATOM 0 HA VAL A 24 91.421 8.593 5.686 1.00 0.00 H new ATOM 0 HB VAL A 24 92.518 10.086 8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 24 90.091 10.329 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 24 90.482 10.842 6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 24 89.724 9.257 7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 24 91.367 8.486 9.570 1.00 0.00 H new ATOM 0 HG22 VAL A 24 91.006 7.427 8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 24 92.692 7.684 8.694 1.00 0.00 H new ATOM 352 N THR A 25 92.877 10.071 4.246 1.00 0.00 N ATOM 353 CA THR A 25 93.621 11.087 3.451 1.00 0.00 C ATOM 354 C THR A 25 93.067 12.484 3.739 1.00 0.00 C ATOM 355 O THR A 25 93.805 13.445 3.831 1.00 0.00 O ATOM 356 CB THR A 25 93.475 10.766 1.962 1.00 0.00 C ATOM 357 OG1 THR A 25 92.109 10.853 1.595 1.00 0.00 O ATOM 358 CG2 THR A 25 93.993 9.350 1.681 1.00 0.00 C ATOM 0 H THR A 25 92.228 9.495 3.710 1.00 0.00 H new ATOM 0 HA THR A 25 94.675 11.064 3.727 1.00 0.00 H new ATOM 0 HB THR A 25 94.057 11.481 1.380 1.00 0.00 H new ATOM 0 HG1 THR A 25 91.636 10.052 1.903 1.00 0.00 H new ATOM 0 HG21 THR A 25 93.886 9.128 0.619 1.00 0.00 H new ATOM 0 HG22 THR A 25 95.044 9.285 1.962 1.00 0.00 H new ATOM 0 HG23 THR A 25 93.417 8.630 2.262 1.00 0.00 H new ATOM 366 N ASP A 26 91.778 12.608 3.895 1.00 0.00 N ATOM 367 CA ASP A 26 91.193 13.947 4.191 1.00 0.00 C ATOM 368 C ASP A 26 91.521 14.314 5.638 1.00 0.00 C ATOM 369 O ASP A 26 90.900 15.172 6.233 1.00 0.00 O ATOM 370 CB ASP A 26 89.676 13.894 4.011 1.00 0.00 C ATOM 371 CG ASP A 26 89.090 15.294 4.197 1.00 0.00 C ATOM 372 OD1 ASP A 26 89.651 16.227 3.648 1.00 0.00 O ATOM 373 OD2 ASP A 26 88.090 15.409 4.886 1.00 0.00 O ATOM 0 H ASP A 26 91.106 11.843 3.831 1.00 0.00 H new ATOM 0 HA ASP A 26 91.608 14.692 3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 26 89.430 13.514 3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 26 89.237 13.206 4.734 1.00 0.00 H new ATOM 378 N LEU A 27 92.493 13.655 6.207 1.00 0.00 N ATOM 379 CA LEU A 27 92.878 13.934 7.619 1.00 0.00 C ATOM 380 C LEU A 27 94.364 13.601 7.804 1.00 0.00 C ATOM 381 O LEU A 27 95.040 14.201 8.612 1.00 0.00 O ATOM 382 CB LEU A 27 92.018 13.046 8.544 1.00 0.00 C ATOM 383 CG LEU A 27 90.893 13.867 9.199 1.00 0.00 C ATOM 384 CD1 LEU A 27 89.792 12.923 9.693 1.00 0.00 C ATOM 385 CD2 LEU A 27 91.451 14.657 10.387 1.00 0.00 C ATOM 0 H LEU A 27 93.042 12.928 5.749 1.00 0.00 H new ATOM 0 HA LEU A 27 92.714 14.984 7.863 1.00 0.00 H new ATOM 0 HB2 LEU A 27 91.588 12.225 7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 27 92.646 12.601 9.316 1.00 0.00 H new ATOM 0 HG LEU A 27 90.482 14.559 8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 27 88.995 13.504 10.157 1.00 0.00 H new ATOM 0 HD12 LEU A 27 89.388 12.362 8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 27 90.208 12.230 10.424 1.00 0.00 H new ATOM 0 HD21 LEU A 27 90.650 15.236 10.847 1.00 0.00 H new ATOM 0 HD22 LEU A 27 91.866 13.966 11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 27 92.234 15.332 10.040 1.00 0.00 H new ATOM 397 N ASN A 28 94.854 12.641 7.057 1.00 0.00 N ATOM 398 CA ASN A 28 96.289 12.219 7.147 1.00 0.00 C ATOM 399 C ASN A 28 96.475 11.205 8.275 1.00 0.00 C ATOM 400 O ASN A 28 97.586 10.923 8.677 1.00 0.00 O ATOM 401 CB ASN A 28 97.207 13.428 7.398 1.00 0.00 C ATOM 402 CG ASN A 28 98.625 13.087 6.951 1.00 0.00 C ATOM 403 OD1 ASN A 28 99.422 13.960 6.671 1.00 0.00 O ATOM 404 ND2 ASN A 28 98.965 11.836 6.874 1.00 0.00 N ATOM 0 H ASN A 28 94.306 12.120 6.372 1.00 0.00 H new ATOM 0 HA ASN A 28 96.560 11.762 6.195 1.00 0.00 H new ATOM 0 HB2 ASN A 28 96.840 14.297 6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 28 97.200 13.691 8.456 1.00 0.00 H new ATOM 0 HD21 ASN A 28 99.907 11.581 6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 28 98.290 11.109 7.111 1.00 0.00 H new ATOM 411 N ARG A 29 95.409 10.650 8.796 1.00 0.00 N ATOM 412 CA ARG A 29 95.547 9.663 9.893 1.00 0.00 C ATOM 413 C ARG A 29 95.467 8.254 9.335 1.00 0.00 C ATOM 414 O ARG A 29 95.316 8.035 8.150 1.00 0.00 O ATOM 415 CB ARG A 29 94.413 9.836 10.887 1.00 0.00 C ATOM 416 CG ARG A 29 94.450 11.249 11.456 1.00 0.00 C ATOM 417 CD ARG A 29 93.228 11.465 12.345 1.00 0.00 C ATOM 418 NE ARG A 29 93.447 10.808 13.664 1.00 0.00 N ATOM 419 CZ ARG A 29 92.525 10.873 14.585 1.00 0.00 C ATOM 420 NH1 ARG A 29 92.717 10.302 15.742 1.00 0.00 N ATOM 421 NH2 ARG A 29 91.412 11.511 14.348 1.00 0.00 N ATOM 0 H ARG A 29 94.451 10.843 8.504 1.00 0.00 H new ATOM 0 HA ARG A 29 96.509 9.823 10.381 1.00 0.00 H new ATOM 0 HB2 ARG A 29 93.456 9.654 10.399 1.00 0.00 H new ATOM 0 HB3 ARG A 29 94.505 9.106 11.691 1.00 0.00 H new ATOM 0 HG2 ARG A 29 95.364 11.398 12.031 1.00 0.00 H new ATOM 0 HG3 ARG A 29 94.460 11.979 10.647 1.00 0.00 H new ATOM 0 HD2 ARG A 29 93.051 12.531 12.484 1.00 0.00 H new ATOM 0 HD3 ARG A 29 92.340 11.054 11.866 1.00 0.00 H new ATOM 0 HE ARG A 29 94.317 10.308 13.847 1.00 0.00 H new ATOM 0 HH11 ARG A 29 93.588 9.805 15.927 1.00 0.00 H new ATOM 0 HH12 ARG A 29 91.996 10.353 16.462 1.00 0.00 H new ATOM 0 HH21 ARG A 29 91.263 11.958 13.443 1.00 0.00 H new ATOM 0 HH22 ARG A 29 90.691 11.562 15.067 1.00 0.00 H new ATOM 435 N ASP A 30 95.539 7.303 10.208 1.00 0.00 N ATOM 436 CA ASP A 30 95.440 5.877 9.807 1.00 0.00 C ATOM 437 C ASP A 30 94.583 5.168 10.839 1.00 0.00 C ATOM 438 O ASP A 30 94.918 5.116 12.006 1.00 0.00 O ATOM 439 CB ASP A 30 96.824 5.234 9.768 1.00 0.00 C ATOM 440 CG ASP A 30 97.588 5.729 8.539 1.00 0.00 C ATOM 441 OD1 ASP A 30 97.130 5.472 7.438 1.00 0.00 O ATOM 442 OD2 ASP A 30 98.620 6.355 8.719 1.00 0.00 O ATOM 0 H ASP A 30 95.665 7.454 11.209 1.00 0.00 H new ATOM 0 HA ASP A 30 95.001 5.800 8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.376 5.481 10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.731 4.148 9.737 1.00 0.00 H new ATOM 447 N VAL A 31 93.465 4.643 10.421 1.00 0.00 N ATOM 448 CA VAL A 31 92.547 3.952 11.374 1.00 0.00 C ATOM 449 C VAL A 31 92.396 2.487 10.986 1.00 0.00 C ATOM 450 O VAL A 31 92.606 2.103 9.852 1.00 0.00 O ATOM 451 CB VAL A 31 91.182 4.630 11.322 1.00 0.00 C ATOM 452 CG1 VAL A 31 90.303 4.073 12.440 1.00 0.00 C ATOM 453 CG2 VAL A 31 91.355 6.145 11.505 1.00 0.00 C ATOM 0 H VAL A 31 93.144 4.662 9.453 1.00 0.00 H new ATOM 0 HA VAL A 31 92.959 4.011 12.381 1.00 0.00 H new ATOM 0 HB VAL A 31 90.711 4.437 10.358 1.00 0.00 H new ATOM 0 HG11 VAL A 31 89.325 4.554 12.408 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.183 2.998 12.307 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.773 4.269 13.404 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.379 6.630 11.468 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.823 6.344 12.469 1.00 0.00 H new ATOM 0 HG23 VAL A 31 91.986 6.538 10.708 1.00 0.00 H new ATOM 463 N THR A 32 92.023 1.670 11.933 1.00 0.00 N ATOM 464 CA THR A 32 91.836 0.213 11.666 1.00 0.00 C ATOM 465 C THR A 32 90.508 -0.225 12.297 1.00 0.00 C ATOM 466 O THR A 32 90.195 0.134 13.414 1.00 0.00 O ATOM 467 CB THR A 32 93.015 -0.571 12.296 1.00 0.00 C ATOM 468 OG1 THR A 32 93.844 0.338 13.005 1.00 0.00 O ATOM 469 CG2 THR A 32 93.855 -1.271 11.218 1.00 0.00 C ATOM 0 H THR A 32 91.837 1.954 12.895 1.00 0.00 H new ATOM 0 HA THR A 32 91.814 0.015 10.594 1.00 0.00 H new ATOM 0 HB THR A 32 92.608 -1.329 12.965 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.592 -0.149 13.409 1.00 0.00 H new ATOM 0 HG21 THR A 32 94.675 -1.813 11.690 1.00 0.00 H new ATOM 0 HG22 THR A 32 93.228 -1.971 10.666 1.00 0.00 H new ATOM 0 HG23 THR A 32 94.260 -0.527 10.532 1.00 0.00 H new ATOM 477 N LEU A 33 89.727 -0.990 11.580 1.00 0.00 N ATOM 478 CA LEU A 33 88.410 -1.455 12.106 1.00 0.00 C ATOM 479 C LEU A 33 88.425 -2.978 12.233 1.00 0.00 C ATOM 480 O LEU A 33 88.437 -3.686 11.253 1.00 0.00 O ATOM 481 CB LEU A 33 87.321 -1.038 11.100 1.00 0.00 C ATOM 482 CG LEU A 33 86.755 0.362 11.410 1.00 0.00 C ATOM 483 CD1 LEU A 33 85.747 0.285 12.556 1.00 0.00 C ATOM 484 CD2 LEU A 33 87.877 1.341 11.783 1.00 0.00 C ATOM 0 H LEU A 33 89.949 -1.316 10.640 1.00 0.00 H new ATOM 0 HA LEU A 33 88.214 -1.016 13.084 1.00 0.00 H new ATOM 0 HB2 LEU A 33 87.736 -1.046 10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 33 86.512 -1.768 11.118 1.00 0.00 H new ATOM 0 HG LEU A 33 86.257 0.726 10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 33 85.356 1.281 12.764 1.00 0.00 H new ATOM 0 HD12 LEU A 33 84.927 -0.376 12.275 1.00 0.00 H new ATOM 0 HD13 LEU A 33 86.239 -0.105 13.447 1.00 0.00 H new ATOM 0 HD21 LEU A 33 87.449 2.320 11.997 1.00 0.00 H new ATOM 0 HD22 LEU A 33 88.402 0.974 12.665 1.00 0.00 H new ATOM 0 HD23 LEU A 33 88.578 1.425 10.952 1.00 0.00 H new ATOM 496 N ARG A 34 88.388 -3.475 13.437 1.00 0.00 N ATOM 497 CA ARG A 34 88.378 -4.945 13.647 1.00 0.00 C ATOM 498 C ARG A 34 87.137 -5.514 12.977 1.00 0.00 C ATOM 499 O ARG A 34 86.034 -5.376 13.467 1.00 0.00 O ATOM 500 CB ARG A 34 88.329 -5.247 15.146 1.00 0.00 C ATOM 501 CG ARG A 34 88.524 -6.752 15.375 1.00 0.00 C ATOM 502 CD ARG A 34 89.967 -7.168 15.049 1.00 0.00 C ATOM 503 NE ARG A 34 90.332 -8.358 15.870 1.00 0.00 N ATOM 504 CZ ARG A 34 91.588 -8.662 16.061 1.00 0.00 C ATOM 505 NH1 ARG A 34 91.904 -9.707 16.775 1.00 0.00 N ATOM 506 NH2 ARG A 34 92.526 -7.920 15.539 1.00 0.00 N ATOM 0 H ARG A 34 88.364 -2.918 14.291 1.00 0.00 H new ATOM 0 HA ARG A 34 89.277 -5.392 13.222 1.00 0.00 H new ATOM 0 HB2 ARG A 34 89.106 -4.686 15.666 1.00 0.00 H new ATOM 0 HB3 ARG A 34 87.373 -4.927 15.561 1.00 0.00 H new ATOM 0 HG2 ARG A 34 88.294 -7.000 16.411 1.00 0.00 H new ATOM 0 HG3 ARG A 34 87.829 -7.313 14.751 1.00 0.00 H new ATOM 0 HD2 ARG A 34 90.060 -7.401 13.988 1.00 0.00 H new ATOM 0 HD3 ARG A 34 90.651 -6.345 15.256 1.00 0.00 H new ATOM 0 HE ARG A 34 89.600 -8.936 16.283 1.00 0.00 H new ATOM 0 HH11 ARG A 34 91.171 -10.286 17.184 1.00 0.00 H new ATOM 0 HH12 ARG A 34 92.885 -9.945 16.925 1.00 0.00 H new ATOM 0 HH21 ARG A 34 92.279 -7.102 14.982 1.00 0.00 H new ATOM 0 HH22 ARG A 34 93.507 -8.158 15.688 1.00 0.00 H new ATOM 520 N VAL A 35 87.311 -6.133 11.841 1.00 0.00 N ATOM 521 CA VAL A 35 86.149 -6.699 11.100 1.00 0.00 C ATOM 522 C VAL A 35 86.480 -8.088 10.580 1.00 0.00 C ATOM 523 O VAL A 35 87.495 -8.671 10.904 1.00 0.00 O ATOM 524 CB VAL A 35 85.831 -5.806 9.904 1.00 0.00 C ATOM 525 CG1 VAL A 35 85.322 -4.454 10.397 1.00 0.00 C ATOM 526 CG2 VAL A 35 87.089 -5.599 9.054 1.00 0.00 C ATOM 0 H VAL A 35 88.216 -6.272 11.391 1.00 0.00 H new ATOM 0 HA VAL A 35 85.297 -6.754 11.778 1.00 0.00 H new ATOM 0 HB VAL A 35 85.064 -6.286 9.296 1.00 0.00 H new ATOM 0 HG11 VAL A 35 85.095 -3.817 9.542 1.00 0.00 H new ATOM 0 HG12 VAL A 35 84.420 -4.599 10.991 1.00 0.00 H new ATOM 0 HG13 VAL A 35 86.087 -3.979 11.011 1.00 0.00 H new ATOM 0 HG21 VAL A 35 86.852 -4.961 8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 35 87.863 -5.126 9.658 1.00 0.00 H new ATOM 0 HG23 VAL A 35 87.448 -6.563 8.695 1.00 0.00 H new ATOM 536 N THR A 36 85.617 -8.611 9.757 1.00 0.00 N ATOM 537 CA THR A 36 85.831 -9.955 9.171 1.00 0.00 C ATOM 538 C THR A 36 85.319 -9.921 7.734 1.00 0.00 C ATOM 539 O THR A 36 84.778 -8.932 7.284 1.00 0.00 O ATOM 540 CB THR A 36 85.042 -10.992 9.973 1.00 0.00 C ATOM 541 OG1 THR A 36 83.759 -10.470 10.285 1.00 0.00 O ATOM 542 CG2 THR A 36 85.778 -11.321 11.265 1.00 0.00 C ATOM 0 H THR A 36 84.756 -8.151 9.462 1.00 0.00 H new ATOM 0 HA THR A 36 86.888 -10.222 9.194 1.00 0.00 H new ATOM 0 HB THR A 36 84.938 -11.899 9.378 1.00 0.00 H new ATOM 0 HG1 THR A 36 83.379 -10.966 11.040 1.00 0.00 H new ATOM 0 HG21 THR A 36 85.209 -12.060 11.830 1.00 0.00 H new ATOM 0 HG22 THR A 36 86.763 -11.724 11.030 1.00 0.00 H new ATOM 0 HG23 THR A 36 85.889 -10.415 11.861 1.00 0.00 H new ATOM 550 N GLY A 37 85.479 -10.984 7.010 1.00 0.00 N ATOM 551 CA GLY A 37 84.996 -11.004 5.609 1.00 0.00 C ATOM 552 C GLY A 37 83.493 -11.255 5.602 1.00 0.00 C ATOM 553 O GLY A 37 82.979 -12.052 4.843 1.00 0.00 O ATOM 0 H GLY A 37 85.925 -11.844 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 37 85.221 -10.056 5.120 1.00 0.00 H new ATOM 0 HA3 GLY A 37 85.510 -11.783 5.045 1.00 0.00 H new ATOM 557 N GLU A 38 82.779 -10.567 6.445 1.00 0.00 N ATOM 558 CA GLU A 38 81.303 -10.737 6.492 1.00 0.00 C ATOM 559 C GLU A 38 80.667 -9.386 6.809 1.00 0.00 C ATOM 560 O GLU A 38 79.460 -9.267 6.896 1.00 0.00 O ATOM 561 CB GLU A 38 80.924 -11.742 7.580 1.00 0.00 C ATOM 562 CG GLU A 38 81.712 -11.433 8.856 1.00 0.00 C ATOM 563 CD GLU A 38 80.994 -12.028 10.071 1.00 0.00 C ATOM 564 OE1 GLU A 38 79.878 -11.613 10.337 1.00 0.00 O ATOM 565 OE2 GLU A 38 81.573 -12.888 10.714 1.00 0.00 O ATOM 0 H GLU A 38 83.157 -9.890 7.108 1.00 0.00 H new ATOM 0 HA GLU A 38 80.947 -11.107 5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 38 79.854 -11.692 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.138 -12.756 7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.719 -11.844 8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.817 -10.355 8.977 1.00 0.00 H new ATOM 572 N VAL A 39 81.463 -8.355 6.982 1.00 0.00 N ATOM 573 CA VAL A 39 80.884 -7.022 7.289 1.00 0.00 C ATOM 574 C VAL A 39 80.561 -6.287 5.991 1.00 0.00 C ATOM 575 O VAL A 39 81.354 -6.240 5.078 1.00 0.00 O ATOM 576 CB VAL A 39 81.868 -6.212 8.143 1.00 0.00 C ATOM 577 CG1 VAL A 39 82.528 -7.156 9.149 1.00 0.00 C ATOM 578 CG2 VAL A 39 82.943 -5.541 7.263 1.00 0.00 C ATOM 0 H VAL A 39 82.481 -8.386 6.923 1.00 0.00 H new ATOM 0 HA VAL A 39 79.960 -7.148 7.853 1.00 0.00 H new ATOM 0 HB VAL A 39 81.327 -5.423 8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 39 83.232 -6.597 9.765 1.00 0.00 H new ATOM 0 HG12 VAL A 39 81.763 -7.602 9.785 1.00 0.00 H new ATOM 0 HG13 VAL A 39 83.060 -7.943 8.615 1.00 0.00 H new ATOM 0 HG21 VAL A 39 83.627 -4.973 7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 39 83.499 -6.306 6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 39 82.463 -4.869 6.552 1.00 0.00 H new ATOM 588 N HIS A 40 79.409 -5.705 5.906 1.00 0.00 N ATOM 589 CA HIS A 40 79.052 -4.969 4.665 1.00 0.00 C ATOM 590 C HIS A 40 79.917 -3.708 4.572 1.00 0.00 C ATOM 591 O HIS A 40 80.158 -3.040 5.558 1.00 0.00 O ATOM 592 CB HIS A 40 77.563 -4.595 4.695 1.00 0.00 C ATOM 593 CG HIS A 40 76.790 -5.671 5.408 1.00 0.00 C ATOM 594 ND1 HIS A 40 76.739 -6.976 4.943 1.00 0.00 N ATOM 595 CD2 HIS A 40 76.032 -5.651 6.552 1.00 0.00 C ATOM 596 CE1 HIS A 40 75.975 -7.681 5.796 1.00 0.00 C ATOM 597 NE2 HIS A 40 75.518 -6.922 6.796 1.00 0.00 N ATOM 0 H HIS A 40 78.697 -5.704 6.637 1.00 0.00 H new ATOM 0 HA HIS A 40 79.233 -5.597 3.793 1.00 0.00 H new ATOM 0 HB2 HIS A 40 77.427 -3.639 5.201 1.00 0.00 H new ATOM 0 HB3 HIS A 40 77.187 -4.474 3.679 1.00 0.00 H new ATOM 0 HD2 HIS A 40 75.860 -4.782 7.169 1.00 0.00 H new ATOM 0 HE1 HIS A 40 75.757 -8.733 5.686 1.00 0.00 H new ATOM 0 HE2 HIS A 40 74.921 -7.211 7.571 1.00 0.00 H new ATOM 605 N ILE A 41 80.392 -3.379 3.400 1.00 0.00 N ATOM 606 CA ILE A 41 81.245 -2.160 3.257 1.00 0.00 C ATOM 607 C ILE A 41 80.582 -0.994 3.977 1.00 0.00 C ATOM 608 O ILE A 41 81.143 -0.395 4.871 1.00 0.00 O ATOM 609 CB ILE A 41 81.383 -1.788 1.782 1.00 0.00 C ATOM 610 CG1 ILE A 41 81.752 -3.029 0.966 1.00 0.00 C ATOM 611 CG2 ILE A 41 82.464 -0.714 1.613 1.00 0.00 C ATOM 612 CD1 ILE A 41 82.009 -2.641 -0.496 1.00 0.00 C ATOM 0 H ILE A 41 80.228 -3.899 2.538 1.00 0.00 H new ATOM 0 HA ILE A 41 82.227 -2.368 3.683 1.00 0.00 H new ATOM 0 HB ILE A 41 80.432 -1.395 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 41 82.640 -3.500 1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 41 80.947 -3.762 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 41 82.557 -0.454 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 41 82.188 0.173 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 41 83.417 -1.097 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 41 82.271 -3.531 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 41 81.110 -2.191 -0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 41 82.829 -1.925 -0.544 1.00 0.00 H new ATOM 624 N GLY A 42 79.388 -0.669 3.583 1.00 0.00 N ATOM 625 CA GLY A 42 78.677 0.453 4.230 1.00 0.00 C ATOM 626 C GLY A 42 78.622 0.182 5.725 1.00 0.00 C ATOM 627 O GLY A 42 78.326 1.050 6.526 1.00 0.00 O ATOM 0 H GLY A 42 78.874 -1.137 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.192 1.393 4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 42 77.670 0.550 3.824 1.00 0.00 H new ATOM 631 N GLY A 43 78.932 -1.023 6.102 1.00 0.00 N ATOM 632 CA GLY A 43 78.929 -1.378 7.546 1.00 0.00 C ATOM 633 C GLY A 43 80.154 -0.742 8.197 1.00 0.00 C ATOM 634 O GLY A 43 80.182 -0.465 9.379 1.00 0.00 O ATOM 0 H GLY A 43 79.189 -1.781 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 43 78.017 -1.021 8.023 1.00 0.00 H new ATOM 0 HA3 GLY A 43 78.951 -2.461 7.671 1.00 0.00 H new ATOM 638 N VAL A 44 81.162 -0.495 7.409 1.00 0.00 N ATOM 639 CA VAL A 44 82.402 0.141 7.926 1.00 0.00 C ATOM 640 C VAL A 44 82.182 1.658 7.945 1.00 0.00 C ATOM 641 O VAL A 44 82.591 2.341 8.862 1.00 0.00 O ATOM 642 CB VAL A 44 83.575 -0.237 7.002 1.00 0.00 C ATOM 643 CG1 VAL A 44 84.729 0.762 7.156 1.00 0.00 C ATOM 644 CG2 VAL A 44 84.076 -1.639 7.364 1.00 0.00 C ATOM 0 H VAL A 44 81.178 -0.711 6.412 1.00 0.00 H new ATOM 0 HA VAL A 44 82.635 -0.200 8.935 1.00 0.00 H new ATOM 0 HB VAL A 44 83.225 -0.217 5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 44 85.547 0.477 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 44 84.382 1.762 6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 44 85.078 0.758 8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 44 84.906 -1.909 6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 44 84.412 -1.649 8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 44 83.267 -2.358 7.238 1.00 0.00 H new ATOM 654 N MET A 45 81.512 2.187 6.948 1.00 0.00 N ATOM 655 CA MET A 45 81.241 3.656 6.927 1.00 0.00 C ATOM 656 C MET A 45 80.693 4.055 8.296 1.00 0.00 C ATOM 657 O MET A 45 80.971 5.118 8.809 1.00 0.00 O ATOM 658 CB MET A 45 80.168 3.978 5.867 1.00 0.00 C ATOM 659 CG MET A 45 80.767 4.039 4.449 1.00 0.00 C ATOM 660 SD MET A 45 79.759 5.149 3.420 1.00 0.00 S ATOM 661 CE MET A 45 78.351 4.044 3.118 1.00 0.00 C ATOM 0 H MET A 45 81.144 1.666 6.152 1.00 0.00 H new ATOM 0 HA MET A 45 82.159 4.196 6.693 1.00 0.00 H new ATOM 0 HB2 MET A 45 79.386 3.220 5.899 1.00 0.00 H new ATOM 0 HB3 MET A 45 79.697 4.932 6.104 1.00 0.00 H new ATOM 0 HG2 MET A 45 81.796 4.397 4.491 1.00 0.00 H new ATOM 0 HG3 MET A 45 80.794 3.042 4.010 1.00 0.00 H new ATOM 0 HE1 MET A 45 77.470 4.636 2.870 1.00 0.00 H new ATOM 0 HE2 MET A 45 78.584 3.376 2.289 1.00 0.00 H new ATOM 0 HE3 MET A 45 78.152 3.456 4.014 1.00 0.00 H new ATOM 671 N LEU A 46 79.894 3.203 8.874 1.00 0.00 N ATOM 672 CA LEU A 46 79.292 3.516 10.202 1.00 0.00 C ATOM 673 C LEU A 46 80.345 3.402 11.320 1.00 0.00 C ATOM 674 O LEU A 46 80.622 4.352 12.023 1.00 0.00 O ATOM 675 CB LEU A 46 78.139 2.525 10.472 1.00 0.00 C ATOM 676 CG LEU A 46 77.035 3.204 11.317 1.00 0.00 C ATOM 677 CD1 LEU A 46 76.067 3.959 10.399 1.00 0.00 C ATOM 678 CD2 LEU A 46 76.259 2.143 12.107 1.00 0.00 C ATOM 0 H LEU A 46 79.630 2.299 8.483 1.00 0.00 H new ATOM 0 HA LEU A 46 78.916 4.539 10.191 1.00 0.00 H new ATOM 0 HB2 LEU A 46 77.721 2.177 9.528 1.00 0.00 H new ATOM 0 HB3 LEU A 46 78.519 1.648 10.995 1.00 0.00 H new ATOM 0 HG LEU A 46 77.501 3.905 12.009 1.00 0.00 H new ATOM 0 HD11 LEU A 46 75.292 4.435 11.000 1.00 0.00 H new ATOM 0 HD12 LEU A 46 76.613 4.720 9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 46 75.607 3.259 9.701 1.00 0.00 H new ATOM 0 HD21 LEU A 46 75.483 2.626 12.700 1.00 0.00 H new ATOM 0 HD22 LEU A 46 75.800 1.437 11.415 1.00 0.00 H new ATOM 0 HD23 LEU A 46 76.942 1.610 12.768 1.00 0.00 H new ATOM 690 N LYS A 47 80.906 2.236 11.505 1.00 0.00 N ATOM 691 CA LYS A 47 81.910 2.047 12.599 1.00 0.00 C ATOM 692 C LYS A 47 83.032 3.087 12.497 1.00 0.00 C ATOM 693 O LYS A 47 83.248 3.873 13.398 1.00 0.00 O ATOM 694 CB LYS A 47 82.540 0.655 12.486 1.00 0.00 C ATOM 695 CG LYS A 47 81.460 -0.426 12.384 1.00 0.00 C ATOM 696 CD LYS A 47 82.119 -1.745 11.965 1.00 0.00 C ATOM 697 CE LYS A 47 81.086 -2.872 11.981 1.00 0.00 C ATOM 698 NZ LYS A 47 80.719 -3.191 13.390 1.00 0.00 N ATOM 0 H LYS A 47 80.714 1.404 10.947 1.00 0.00 H new ATOM 0 HA LYS A 47 81.393 2.161 13.552 1.00 0.00 H new ATOM 0 HB2 LYS A 47 83.186 0.614 11.609 1.00 0.00 H new ATOM 0 HB3 LYS A 47 83.170 0.465 13.355 1.00 0.00 H new ATOM 0 HG2 LYS A 47 80.953 -0.545 13.342 1.00 0.00 H new ATOM 0 HG3 LYS A 47 80.702 -0.135 11.657 1.00 0.00 H new ATOM 0 HD2 LYS A 47 82.547 -1.647 10.967 1.00 0.00 H new ATOM 0 HD3 LYS A 47 82.940 -1.983 12.642 1.00 0.00 H new ATOM 0 HE2 LYS A 47 80.199 -2.575 11.422 1.00 0.00 H new ATOM 0 HE3 LYS A 47 81.490 -3.757 11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.270 -4.128 13.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 81.576 -3.193 13.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.055 -2.474 13.747 1.00 0.00 H new ATOM 712 N LEU A 48 83.756 3.084 11.414 1.00 0.00 N ATOM 713 CA LEU A 48 84.876 4.053 11.251 1.00 0.00 C ATOM 714 C LEU A 48 84.378 5.465 11.571 1.00 0.00 C ATOM 715 O LEU A 48 85.093 6.278 12.123 1.00 0.00 O ATOM 716 CB LEU A 48 85.377 3.956 9.801 1.00 0.00 C ATOM 717 CG LEU A 48 86.374 5.074 9.451 1.00 0.00 C ATOM 718 CD1 LEU A 48 87.659 4.930 10.259 1.00 0.00 C ATOM 719 CD2 LEU A 48 86.720 4.957 7.972 1.00 0.00 C ATOM 0 H LEU A 48 83.620 2.448 10.629 1.00 0.00 H new ATOM 0 HA LEU A 48 85.695 3.825 11.933 1.00 0.00 H new ATOM 0 HB2 LEU A 48 85.852 2.987 9.647 1.00 0.00 H new ATOM 0 HB3 LEU A 48 84.526 4.005 9.121 1.00 0.00 H new ATOM 0 HG LEU A 48 85.921 6.039 9.680 1.00 0.00 H new ATOM 0 HD11 LEU A 48 88.348 5.732 9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 48 87.428 4.987 11.323 1.00 0.00 H new ATOM 0 HD13 LEU A 48 88.121 3.968 10.039 1.00 0.00 H new ATOM 0 HD21 LEU A 48 87.427 5.741 7.701 1.00 0.00 H new ATOM 0 HD22 LEU A 48 87.168 3.982 7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 48 85.813 5.064 7.377 1.00 0.00 H new ATOM 731 N VAL A 49 83.154 5.756 11.238 1.00 0.00 N ATOM 732 CA VAL A 49 82.597 7.108 11.529 1.00 0.00 C ATOM 733 C VAL A 49 82.339 7.221 13.034 1.00 0.00 C ATOM 734 O VAL A 49 82.717 8.187 13.666 1.00 0.00 O ATOM 735 CB VAL A 49 81.283 7.274 10.745 1.00 0.00 C ATOM 736 CG1 VAL A 49 80.410 8.382 11.336 1.00 0.00 C ATOM 737 CG2 VAL A 49 81.600 7.616 9.286 1.00 0.00 C ATOM 0 H VAL A 49 82.511 5.114 10.775 1.00 0.00 H new ATOM 0 HA VAL A 49 83.296 7.889 11.229 1.00 0.00 H new ATOM 0 HB VAL A 49 80.735 6.334 10.808 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.491 8.470 10.756 1.00 0.00 H new ATOM 0 HG12 VAL A 49 80.165 8.139 12.370 1.00 0.00 H new ATOM 0 HG13 VAL A 49 80.951 9.328 11.304 1.00 0.00 H new ATOM 0 HG21 VAL A 49 80.670 7.734 8.730 1.00 0.00 H new ATOM 0 HG22 VAL A 49 82.168 8.546 9.245 1.00 0.00 H new ATOM 0 HG23 VAL A 49 82.188 6.812 8.843 1.00 0.00 H new ATOM 747 N GLU A 50 81.690 6.241 13.606 1.00 0.00 N ATOM 748 CA GLU A 50 81.396 6.284 15.067 1.00 0.00 C ATOM 749 C GLU A 50 82.645 6.736 15.828 1.00 0.00 C ATOM 750 O GLU A 50 82.568 7.462 16.799 1.00 0.00 O ATOM 751 CB GLU A 50 80.990 4.886 15.539 1.00 0.00 C ATOM 752 CG GLU A 50 79.562 4.577 15.077 1.00 0.00 C ATOM 753 CD GLU A 50 78.573 5.429 15.873 1.00 0.00 C ATOM 754 OE1 GLU A 50 78.454 5.205 17.066 1.00 0.00 O ATOM 755 OE2 GLU A 50 77.951 6.292 15.276 1.00 0.00 O ATOM 0 H GLU A 50 81.350 5.410 13.122 1.00 0.00 H new ATOM 0 HA GLU A 50 80.584 6.986 15.256 1.00 0.00 H new ATOM 0 HB2 GLU A 50 81.680 4.143 15.140 1.00 0.00 H new ATOM 0 HB3 GLU A 50 81.051 4.827 16.626 1.00 0.00 H new ATOM 0 HG2 GLU A 50 79.461 4.783 14.011 1.00 0.00 H new ATOM 0 HG3 GLU A 50 79.343 3.519 15.219 1.00 0.00 H new ATOM 762 N LYS A 51 83.794 6.308 15.389 1.00 0.00 N ATOM 763 CA LYS A 51 85.054 6.699 16.072 1.00 0.00 C ATOM 764 C LYS A 51 85.361 8.179 15.818 1.00 0.00 C ATOM 765 O LYS A 51 85.894 8.863 16.669 1.00 0.00 O ATOM 766 CB LYS A 51 86.187 5.838 15.524 1.00 0.00 C ATOM 767 CG LYS A 51 85.891 4.375 15.844 1.00 0.00 C ATOM 768 CD LYS A 51 86.840 3.471 15.075 1.00 0.00 C ATOM 769 CE LYS A 51 86.572 2.032 15.492 1.00 0.00 C ATOM 770 NZ LYS A 51 85.223 1.622 15.009 1.00 0.00 N ATOM 0 H LYS A 51 83.914 5.699 14.580 1.00 0.00 H new ATOM 0 HA LYS A 51 84.950 6.549 17.147 1.00 0.00 H new ATOM 0 HB2 LYS A 51 86.280 5.978 14.447 1.00 0.00 H new ATOM 0 HB3 LYS A 51 87.137 6.137 15.968 1.00 0.00 H new ATOM 0 HG2 LYS A 51 85.997 4.200 16.915 1.00 0.00 H new ATOM 0 HG3 LYS A 51 84.859 4.139 15.583 1.00 0.00 H new ATOM 0 HD2 LYS A 51 86.691 3.589 14.002 1.00 0.00 H new ATOM 0 HD3 LYS A 51 87.875 3.741 15.285 1.00 0.00 H new ATOM 0 HE2 LYS A 51 87.335 1.373 15.078 1.00 0.00 H new ATOM 0 HE3 LYS A 51 86.626 1.940 16.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 85.203 0.592 14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 84.506 1.889 15.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 85.017 2.098 14.108 1.00 0.00 H new ATOM 784 N LEU A 52 85.039 8.682 14.656 1.00 0.00 N ATOM 785 CA LEU A 52 85.318 10.101 14.354 1.00 0.00 C ATOM 786 C LEU A 52 84.537 10.985 15.335 1.00 0.00 C ATOM 787 O LEU A 52 85.111 11.710 16.119 1.00 0.00 O ATOM 788 CB LEU A 52 84.872 10.360 12.898 1.00 0.00 C ATOM 789 CG LEU A 52 85.921 11.168 12.113 1.00 0.00 C ATOM 790 CD1 LEU A 52 86.478 12.336 12.957 1.00 0.00 C ATOM 791 CD2 LEU A 52 87.065 10.240 11.668 1.00 0.00 C ATOM 0 H LEU A 52 84.591 8.160 13.902 1.00 0.00 H new ATOM 0 HA LEU A 52 86.378 10.334 14.460 1.00 0.00 H new ATOM 0 HB2 LEU A 52 84.697 9.408 12.397 1.00 0.00 H new ATOM 0 HB3 LEU A 52 83.924 10.899 12.899 1.00 0.00 H new ATOM 0 HG LEU A 52 85.437 11.594 11.234 1.00 0.00 H new ATOM 0 HD11 LEU A 52 87.216 12.887 12.374 1.00 0.00 H new ATOM 0 HD12 LEU A 52 85.663 13.005 13.235 1.00 0.00 H new ATOM 0 HD13 LEU A 52 86.948 11.942 13.858 1.00 0.00 H new ATOM 0 HD21 LEU A 52 87.805 10.816 11.113 1.00 0.00 H new ATOM 0 HD22 LEU A 52 87.535 9.795 12.545 1.00 0.00 H new ATOM 0 HD23 LEU A 52 86.666 9.451 11.030 1.00 0.00 H new ATOM 803 N ASP A 53 83.235 10.914 15.283 1.00 0.00 N ATOM 804 CA ASP A 53 82.380 11.721 16.194 1.00 0.00 C ATOM 805 C ASP A 53 82.473 13.191 15.823 1.00 0.00 C ATOM 806 O ASP A 53 83.169 13.967 16.446 1.00 0.00 O ATOM 807 CB ASP A 53 82.844 11.505 17.624 1.00 0.00 C ATOM 808 CG ASP A 53 81.706 11.810 18.604 1.00 0.00 C ATOM 809 OD1 ASP A 53 81.259 12.945 18.628 1.00 0.00 O ATOM 810 OD2 ASP A 53 81.301 10.903 19.313 1.00 0.00 O ATOM 0 H ASP A 53 82.720 10.319 14.634 1.00 0.00 H new ATOM 0 HA ASP A 53 81.340 11.408 16.100 1.00 0.00 H new ATOM 0 HB2 ASP A 53 83.179 10.476 17.753 1.00 0.00 H new ATOM 0 HB3 ASP A 53 83.699 12.147 17.837 1.00 0.00 H new ATOM 815 N VAL A 54 81.782 13.566 14.799 1.00 0.00 N ATOM 816 CA VAL A 54 81.827 14.979 14.353 1.00 0.00 C ATOM 817 C VAL A 54 80.778 15.229 13.266 1.00 0.00 C ATOM 818 O VAL A 54 80.473 14.367 12.467 1.00 0.00 O ATOM 819 CB VAL A 54 83.229 15.257 13.816 1.00 0.00 C ATOM 820 CG1 VAL A 54 83.604 14.171 12.808 1.00 0.00 C ATOM 821 CG2 VAL A 54 83.272 16.635 13.145 1.00 0.00 C ATOM 0 H VAL A 54 81.183 12.954 14.245 1.00 0.00 H new ATOM 0 HA VAL A 54 81.605 15.645 15.187 1.00 0.00 H new ATOM 0 HB VAL A 54 83.942 15.250 14.640 1.00 0.00 H new ATOM 0 HG11 VAL A 54 84.604 14.364 12.421 1.00 0.00 H new ATOM 0 HG12 VAL A 54 83.586 13.198 13.298 1.00 0.00 H new ATOM 0 HG13 VAL A 54 82.889 14.176 11.985 1.00 0.00 H new ATOM 0 HG21 VAL A 54 84.276 16.824 12.765 1.00 0.00 H new ATOM 0 HG22 VAL A 54 82.561 16.660 12.319 1.00 0.00 H new ATOM 0 HG23 VAL A 54 83.009 17.403 13.873 1.00 0.00 H new ATOM 831 N LYS A 55 80.234 16.415 13.229 1.00 0.00 N ATOM 832 CA LYS A 55 79.212 16.748 12.196 1.00 0.00 C ATOM 833 C LYS A 55 79.891 16.802 10.823 1.00 0.00 C ATOM 834 O LYS A 55 79.542 17.599 9.977 1.00 0.00 O ATOM 835 CB LYS A 55 78.601 18.111 12.532 1.00 0.00 C ATOM 836 CG LYS A 55 77.270 18.327 11.799 1.00 0.00 C ATOM 837 CD LYS A 55 76.224 17.241 12.154 1.00 0.00 C ATOM 838 CE LYS A 55 74.820 17.860 12.204 1.00 0.00 C ATOM 839 NZ LYS A 55 73.796 16.791 12.035 1.00 0.00 N ATOM 0 H LYS A 55 80.455 17.173 13.875 1.00 0.00 H new ATOM 0 HA LYS A 55 78.427 15.992 12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 55 78.441 18.184 13.608 1.00 0.00 H new ATOM 0 HB3 LYS A 55 79.300 18.901 12.259 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.872 19.309 12.054 1.00 0.00 H new ATOM 0 HG3 LYS A 55 77.445 18.323 10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 55 76.252 16.442 11.413 1.00 0.00 H new ATOM 0 HD3 LYS A 55 76.467 16.792 13.117 1.00 0.00 H new ATOM 0 HE2 LYS A 55 74.671 18.373 13.154 1.00 0.00 H new ATOM 0 HE3 LYS A 55 74.713 18.608 11.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 73.003 17.156 11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 74.222 15.976 11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 73.447 16.493 12.969 1.00 0.00 H new ATOM 853 N LYS A 56 80.863 15.958 10.596 1.00 0.00 N ATOM 854 CA LYS A 56 81.557 15.963 9.281 1.00 0.00 C ATOM 855 C LYS A 56 80.682 15.242 8.260 1.00 0.00 C ATOM 856 O LYS A 56 79.871 14.404 8.603 1.00 0.00 O ATOM 857 CB LYS A 56 82.901 15.239 9.407 1.00 0.00 C ATOM 858 CG LYS A 56 83.713 15.413 8.118 1.00 0.00 C ATOM 859 CD LYS A 56 85.059 14.674 8.235 1.00 0.00 C ATOM 860 CE LYS A 56 86.081 15.534 8.993 1.00 0.00 C ATOM 861 NZ LYS A 56 86.211 16.861 8.327 1.00 0.00 N ATOM 0 H LYS A 56 81.204 15.268 11.265 1.00 0.00 H new ATOM 0 HA LYS A 56 81.733 16.989 8.959 1.00 0.00 H new ATOM 0 HB2 LYS A 56 83.459 15.636 10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 56 82.736 14.179 9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 56 83.149 15.026 7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 56 83.886 16.472 7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 56 84.916 13.726 8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 56 85.439 14.439 7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.765 15.665 10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 56 87.048 15.031 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 87.205 17.166 8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.896 16.786 7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 85.623 17.559 8.826 1.00 0.00 H new ATOM 875 N ASP A 57 80.838 15.559 7.011 1.00 0.00 N ATOM 876 CA ASP A 57 80.016 14.893 5.971 1.00 0.00 C ATOM 877 C ASP A 57 80.432 13.429 5.880 1.00 0.00 C ATOM 878 O ASP A 57 81.407 13.079 5.245 1.00 0.00 O ATOM 879 CB ASP A 57 80.225 15.588 4.628 1.00 0.00 C ATOM 880 CG ASP A 57 81.696 15.976 4.472 1.00 0.00 C ATOM 881 OD1 ASP A 57 82.531 15.088 4.528 1.00 0.00 O ATOM 882 OD2 ASP A 57 81.962 17.153 4.298 1.00 0.00 O ATOM 0 H ASP A 57 81.501 16.252 6.664 1.00 0.00 H new ATOM 0 HA ASP A 57 78.960 14.954 6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 57 79.925 14.927 3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 57 79.596 16.476 4.565 1.00 0.00 H new ATOM 887 N TRP A 58 79.698 12.580 6.528 1.00 0.00 N ATOM 888 CA TRP A 58 80.028 11.134 6.514 1.00 0.00 C ATOM 889 C TRP A 58 79.519 10.489 5.216 1.00 0.00 C ATOM 890 O TRP A 58 80.211 9.716 4.586 1.00 0.00 O ATOM 891 CB TRP A 58 79.345 10.459 7.707 1.00 0.00 C ATOM 892 CG TRP A 58 79.807 11.028 9.028 1.00 0.00 C ATOM 893 CD1 TRP A 58 80.986 11.660 9.273 1.00 0.00 C ATOM 894 CD2 TRP A 58 79.095 11.007 10.302 1.00 0.00 C ATOM 895 NE1 TRP A 58 81.029 12.014 10.614 1.00 0.00 N ATOM 896 CE2 TRP A 58 79.886 11.637 11.283 1.00 0.00 C ATOM 897 CE3 TRP A 58 77.847 10.501 10.692 1.00 0.00 C ATOM 898 CZ2 TRP A 58 79.449 11.760 12.604 1.00 0.00 C ATOM 899 CZ3 TRP A 58 77.403 10.622 12.016 1.00 0.00 C ATOM 900 CH2 TRP A 58 78.203 11.253 12.971 1.00 0.00 C ATOM 0 H TRP A 58 78.873 12.828 7.074 1.00 0.00 H new ATOM 0 HA TRP A 58 81.109 11.010 6.575 1.00 0.00 H new ATOM 0 HB2 TRP A 58 78.265 10.578 7.620 1.00 0.00 H new ATOM 0 HB3 TRP A 58 79.550 9.389 7.683 1.00 0.00 H new ATOM 0 HD1 TRP A 58 81.760 11.854 8.545 1.00 0.00 H new ATOM 0 HE1 TRP A 58 81.814 12.496 11.052 1.00 0.00 H new ATOM 0 HE3 TRP A 58 77.219 10.011 9.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 80.074 12.246 13.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 76.439 10.226 12.299 1.00 0.00 H new ATOM 0 HH2 TRP A 58 77.858 11.348 13.990 1.00 0.00 H new ATOM 911 N SER A 59 78.313 10.785 4.821 1.00 0.00 N ATOM 912 CA SER A 59 77.762 10.166 3.575 1.00 0.00 C ATOM 913 C SER A 59 78.680 10.457 2.383 1.00 0.00 C ATOM 914 O SER A 59 79.147 9.556 1.715 1.00 0.00 O ATOM 915 CB SER A 59 76.367 10.736 3.294 1.00 0.00 C ATOM 916 OG SER A 59 75.593 9.763 2.602 1.00 0.00 O ATOM 0 H SER A 59 77.683 11.427 5.303 1.00 0.00 H new ATOM 0 HA SER A 59 77.699 9.087 3.717 1.00 0.00 H new ATOM 0 HB2 SER A 59 75.878 11.009 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 59 76.446 11.645 2.698 1.00 0.00 H new ATOM 0 HG SER A 59 74.660 9.818 2.896 1.00 0.00 H new ATOM 922 N ASP A 60 78.941 11.706 2.109 1.00 0.00 N ATOM 923 CA ASP A 60 79.825 12.042 0.957 1.00 0.00 C ATOM 924 C ASP A 60 81.100 11.208 1.053 1.00 0.00 C ATOM 925 O ASP A 60 81.768 10.951 0.072 1.00 0.00 O ATOM 926 CB ASP A 60 80.184 13.527 1.005 1.00 0.00 C ATOM 927 CG ASP A 60 81.163 13.854 -0.123 1.00 0.00 C ATOM 928 OD1 ASP A 60 82.357 13.807 0.123 1.00 0.00 O ATOM 929 OD2 ASP A 60 80.703 14.145 -1.215 1.00 0.00 O ATOM 0 H ASP A 60 78.582 12.506 2.631 1.00 0.00 H new ATOM 0 HA ASP A 60 79.310 11.826 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 60 79.283 14.133 0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 60 80.629 13.773 1.969 1.00 0.00 H new ATOM 934 N HIS A 61 81.438 10.788 2.239 1.00 0.00 N ATOM 935 CA HIS A 61 82.665 9.975 2.423 1.00 0.00 C ATOM 936 C HIS A 61 82.434 8.561 1.883 1.00 0.00 C ATOM 937 O HIS A 61 81.346 8.024 1.932 1.00 0.00 O ATOM 938 CB HIS A 61 83.039 9.963 3.931 1.00 0.00 C ATOM 939 CG HIS A 61 82.852 8.595 4.543 1.00 0.00 C ATOM 940 ND1 HIS A 61 81.938 8.351 5.555 1.00 0.00 N ATOM 941 CD2 HIS A 61 83.466 7.392 4.296 1.00 0.00 C ATOM 942 CE1 HIS A 61 82.027 7.048 5.877 1.00 0.00 C ATOM 943 NE2 HIS A 61 82.944 6.417 5.140 1.00 0.00 N ATOM 0 H HIS A 61 80.912 10.976 3.092 1.00 0.00 H new ATOM 0 HA HIS A 61 83.496 10.407 1.866 1.00 0.00 H new ATOM 0 HB2 HIS A 61 84.076 10.276 4.051 1.00 0.00 H new ATOM 0 HB3 HIS A 61 82.423 10.687 4.464 1.00 0.00 H new ATOM 0 HD1 HIS A 61 81.311 9.035 5.979 1.00 0.00 H new ATOM 0 HD2 HIS A 61 84.237 7.228 3.558 1.00 0.00 H new ATOM 0 HE1 HIS A 61 81.429 6.570 6.639 1.00 0.00 H new ATOM 951 N ALA A 62 83.472 7.964 1.385 1.00 0.00 N ATOM 952 CA ALA A 62 83.371 6.586 0.848 1.00 0.00 C ATOM 953 C ALA A 62 84.781 6.005 0.798 1.00 0.00 C ATOM 954 O ALA A 62 85.751 6.731 0.692 1.00 0.00 O ATOM 955 CB ALA A 62 82.758 6.621 -0.556 1.00 0.00 C ATOM 0 H ALA A 62 84.402 8.379 1.326 1.00 0.00 H new ATOM 0 HA ALA A 62 82.732 5.970 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 62 82.686 5.606 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 62 81.763 7.063 -0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 62 83.389 7.219 -1.214 1.00 0.00 H new ATOM 961 N LEU A 63 84.914 4.712 0.892 1.00 0.00 N ATOM 962 CA LEU A 63 86.279 4.104 0.868 1.00 0.00 C ATOM 963 C LEU A 63 86.627 3.673 -0.558 1.00 0.00 C ATOM 964 O LEU A 63 85.787 3.202 -1.299 1.00 0.00 O ATOM 965 CB LEU A 63 86.315 2.874 1.780 1.00 0.00 C ATOM 966 CG LEU A 63 85.744 3.202 3.170 1.00 0.00 C ATOM 967 CD1 LEU A 63 86.410 4.466 3.726 1.00 0.00 C ATOM 968 CD2 LEU A 63 84.208 3.395 3.114 1.00 0.00 C ATOM 0 H LEU A 63 84.143 4.050 0.984 1.00 0.00 H new ATOM 0 HA LEU A 63 87.001 4.843 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 63 85.741 2.065 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 63 87.341 2.520 1.879 1.00 0.00 H new ATOM 0 HG LEU A 63 85.957 2.361 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 63 85.999 4.691 4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 63 87.485 4.304 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 63 86.220 5.303 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 63 83.834 3.626 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 63 83.969 4.216 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 63 83.739 2.479 2.753 1.00 0.00 H new ATOM 980 N TRP A 64 87.872 3.829 -0.938 1.00 0.00 N ATOM 981 CA TRP A 64 88.318 3.431 -2.320 1.00 0.00 C ATOM 982 C TRP A 64 89.533 2.502 -2.179 1.00 0.00 C ATOM 983 O TRP A 64 90.415 2.729 -1.368 1.00 0.00 O ATOM 984 CB TRP A 64 88.605 4.734 -3.142 1.00 0.00 C ATOM 985 CG TRP A 64 90.052 4.934 -3.537 1.00 0.00 C ATOM 986 CD1 TRP A 64 90.866 4.028 -4.134 1.00 0.00 C ATOM 987 CD2 TRP A 64 90.834 6.159 -3.436 1.00 0.00 C ATOM 988 NE1 TRP A 64 92.114 4.595 -4.316 1.00 0.00 N ATOM 989 CE2 TRP A 64 92.138 5.913 -3.922 1.00 0.00 C ATOM 990 CE3 TRP A 64 90.541 7.439 -2.949 1.00 0.00 C ATOM 991 CZ2 TRP A 64 93.118 6.907 -3.929 1.00 0.00 C ATOM 992 CZ3 TRP A 64 91.520 8.448 -2.958 1.00 0.00 C ATOM 993 CH2 TRP A 64 92.807 8.181 -3.446 1.00 0.00 C ATOM 0 H TRP A 64 88.608 4.218 -0.348 1.00 0.00 H new ATOM 0 HA TRP A 64 87.554 2.878 -2.867 1.00 0.00 H new ATOM 0 HB2 TRP A 64 87.996 4.717 -4.046 1.00 0.00 H new ATOM 0 HB3 TRP A 64 88.282 5.594 -2.556 1.00 0.00 H new ATOM 0 HD1 TRP A 64 90.585 3.026 -4.421 1.00 0.00 H new ATOM 0 HE1 TRP A 64 92.919 4.097 -4.696 1.00 0.00 H new ATOM 0 HE3 TRP A 64 89.555 7.653 -2.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 94.108 6.693 -4.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 91.280 9.433 -2.587 1.00 0.00 H new ATOM 0 HH2 TRP A 64 93.557 8.958 -3.449 1.00 0.00 H new ATOM 1004 N TRP A 65 89.569 1.439 -2.960 1.00 0.00 N ATOM 1005 CA TRP A 65 90.708 0.466 -2.882 1.00 0.00 C ATOM 1006 C TRP A 65 91.746 0.810 -3.954 1.00 0.00 C ATOM 1007 O TRP A 65 91.666 0.339 -5.065 1.00 0.00 O ATOM 1008 CB TRP A 65 90.173 -0.953 -3.128 1.00 0.00 C ATOM 1009 CG TRP A 65 91.168 -1.991 -2.684 1.00 0.00 C ATOM 1010 CD1 TRP A 65 92.419 -1.749 -2.213 1.00 0.00 C ATOM 1011 CD2 TRP A 65 91.011 -3.443 -2.678 1.00 0.00 C ATOM 1012 NE1 TRP A 65 93.023 -2.954 -1.913 1.00 0.00 N ATOM 1013 CE2 TRP A 65 92.202 -4.025 -2.186 1.00 0.00 C ATOM 1014 CE3 TRP A 65 89.960 -4.302 -3.047 1.00 0.00 C ATOM 1015 CZ2 TRP A 65 92.347 -5.407 -2.066 1.00 0.00 C ATOM 1016 CZ3 TRP A 65 90.104 -5.693 -2.930 1.00 0.00 C ATOM 1017 CH2 TRP A 65 91.295 -6.245 -2.441 1.00 0.00 C ATOM 0 H TRP A 65 88.854 1.206 -3.649 1.00 0.00 H new ATOM 0 HA TRP A 65 91.172 0.520 -1.897 1.00 0.00 H new ATOM 0 HB2 TRP A 65 89.235 -1.090 -2.590 1.00 0.00 H new ATOM 0 HB3 TRP A 65 89.954 -1.084 -4.188 1.00 0.00 H new ATOM 0 HD1 TRP A 65 92.868 -0.774 -2.093 1.00 0.00 H new ATOM 0 HE1 TRP A 65 93.966 -3.040 -1.534 1.00 0.00 H new ATOM 0 HE3 TRP A 65 89.036 -3.888 -3.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 93.267 -5.826 -1.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 89.291 -6.342 -3.219 1.00 0.00 H new ATOM 0 HH2 TRP A 65 91.399 -7.316 -2.354 1.00 0.00 H new ATOM 1028 N GLU A 66 92.702 1.645 -3.640 1.00 0.00 N ATOM 1029 CA GLU A 66 93.723 2.030 -4.663 1.00 0.00 C ATOM 1030 C GLU A 66 94.370 0.786 -5.258 1.00 0.00 C ATOM 1031 O GLU A 66 94.865 0.817 -6.364 1.00 0.00 O ATOM 1032 CB GLU A 66 94.804 2.900 -4.028 1.00 0.00 C ATOM 1033 CG GLU A 66 95.258 2.250 -2.734 1.00 0.00 C ATOM 1034 CD GLU A 66 96.371 3.084 -2.097 1.00 0.00 C ATOM 1035 OE1 GLU A 66 96.794 4.044 -2.719 1.00 0.00 O ATOM 1036 OE2 GLU A 66 96.782 2.747 -0.999 1.00 0.00 O ATOM 0 H GLU A 66 92.821 2.076 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 66 93.222 2.591 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 66 95.647 3.012 -4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 66 94.417 3.900 -3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 66 94.417 2.163 -2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 66 95.616 1.239 -2.930 1.00 0.00 H new ATOM 1043 N LYS A 67 94.366 -0.318 -4.569 1.00 0.00 N ATOM 1044 CA LYS A 67 94.975 -1.523 -5.187 1.00 0.00 C ATOM 1045 C LYS A 67 94.122 -1.837 -6.407 1.00 0.00 C ATOM 1046 O LYS A 67 94.443 -2.668 -7.232 1.00 0.00 O ATOM 1047 CB LYS A 67 94.934 -2.724 -4.238 1.00 0.00 C ATOM 1048 CG LYS A 67 95.566 -2.376 -2.890 1.00 0.00 C ATOM 1049 CD LYS A 67 97.018 -1.926 -3.084 1.00 0.00 C ATOM 1050 CE LYS A 67 97.786 -2.062 -1.759 1.00 0.00 C ATOM 1051 NZ LYS A 67 98.354 -3.437 -1.655 1.00 0.00 N ATOM 0 H LYS A 67 93.980 -0.438 -3.633 1.00 0.00 H new ATOM 0 HA LYS A 67 96.020 -1.335 -5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 67 93.901 -3.040 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 67 95.463 -3.565 -4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 67 94.994 -1.584 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 67 95.532 -3.243 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 67 97.496 -2.530 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 67 97.045 -0.892 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 67 98.585 -1.322 -1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 67 97.120 -1.867 -0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 98.874 -3.531 -0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 97.583 -4.134 -1.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 99.002 -3.606 -2.451 1.00 0.00 H new ATOM 1065 N LYS A 68 93.003 -1.166 -6.483 1.00 0.00 N ATOM 1066 CA LYS A 68 92.033 -1.371 -7.591 1.00 0.00 C ATOM 1067 C LYS A 68 91.561 -0.007 -8.107 1.00 0.00 C ATOM 1068 O LYS A 68 90.907 0.084 -9.127 1.00 0.00 O ATOM 1069 CB LYS A 68 90.812 -2.151 -7.055 1.00 0.00 C ATOM 1070 CG LYS A 68 91.237 -3.166 -5.980 1.00 0.00 C ATOM 1071 CD LYS A 68 91.891 -4.380 -6.648 1.00 0.00 C ATOM 1072 CE LYS A 68 92.695 -5.184 -5.616 1.00 0.00 C ATOM 1073 NZ LYS A 68 92.754 -6.612 -6.038 1.00 0.00 N ATOM 0 H LYS A 68 92.716 -0.464 -5.801 1.00 0.00 H new ATOM 0 HA LYS A 68 92.509 -1.929 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 68 90.086 -1.454 -6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 68 90.318 -2.670 -7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 68 91.935 -2.702 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 68 90.370 -3.481 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 68 91.126 -5.013 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 68 92.546 -4.051 -7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 68 93.703 -4.778 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 68 92.231 -5.103 -4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 93.298 -7.158 -5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 91.789 -6.995 -6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 93.216 -6.681 -6.967 1.00 0.00 H new ATOM 1087 N ARG A 69 91.850 1.046 -7.387 1.00 0.00 N ATOM 1088 CA ARG A 69 91.381 2.394 -7.814 1.00 0.00 C ATOM 1089 C ARG A 69 89.875 2.298 -8.021 1.00 0.00 C ATOM 1090 O ARG A 69 89.336 2.761 -9.007 1.00 0.00 O ATOM 1091 CB ARG A 69 92.056 2.820 -9.131 1.00 0.00 C ATOM 1092 CG ARG A 69 93.522 3.239 -8.888 1.00 0.00 C ATOM 1093 CD ARG A 69 94.435 2.010 -8.934 1.00 0.00 C ATOM 1094 NE ARG A 69 94.707 1.646 -10.353 1.00 0.00 N ATOM 1095 CZ ARG A 69 95.441 0.604 -10.629 1.00 0.00 C ATOM 1096 NH1 ARG A 69 95.672 0.278 -11.871 1.00 0.00 N ATOM 1097 NH2 ARG A 69 95.946 -0.112 -9.662 1.00 0.00 N ATOM 0 H ARG A 69 92.391 1.029 -6.522 1.00 0.00 H new ATOM 0 HA ARG A 69 91.634 3.137 -7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 69 92.022 1.997 -9.845 1.00 0.00 H new ATOM 0 HB3 ARG A 69 91.505 3.649 -9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.832 3.961 -9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 69 93.612 3.732 -7.920 1.00 0.00 H new ATOM 0 HD2 ARG A 69 95.371 2.219 -8.415 1.00 0.00 H new ATOM 0 HD3 ARG A 69 93.964 1.174 -8.417 1.00 0.00 H new ATOM 0 HE ARG A 69 94.319 2.212 -11.108 1.00 0.00 H new ATOM 0 HH11 ARG A 69 95.278 0.838 -12.627 1.00 0.00 H new ATOM 0 HH12 ARG A 69 96.246 -0.537 -12.086 1.00 0.00 H new ATOM 0 HH21 ARG A 69 95.767 0.143 -8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 69 96.520 -0.927 -9.877 1.00 0.00 H new ATOM 1111 N THR A 70 89.198 1.668 -7.093 1.00 0.00 N ATOM 1112 CA THR A 70 87.723 1.490 -7.210 1.00 0.00 C ATOM 1113 C THR A 70 87.024 2.351 -6.174 1.00 0.00 C ATOM 1114 O THR A 70 87.649 3.083 -5.450 1.00 0.00 O ATOM 1115 CB THR A 70 87.392 0.014 -6.943 1.00 0.00 C ATOM 1116 OG1 THR A 70 86.079 -0.269 -7.404 1.00 0.00 O ATOM 1117 CG2 THR A 70 87.491 -0.307 -5.443 1.00 0.00 C ATOM 0 H THR A 70 89.612 1.266 -6.252 1.00 0.00 H new ATOM 0 HA THR A 70 87.389 1.782 -8.206 1.00 0.00 H new ATOM 0 HB THR A 70 88.113 -0.604 -7.477 1.00 0.00 H new ATOM 0 HG1 THR A 70 85.869 -1.211 -7.235 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.252 -1.358 -5.279 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.504 -0.106 -5.094 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.787 0.315 -4.890 1.00 0.00 H new ATOM 1125 N TRP A 71 85.735 2.213 -6.075 1.00 0.00 N ATOM 1126 CA TRP A 71 84.950 2.965 -5.057 1.00 0.00 C ATOM 1127 C TRP A 71 84.115 1.936 -4.301 1.00 0.00 C ATOM 1128 O TRP A 71 83.103 1.456 -4.757 1.00 0.00 O ATOM 1129 CB TRP A 71 84.066 4.033 -5.719 1.00 0.00 C ATOM 1130 CG TRP A 71 83.505 3.567 -7.028 1.00 0.00 C ATOM 1131 CD1 TRP A 71 83.355 2.280 -7.425 1.00 0.00 C ATOM 1132 CD2 TRP A 71 83.001 4.387 -8.123 1.00 0.00 C ATOM 1133 NE1 TRP A 71 82.784 2.264 -8.674 1.00 0.00 N ATOM 1134 CE2 TRP A 71 82.551 3.535 -9.155 1.00 0.00 C ATOM 1135 CE3 TRP A 71 82.891 5.776 -8.316 1.00 0.00 C ATOM 1136 CZ2 TRP A 71 82.010 4.038 -10.338 1.00 0.00 C ATOM 1137 CZ3 TRP A 71 82.349 6.288 -9.506 1.00 0.00 C ATOM 1138 CH2 TRP A 71 81.909 5.420 -10.515 1.00 0.00 C ATOM 0 H TRP A 71 85.179 1.598 -6.669 1.00 0.00 H new ATOM 0 HA TRP A 71 85.608 3.500 -4.373 1.00 0.00 H new ATOM 0 HB2 TRP A 71 83.249 4.294 -5.047 1.00 0.00 H new ATOM 0 HB3 TRP A 71 84.650 4.939 -5.877 1.00 0.00 H new ATOM 0 HD1 TRP A 71 83.638 1.409 -6.853 1.00 0.00 H new ATOM 0 HE1 TRP A 71 82.559 1.411 -9.186 1.00 0.00 H new ATOM 0 HE3 TRP A 71 83.226 6.453 -7.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 81.672 3.364 -11.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 82.271 7.356 -9.645 1.00 0.00 H new ATOM 0 HH2 TRP A 71 81.492 5.819 -11.428 1.00 0.00 H new ATOM 1149 N LEU A 72 84.575 1.558 -3.158 1.00 0.00 N ATOM 1150 CA LEU A 72 83.875 0.507 -2.387 1.00 0.00 C ATOM 1151 C LEU A 72 82.450 0.936 -2.065 1.00 0.00 C ATOM 1152 O LEU A 72 82.146 1.433 -1.000 1.00 0.00 O ATOM 1153 CB LEU A 72 84.676 0.244 -1.116 1.00 0.00 C ATOM 1154 CG LEU A 72 86.113 -0.131 -1.510 1.00 0.00 C ATOM 1155 CD1 LEU A 72 87.023 -0.054 -0.285 1.00 0.00 C ATOM 1156 CD2 LEU A 72 86.157 -1.549 -2.113 1.00 0.00 C ATOM 0 H LEU A 72 85.414 1.933 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 72 83.805 -0.410 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 72 84.677 1.129 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 72 84.219 -0.561 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 72 86.464 0.575 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.041 -0.321 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.012 0.961 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.666 -0.747 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.183 -1.797 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 72 85.793 -2.268 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 72 85.526 -1.586 -3.001 1.00 0.00 H new ATOM 1168 N LEU A 73 81.573 0.717 -3.013 1.00 0.00 N ATOM 1169 CA LEU A 73 80.126 1.064 -2.843 1.00 0.00 C ATOM 1170 C LEU A 73 79.282 -0.201 -3.023 1.00 0.00 C ATOM 1171 O LEU A 73 78.069 -0.149 -3.057 1.00 0.00 O ATOM 1172 CB LEU A 73 79.706 2.120 -3.889 1.00 0.00 C ATOM 1173 CG LEU A 73 80.067 1.665 -5.336 1.00 0.00 C ATOM 1174 CD1 LEU A 73 78.864 0.995 -6.020 1.00 0.00 C ATOM 1175 CD2 LEU A 73 80.463 2.882 -6.182 1.00 0.00 C ATOM 0 H LEU A 73 81.803 0.304 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 73 79.969 1.475 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 73 78.633 2.296 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 73 80.200 3.067 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 73 80.892 0.956 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 73 79.143 0.687 -7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.559 0.121 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 73 78.036 1.701 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 73 80.714 2.557 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 73 79.630 3.583 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 73 81.327 3.372 -5.733 1.00 0.00 H new ATOM 1187 N LYS A 74 79.915 -1.338 -3.147 1.00 0.00 N ATOM 1188 CA LYS A 74 79.149 -2.604 -3.337 1.00 0.00 C ATOM 1189 C LYS A 74 78.593 -3.076 -1.985 1.00 0.00 C ATOM 1190 O LYS A 74 79.077 -4.025 -1.400 1.00 0.00 O ATOM 1191 CB LYS A 74 80.083 -3.679 -3.929 1.00 0.00 C ATOM 1192 CG LYS A 74 80.043 -3.636 -5.466 1.00 0.00 C ATOM 1193 CD LYS A 74 80.513 -2.268 -5.979 1.00 0.00 C ATOM 1194 CE LYS A 74 81.958 -2.000 -5.539 1.00 0.00 C ATOM 1195 NZ LYS A 74 82.733 -3.273 -5.544 1.00 0.00 N ATOM 0 H LYS A 74 80.929 -1.444 -3.125 1.00 0.00 H new ATOM 0 HA LYS A 74 78.318 -2.433 -4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 74 81.103 -3.516 -3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 74 79.781 -4.666 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 74 80.679 -4.422 -5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 74 79.029 -3.833 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 74 80.446 -2.237 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 74 79.858 -1.485 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 74 82.424 -1.278 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 74 81.968 -1.561 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 83.664 -3.111 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 82.859 -3.606 -4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 82.217 -3.991 -6.091 1.00 0.00 H new ATOM 1209 N THR A 75 77.579 -2.420 -1.490 1.00 0.00 N ATOM 1210 CA THR A 75 76.988 -2.827 -0.182 1.00 0.00 C ATOM 1211 C THR A 75 76.135 -4.088 -0.365 1.00 0.00 C ATOM 1212 O THR A 75 75.822 -4.778 0.585 1.00 0.00 O ATOM 1213 CB THR A 75 76.107 -1.691 0.351 1.00 0.00 C ATOM 1214 OG1 THR A 75 75.298 -1.192 -0.706 1.00 0.00 O ATOM 1215 CG2 THR A 75 76.980 -0.557 0.904 1.00 0.00 C ATOM 0 H THR A 75 77.133 -1.618 -1.935 1.00 0.00 H new ATOM 0 HA THR A 75 77.790 -3.036 0.526 1.00 0.00 H new ATOM 0 HB THR A 75 75.476 -2.074 1.153 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.405 -0.982 -0.363 1.00 0.00 H new ATOM 0 HG21 THR A 75 76.342 0.243 1.279 1.00 0.00 H new ATOM 0 HG22 THR A 75 77.600 -0.938 1.716 1.00 0.00 H new ATOM 0 HG23 THR A 75 77.619 -0.170 0.110 1.00 0.00 H new ATOM 1223 N HIS A 76 75.743 -4.387 -1.575 1.00 0.00 N ATOM 1224 CA HIS A 76 74.897 -5.594 -1.808 1.00 0.00 C ATOM 1225 C HIS A 76 75.755 -6.862 -1.751 1.00 0.00 C ATOM 1226 O HIS A 76 75.530 -7.807 -2.480 1.00 0.00 O ATOM 1227 CB HIS A 76 74.231 -5.492 -3.182 1.00 0.00 C ATOM 1228 CG HIS A 76 75.274 -5.202 -4.225 1.00 0.00 C ATOM 1229 ND1 HIS A 76 76.347 -6.049 -4.451 1.00 0.00 N ATOM 1230 CD2 HIS A 76 75.422 -4.164 -5.111 1.00 0.00 C ATOM 1231 CE1 HIS A 76 77.087 -5.510 -5.438 1.00 0.00 C ATOM 1232 NE2 HIS A 76 76.567 -4.361 -5.876 1.00 0.00 N ATOM 0 H HIS A 76 75.971 -3.849 -2.411 1.00 0.00 H new ATOM 0 HA HIS A 76 74.134 -5.647 -1.031 1.00 0.00 H new ATOM 0 HB2 HIS A 76 73.715 -6.423 -3.418 1.00 0.00 H new ATOM 0 HB3 HIS A 76 73.479 -4.703 -3.176 1.00 0.00 H new ATOM 0 HD2 HIS A 76 74.751 -3.322 -5.201 1.00 0.00 H new ATOM 0 HE1 HIS A 76 77.991 -5.953 -5.828 1.00 0.00 H new ATOM 0 HE2 HIS A 76 76.931 -3.757 -6.613 1.00 0.00 H new ATOM 1240 N TRP A 77 76.730 -6.895 -0.885 1.00 0.00 N ATOM 1241 CA TRP A 77 77.593 -8.106 -0.774 1.00 0.00 C ATOM 1242 C TRP A 77 78.575 -7.895 0.399 1.00 0.00 C ATOM 1243 O TRP A 77 78.205 -7.313 1.399 1.00 0.00 O ATOM 1244 CB TRP A 77 78.322 -8.331 -2.122 1.00 0.00 C ATOM 1245 CG TRP A 77 77.953 -9.664 -2.709 1.00 0.00 C ATOM 1246 CD1 TRP A 77 78.000 -10.842 -2.045 1.00 0.00 C ATOM 1247 CD2 TRP A 77 77.486 -9.971 -4.055 1.00 0.00 C ATOM 1248 NE1 TRP A 77 77.591 -11.852 -2.897 1.00 0.00 N ATOM 1249 CE2 TRP A 77 77.263 -11.366 -4.147 1.00 0.00 C ATOM 1250 CE3 TRP A 77 77.235 -9.184 -5.192 1.00 0.00 C ATOM 1251 CZ2 TRP A 77 76.809 -11.958 -5.325 1.00 0.00 C ATOM 1252 CZ3 TRP A 77 76.778 -9.777 -6.381 1.00 0.00 C ATOM 1253 CH2 TRP A 77 76.565 -11.161 -6.447 1.00 0.00 C ATOM 0 H TRP A 77 76.967 -6.134 -0.248 1.00 0.00 H new ATOM 0 HA TRP A 77 77.005 -9.001 -0.568 1.00 0.00 H new ATOM 0 HB2 TRP A 77 78.060 -7.536 -2.820 1.00 0.00 H new ATOM 0 HB3 TRP A 77 79.400 -8.280 -1.971 1.00 0.00 H new ATOM 0 HD1 TRP A 77 78.307 -10.972 -1.018 1.00 0.00 H new ATOM 0 HE1 TRP A 77 77.538 -12.836 -2.634 1.00 0.00 H new ATOM 0 HE3 TRP A 77 77.394 -8.117 -5.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 76.647 -13.025 -5.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 76.590 -9.163 -7.249 1.00 0.00 H new ATOM 0 HH2 TRP A 77 76.213 -11.611 -7.364 1.00 0.00 H new ATOM 1264 N THR A 78 79.811 -8.354 0.325 1.00 0.00 N ATOM 1265 CA THR A 78 80.723 -8.141 1.486 1.00 0.00 C ATOM 1266 C THR A 78 82.171 -8.107 0.998 1.00 0.00 C ATOM 1267 O THR A 78 82.525 -8.738 0.037 1.00 0.00 O ATOM 1268 CB THR A 78 80.507 -9.297 2.501 1.00 0.00 C ATOM 1269 OG1 THR A 78 79.447 -10.120 2.037 1.00 0.00 O ATOM 1270 CG2 THR A 78 80.143 -8.763 3.896 1.00 0.00 C ATOM 0 H THR A 78 80.211 -8.852 -0.470 1.00 0.00 H new ATOM 0 HA THR A 78 80.507 -7.191 1.974 1.00 0.00 H new ATOM 0 HB THR A 78 81.437 -9.861 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.302 -10.855 2.669 1.00 0.00 H new ATOM 0 HG21 THR A 78 79.999 -9.600 4.580 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.949 -8.128 4.264 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.223 -8.182 3.835 1.00 0.00 H new ATOM 1278 N LEU A 79 83.007 -7.373 1.665 1.00 0.00 N ATOM 1279 CA LEU A 79 84.436 -7.294 1.253 1.00 0.00 C ATOM 1280 C LEU A 79 84.952 -8.666 0.819 1.00 0.00 C ATOM 1281 O LEU A 79 85.531 -8.813 -0.239 1.00 0.00 O ATOM 1282 CB LEU A 79 85.256 -6.716 2.382 1.00 0.00 C ATOM 1283 CG LEU A 79 85.309 -7.611 3.611 1.00 0.00 C ATOM 1284 CD1 LEU A 79 86.176 -6.930 4.674 1.00 0.00 C ATOM 1285 CD2 LEU A 79 83.899 -7.836 4.191 1.00 0.00 C ATOM 0 H LEU A 79 82.764 -6.818 2.486 1.00 0.00 H new ATOM 0 HA LEU A 79 84.528 -6.633 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 79 86.271 -6.536 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 79 84.841 -5.748 2.664 1.00 0.00 H new ATOM 0 HG LEU A 79 85.727 -8.576 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 79 86.224 -7.560 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 79 87.182 -6.779 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 79 85.740 -5.966 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 79 83.965 -8.479 5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 79 83.465 -6.877 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 79 83.268 -8.311 3.440 1.00 0.00 H new ATOM 1297 N ASP A 80 84.717 -9.671 1.599 1.00 0.00 N ATOM 1298 CA ASP A 80 85.152 -11.040 1.214 1.00 0.00 C ATOM 1299 C ASP A 80 84.749 -11.317 -0.233 1.00 0.00 C ATOM 1300 O ASP A 80 85.427 -12.015 -0.960 1.00 0.00 O ATOM 1301 CB ASP A 80 84.426 -12.030 2.111 1.00 0.00 C ATOM 1302 CG ASP A 80 85.158 -13.374 2.118 1.00 0.00 C ATOM 1303 OD1 ASP A 80 84.509 -14.381 1.887 1.00 0.00 O ATOM 1304 OD2 ASP A 80 86.355 -13.374 2.356 1.00 0.00 O ATOM 0 H ASP A 80 84.238 -9.607 2.497 1.00 0.00 H new ATOM 0 HA ASP A 80 86.233 -11.132 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 80 84.365 -11.636 3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 80 83.403 -12.167 1.760 1.00 0.00 H new ATOM 1309 N LYS A 81 83.640 -10.773 -0.648 1.00 0.00 N ATOM 1310 CA LYS A 81 83.188 -11.009 -2.044 1.00 0.00 C ATOM 1311 C LYS A 81 84.182 -10.307 -2.953 1.00 0.00 C ATOM 1312 O LYS A 81 84.458 -10.739 -4.055 1.00 0.00 O ATOM 1313 CB LYS A 81 81.707 -10.541 -2.220 1.00 0.00 C ATOM 1314 CG LYS A 81 81.519 -9.505 -3.347 1.00 0.00 C ATOM 1315 CD LYS A 81 81.930 -8.104 -2.882 1.00 0.00 C ATOM 1316 CE LYS A 81 81.317 -7.054 -3.807 1.00 0.00 C ATOM 1317 NZ LYS A 81 81.941 -5.731 -3.531 1.00 0.00 N ATOM 0 H LYS A 81 83.031 -10.179 -0.084 1.00 0.00 H new ATOM 0 HA LYS A 81 83.175 -12.067 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 81 81.082 -11.410 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 81 81.356 -10.113 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 81 82.114 -9.793 -4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 81 80.477 -9.495 -3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 81 81.598 -7.938 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 81 83.016 -8.014 -2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 81 81.475 -7.333 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 81 80.239 -7.000 -3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 81.782 -5.097 -4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 81.515 -5.318 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 82.963 -5.853 -3.383 1.00 0.00 H new ATOM 1331 N TYR A 82 84.740 -9.239 -2.480 1.00 0.00 N ATOM 1332 CA TYR A 82 85.745 -8.507 -3.286 1.00 0.00 C ATOM 1333 C TYR A 82 87.068 -9.268 -3.164 1.00 0.00 C ATOM 1334 O TYR A 82 87.696 -9.599 -4.150 1.00 0.00 O ATOM 1335 CB TYR A 82 85.878 -7.069 -2.745 1.00 0.00 C ATOM 1336 CG TYR A 82 86.204 -6.090 -3.863 1.00 0.00 C ATOM 1337 CD1 TYR A 82 85.586 -4.832 -3.886 1.00 0.00 C ATOM 1338 CD2 TYR A 82 87.118 -6.433 -4.871 1.00 0.00 C ATOM 1339 CE1 TYR A 82 85.880 -3.923 -4.909 1.00 0.00 C ATOM 1340 CE2 TYR A 82 87.411 -5.522 -5.893 1.00 0.00 C ATOM 1341 CZ TYR A 82 86.792 -4.268 -5.912 1.00 0.00 C ATOM 1342 OH TYR A 82 87.081 -3.372 -6.921 1.00 0.00 O ATOM 0 H TYR A 82 84.543 -8.837 -1.563 1.00 0.00 H new ATOM 0 HA TYR A 82 85.452 -8.444 -4.334 1.00 0.00 H new ATOM 0 HB2 TYR A 82 84.949 -6.773 -2.258 1.00 0.00 H new ATOM 0 HB3 TYR A 82 86.660 -7.033 -1.987 1.00 0.00 H new ATOM 0 HD1 TYR A 82 84.881 -4.564 -3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 82 87.596 -7.401 -4.858 1.00 0.00 H new ATOM 0 HE1 TYR A 82 85.402 -2.954 -4.924 1.00 0.00 H new ATOM 0 HE2 TYR A 82 88.116 -5.788 -6.667 1.00 0.00 H new ATOM 0 HH TYR A 82 87.734 -3.769 -7.534 1.00 0.00 H new ATOM 1352 N GLY A 83 87.484 -9.565 -1.953 1.00 0.00 N ATOM 1353 CA GLY A 83 88.772 -10.328 -1.760 1.00 0.00 C ATOM 1354 C GLY A 83 89.701 -9.511 -0.871 1.00 0.00 C ATOM 1355 O GLY A 83 90.861 -9.824 -0.688 1.00 0.00 O ATOM 0 H GLY A 83 86.995 -9.316 -1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 83 88.571 -11.298 -1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 83 89.244 -10.520 -2.723 1.00 0.00 H new ATOM 1359 N ILE A 84 89.175 -8.471 -0.316 1.00 0.00 N ATOM 1360 CA ILE A 84 89.957 -7.589 0.584 1.00 0.00 C ATOM 1361 C ILE A 84 90.446 -8.404 1.783 1.00 0.00 C ATOM 1362 O ILE A 84 89.918 -9.454 2.085 1.00 0.00 O ATOM 1363 CB ILE A 84 88.988 -6.516 1.056 1.00 0.00 C ATOM 1364 CG1 ILE A 84 88.621 -5.579 -0.097 1.00 0.00 C ATOM 1365 CG2 ILE A 84 89.551 -5.692 2.201 1.00 0.00 C ATOM 1366 CD1 ILE A 84 87.309 -4.855 0.229 1.00 0.00 C ATOM 0 H ILE A 84 88.206 -8.183 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 84 90.824 -7.156 0.084 1.00 0.00 H new ATOM 0 HB ILE A 84 88.100 -7.036 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 84 89.419 -4.854 -0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 84 88.515 -6.147 -1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 84 88.821 -4.940 2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 84 89.768 -6.345 3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 84 90.468 -5.199 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 84 87.048 -4.188 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 84 86.514 -5.588 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 84 87.431 -4.274 1.143 1.00 0.00 H new ATOM 1378 N GLN A 85 91.437 -7.921 2.478 1.00 0.00 N ATOM 1379 CA GLN A 85 91.947 -8.658 3.668 1.00 0.00 C ATOM 1380 C GLN A 85 92.818 -7.714 4.507 1.00 0.00 C ATOM 1381 O GLN A 85 92.850 -6.521 4.292 1.00 0.00 O ATOM 1382 CB GLN A 85 92.782 -9.877 3.216 1.00 0.00 C ATOM 1383 CG GLN A 85 92.633 -11.040 4.227 1.00 0.00 C ATOM 1384 CD GLN A 85 91.438 -11.912 3.847 1.00 0.00 C ATOM 1385 OE1 GLN A 85 91.523 -13.124 3.849 1.00 0.00 O ATOM 1386 NE2 GLN A 85 90.322 -11.334 3.520 1.00 0.00 N ATOM 0 H GLN A 85 91.917 -7.045 2.273 1.00 0.00 H new ATOM 0 HA GLN A 85 91.106 -9.010 4.266 1.00 0.00 H new ATOM 0 HB2 GLN A 85 92.457 -10.202 2.228 1.00 0.00 H new ATOM 0 HB3 GLN A 85 93.831 -9.595 3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 85 93.543 -11.641 4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 85 92.499 -10.643 5.233 1.00 0.00 H new ATOM 0 HE21 GLN A 85 90.256 -10.316 3.520 1.00 0.00 H new ATOM 0 HE22 GLN A 85 89.512 -11.898 3.263 1.00 0.00 H new ATOM 1395 N ALA A 86 93.525 -8.247 5.456 1.00 0.00 N ATOM 1396 CA ALA A 86 94.394 -7.396 6.313 1.00 0.00 C ATOM 1397 C ALA A 86 95.545 -6.821 5.489 1.00 0.00 C ATOM 1398 O ALA A 86 96.128 -5.813 5.839 1.00 0.00 O ATOM 1399 CB ALA A 86 94.967 -8.256 7.432 1.00 0.00 C ATOM 0 H ALA A 86 93.540 -9.242 5.679 1.00 0.00 H new ATOM 0 HA ALA A 86 93.805 -6.576 6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 86 95.607 -7.645 8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 86 94.152 -8.670 8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 86 95.553 -9.069 7.003 1.00 0.00 H new ATOM 1405 N ASP A 87 95.885 -7.454 4.404 1.00 0.00 N ATOM 1406 CA ASP A 87 97.005 -6.946 3.567 1.00 0.00 C ATOM 1407 C ASP A 87 96.469 -5.874 2.621 1.00 0.00 C ATOM 1408 O ASP A 87 97.201 -5.279 1.855 1.00 0.00 O ATOM 1409 CB ASP A 87 97.595 -8.105 2.758 1.00 0.00 C ATOM 1410 CG ASP A 87 96.470 -9.035 2.299 1.00 0.00 C ATOM 1411 OD1 ASP A 87 95.554 -8.551 1.654 1.00 0.00 O ATOM 1412 OD2 ASP A 87 96.544 -10.215 2.600 1.00 0.00 O ATOM 0 H ASP A 87 95.435 -8.302 4.060 1.00 0.00 H new ATOM 0 HA ASP A 87 97.782 -6.518 4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 87 98.137 -7.720 1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 87 98.312 -8.657 3.365 1.00 0.00 H new ATOM 1417 N ALA A 88 95.189 -5.631 2.668 1.00 0.00 N ATOM 1418 CA ALA A 88 94.578 -4.608 1.777 1.00 0.00 C ATOM 1419 C ALA A 88 94.382 -3.305 2.550 1.00 0.00 C ATOM 1420 O ALA A 88 93.587 -3.236 3.460 1.00 0.00 O ATOM 1421 CB ALA A 88 93.224 -5.134 1.331 1.00 0.00 C ATOM 0 H ALA A 88 94.534 -6.103 3.292 1.00 0.00 H new ATOM 0 HA ALA A 88 95.222 -4.417 0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 88 92.749 -4.405 0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 88 93.357 -6.073 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 88 92.593 -5.302 2.204 1.00 0.00 H new ATOM 1427 N LYS A 89 95.095 -2.266 2.198 1.00 0.00 N ATOM 1428 CA LYS A 89 94.936 -0.965 2.921 1.00 0.00 C ATOM 1429 C LYS A 89 94.013 -0.048 2.132 1.00 0.00 C ATOM 1430 O LYS A 89 94.310 0.376 1.033 1.00 0.00 O ATOM 1431 CB LYS A 89 96.299 -0.287 3.109 1.00 0.00 C ATOM 1432 CG LYS A 89 97.383 -1.328 3.413 1.00 0.00 C ATOM 1433 CD LYS A 89 97.149 -1.974 4.788 1.00 0.00 C ATOM 1434 CE LYS A 89 97.923 -3.287 4.870 1.00 0.00 C ATOM 1435 NZ LYS A 89 99.370 -3.032 4.622 1.00 0.00 N ATOM 0 H LYS A 89 95.780 -2.261 1.442 1.00 0.00 H new ATOM 0 HA LYS A 89 94.503 -1.161 3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 89 96.562 0.268 2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.243 0.435 3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 89 97.382 -2.097 2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 89 98.365 -0.855 3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 89 97.473 -1.298 5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 89 96.085 -2.156 4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 89 97.787 -3.740 5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.537 -3.994 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 99.929 -3.837 4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.532 -2.913 3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 99.661 -2.168 5.122 1.00 0.00 H new ATOM 1449 N LEU A 90 92.890 0.261 2.709 1.00 0.00 N ATOM 1450 CA LEU A 90 91.901 1.160 2.044 1.00 0.00 C ATOM 1451 C LEU A 90 92.121 2.588 2.543 1.00 0.00 C ATOM 1452 O LEU A 90 92.951 2.836 3.388 1.00 0.00 O ATOM 1453 CB LEU A 90 90.467 0.707 2.366 1.00 0.00 C ATOM 1454 CG LEU A 90 90.419 -0.815 2.478 1.00 0.00 C ATOM 1455 CD1 LEU A 90 88.979 -1.258 2.741 1.00 0.00 C ATOM 1456 CD2 LEU A 90 90.915 -1.447 1.174 1.00 0.00 C ATOM 0 H LEU A 90 92.607 -0.075 3.629 1.00 0.00 H new ATOM 0 HA LEU A 90 92.040 1.119 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 90 90.133 1.160 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 90 89.785 1.045 1.586 1.00 0.00 H new ATOM 0 HG LEU A 90 91.059 -1.136 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 90 88.941 -2.344 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 90 88.625 -0.813 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 90 88.342 -0.933 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 90 90.879 -2.533 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 90 90.279 -1.126 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.941 -1.132 0.984 1.00 0.00 H new ATOM 1468 N GLN A 91 91.394 3.528 2.009 1.00 0.00 N ATOM 1469 CA GLN A 91 91.541 4.954 2.441 1.00 0.00 C ATOM 1470 C GLN A 91 90.148 5.538 2.668 1.00 0.00 C ATOM 1471 O GLN A 91 89.176 5.077 2.105 1.00 0.00 O ATOM 1472 CB GLN A 91 92.229 5.791 1.352 1.00 0.00 C ATOM 1473 CG GLN A 91 93.509 5.099 0.838 1.00 0.00 C ATOM 1474 CD GLN A 91 93.805 5.561 -0.580 1.00 0.00 C ATOM 1475 OE1 GLN A 91 94.629 4.989 -1.266 1.00 0.00 O ATOM 1476 NE2 GLN A 91 93.161 6.581 -1.048 1.00 0.00 N ATOM 0 H GLN A 91 90.695 3.372 1.283 1.00 0.00 H new ATOM 0 HA GLN A 91 92.143 4.981 3.349 1.00 0.00 H new ATOM 0 HB2 GLN A 91 91.540 5.949 0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 91 92.479 6.774 1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 91 94.349 5.335 1.491 1.00 0.00 H new ATOM 0 HG3 GLN A 91 93.383 4.017 0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 91 92.470 7.058 -0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 91 93.344 6.908 -1.997 1.00 0.00 H new ATOM 1485 N PHE A 92 90.058 6.567 3.470 1.00 0.00 N ATOM 1486 CA PHE A 92 88.741 7.226 3.739 1.00 0.00 C ATOM 1487 C PHE A 92 88.802 8.647 3.184 1.00 0.00 C ATOM 1488 O PHE A 92 89.714 9.395 3.475 1.00 0.00 O ATOM 1489 CB PHE A 92 88.493 7.231 5.260 1.00 0.00 C ATOM 1490 CG PHE A 92 87.408 8.223 5.653 1.00 0.00 C ATOM 1491 CD1 PHE A 92 87.674 9.602 5.685 1.00 0.00 C ATOM 1492 CD2 PHE A 92 86.140 7.756 6.021 1.00 0.00 C ATOM 1493 CE1 PHE A 92 86.677 10.501 6.083 1.00 0.00 C ATOM 1494 CE2 PHE A 92 85.145 8.656 6.415 1.00 0.00 C ATOM 1495 CZ PHE A 92 85.413 10.028 6.449 1.00 0.00 C ATOM 0 H PHE A 92 90.850 6.985 3.957 1.00 0.00 H new ATOM 0 HA PHE A 92 87.921 6.692 3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 92 88.206 6.231 5.585 1.00 0.00 H new ATOM 0 HB3 PHE A 92 89.419 7.481 5.778 1.00 0.00 H new ATOM 0 HD1 PHE A 92 88.649 9.969 5.402 1.00 0.00 H new ATOM 0 HD2 PHE A 92 85.930 6.697 6.000 1.00 0.00 H new ATOM 0 HE1 PHE A 92 86.884 11.561 6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 92 84.168 8.291 6.694 1.00 0.00 H new ATOM 0 HZ PHE A 92 84.645 10.721 6.758 1.00 0.00 H new ATOM 1505 N THR A 93 87.863 9.021 2.354 1.00 0.00 N ATOM 1506 CA THR A 93 87.910 10.398 1.768 1.00 0.00 C ATOM 1507 C THR A 93 86.522 10.802 1.245 1.00 0.00 C ATOM 1508 O THR A 93 85.688 9.962 0.976 1.00 0.00 O ATOM 1509 CB THR A 93 88.931 10.428 0.610 1.00 0.00 C ATOM 1510 OG1 THR A 93 88.456 11.268 -0.433 1.00 0.00 O ATOM 1511 CG2 THR A 93 89.144 9.025 0.046 1.00 0.00 C ATOM 0 H THR A 93 87.076 8.444 2.059 1.00 0.00 H new ATOM 0 HA THR A 93 88.212 11.104 2.542 1.00 0.00 H new ATOM 0 HB THR A 93 89.874 10.810 1.000 1.00 0.00 H new ATOM 0 HG1 THR A 93 89.109 11.284 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 93 89.867 9.066 -0.769 1.00 0.00 H new ATOM 0 HG22 THR A 93 89.520 8.370 0.832 1.00 0.00 H new ATOM 0 HG23 THR A 93 88.197 8.636 -0.328 1.00 0.00 H new ATOM 1519 N PRO A 94 86.282 12.089 1.094 1.00 0.00 N ATOM 1520 CA PRO A 94 84.976 12.616 0.587 1.00 0.00 C ATOM 1521 C PRO A 94 84.560 11.937 -0.726 1.00 0.00 C ATOM 1522 O PRO A 94 83.585 12.376 -1.313 1.00 0.00 O ATOM 1523 CB PRO A 94 85.231 14.131 0.381 1.00 0.00 C ATOM 1524 CG PRO A 94 86.717 14.310 0.487 1.00 0.00 C ATOM 1525 CD PRO A 94 87.216 13.187 1.388 1.00 0.00 C ATOM 0 HA PRO A 94 84.158 12.420 1.280 1.00 0.00 H new ATOM 0 HB2 PRO A 94 84.865 14.461 -0.591 1.00 0.00 H new ATOM 0 HB3 PRO A 94 84.711 14.722 1.135 1.00 0.00 H new ATOM 0 HG2 PRO A 94 87.187 14.259 -0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 94 86.963 15.285 0.907 1.00 0.00 H new ATOM 0 HD2 PRO A 94 88.246 12.913 1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 94 87.188 13.471 2.440 1.00 0.00 H new TER 1533 PRO A 94 ATOM 1534 N TYR B 541 47.216 43.827 10.404 1.00 0.00 N ATOM 1535 CA TYR B 541 47.739 43.198 11.650 1.00 0.00 C ATOM 1536 C TYR B 541 47.689 41.676 11.511 1.00 0.00 C ATOM 1537 O TYR B 541 47.700 40.952 12.487 1.00 0.00 O ATOM 1538 CB TYR B 541 46.877 43.630 12.838 1.00 0.00 C ATOM 1539 CG TYR B 541 47.535 43.188 14.125 1.00 0.00 C ATOM 1540 CD1 TYR B 541 47.023 42.096 14.838 1.00 0.00 C ATOM 1541 CD2 TYR B 541 48.660 43.870 14.604 1.00 0.00 C ATOM 1542 CE1 TYR B 541 47.635 41.689 16.030 1.00 0.00 C ATOM 1543 CE2 TYR B 541 49.271 43.462 15.796 1.00 0.00 C ATOM 1544 CZ TYR B 541 48.759 42.372 16.508 1.00 0.00 C ATOM 1545 OH TYR B 541 49.362 41.971 17.683 1.00 0.00 O ATOM 0 HA TYR B 541 48.769 43.515 11.814 1.00 0.00 H new ATOM 0 HB2 TYR B 541 46.751 44.713 12.835 1.00 0.00 H new ATOM 0 HB3 TYR B 541 45.882 43.193 12.757 1.00 0.00 H new ATOM 0 HD1 TYR B 541 46.156 41.568 14.468 1.00 0.00 H new ATOM 0 HD2 TYR B 541 49.057 44.711 14.054 1.00 0.00 H new ATOM 0 HE1 TYR B 541 47.240 40.848 16.580 1.00 0.00 H new ATOM 0 HE2 TYR B 541 50.138 43.989 16.166 1.00 0.00 H new ATOM 0 HH TYR B 541 50.129 42.551 17.871 1.00 0.00 H new ATOM 1555 N HIS B 542 47.632 41.185 10.303 1.00 0.00 N ATOM 1556 CA HIS B 542 47.580 39.716 10.094 1.00 0.00 C ATOM 1557 C HIS B 542 48.876 39.078 10.606 1.00 0.00 C ATOM 1558 O HIS B 542 49.526 39.597 11.492 1.00 0.00 O ATOM 1559 CB HIS B 542 47.415 39.437 8.598 1.00 0.00 C ATOM 1560 CG HIS B 542 46.473 40.448 8.003 1.00 0.00 C ATOM 1561 ND1 HIS B 542 46.430 40.709 6.642 1.00 0.00 N ATOM 1562 CD2 HIS B 542 45.533 41.271 8.572 1.00 0.00 C ATOM 1563 CE1 HIS B 542 45.492 41.653 6.440 1.00 0.00 C ATOM 1564 NE2 HIS B 542 44.915 42.031 7.584 1.00 0.00 N ATOM 0 H HIS B 542 47.619 41.744 9.450 1.00 0.00 H new ATOM 0 HA HIS B 542 46.739 39.291 10.641 1.00 0.00 H new ATOM 0 HB2 HIS B 542 48.383 39.487 8.099 1.00 0.00 H new ATOM 0 HB3 HIS B 542 47.029 38.429 8.445 1.00 0.00 H new ATOM 0 HD2 HIS B 542 45.307 41.321 9.627 1.00 0.00 H new ATOM 0 HE1 HIS B 542 45.237 42.056 5.471 1.00 0.00 H new ATOM 0 HE2 HIS B 542 44.180 42.727 7.707 1.00 0.00 H new ATOM 1572 N GLU B 543 49.255 37.957 10.055 1.00 0.00 N ATOM 1573 CA GLU B 543 50.508 37.289 10.511 1.00 0.00 C ATOM 1574 C GLU B 543 50.936 36.250 9.469 1.00 0.00 C ATOM 1575 O GLU B 543 51.789 36.506 8.642 1.00 0.00 O ATOM 1576 CB GLU B 543 50.267 36.612 11.878 1.00 0.00 C ATOM 1577 CG GLU B 543 48.786 36.233 12.018 1.00 0.00 C ATOM 1578 CD GLU B 543 48.626 35.170 13.110 1.00 0.00 C ATOM 1579 OE1 GLU B 543 48.989 34.033 12.859 1.00 0.00 O ATOM 1580 OE2 GLU B 543 48.144 35.513 14.176 1.00 0.00 O ATOM 0 H GLU B 543 48.752 37.475 9.310 1.00 0.00 H new ATOM 0 HA GLU B 543 51.301 38.028 10.622 1.00 0.00 H new ATOM 0 HB2 GLU B 543 50.889 35.722 11.968 1.00 0.00 H new ATOM 0 HB3 GLU B 543 50.557 37.286 12.684 1.00 0.00 H new ATOM 0 HG2 GLU B 543 48.197 37.116 12.267 1.00 0.00 H new ATOM 0 HG3 GLU B 543 48.406 35.854 11.069 1.00 0.00 H new ATOM 1587 N ARG B 544 50.336 35.089 9.501 1.00 0.00 N ATOM 1588 CA ARG B 544 50.675 34.018 8.524 1.00 0.00 C ATOM 1589 C ARG B 544 52.186 33.992 8.253 1.00 0.00 C ATOM 1590 O ARG B 544 52.627 33.665 7.169 1.00 0.00 O ATOM 1591 CB ARG B 544 49.909 34.296 7.232 1.00 0.00 C ATOM 1592 CG ARG B 544 48.451 33.834 7.378 1.00 0.00 C ATOM 1593 CD ARG B 544 47.722 34.696 8.417 1.00 0.00 C ATOM 1594 NE ARG B 544 46.261 34.698 8.119 1.00 0.00 N ATOM 1595 CZ ARG B 544 45.409 35.096 9.026 1.00 0.00 C ATOM 1596 NH1 ARG B 544 44.131 35.108 8.760 1.00 0.00 N ATOM 1597 NH2 ARG B 544 45.833 35.478 10.198 1.00 0.00 N ATOM 0 H ARG B 544 49.614 34.836 10.175 1.00 0.00 H new ATOM 0 HA ARG B 544 50.394 33.045 8.927 1.00 0.00 H new ATOM 0 HB2 ARG B 544 49.941 35.361 7.002 1.00 0.00 H new ATOM 0 HB3 ARG B 544 50.383 33.776 6.399 1.00 0.00 H new ATOM 0 HG2 ARG B 544 47.942 33.903 6.416 1.00 0.00 H new ATOM 0 HG3 ARG B 544 48.422 32.787 7.679 1.00 0.00 H new ATOM 0 HD2 ARG B 544 47.900 34.306 9.419 1.00 0.00 H new ATOM 0 HD3 ARG B 544 48.110 35.714 8.398 1.00 0.00 H new ATOM 0 HE ARG B 544 45.927 34.388 7.206 1.00 0.00 H new ATOM 0 HH11 ARG B 544 43.798 34.807 7.844 1.00 0.00 H new ATOM 0 HH12 ARG B 544 43.466 35.419 9.468 1.00 0.00 H new ATOM 0 HH21 ARG B 544 46.831 35.466 10.408 1.00 0.00 H new ATOM 0 HH22 ARG B 544 45.167 35.788 10.905 1.00 0.00 H new ATOM 1611 N ARG B 545 52.979 34.333 9.232 1.00 0.00 N ATOM 1612 CA ARG B 545 54.456 34.328 9.032 1.00 0.00 C ATOM 1613 C ARG B 545 54.876 32.956 8.486 1.00 0.00 C ATOM 1614 O ARG B 545 55.156 32.802 7.313 1.00 0.00 O ATOM 1615 CB ARG B 545 55.195 34.630 10.370 1.00 0.00 C ATOM 1616 CG ARG B 545 54.211 35.123 11.455 1.00 0.00 C ATOM 1617 CD ARG B 545 53.463 33.942 12.102 1.00 0.00 C ATOM 1618 NE ARG B 545 52.979 34.350 13.450 1.00 0.00 N ATOM 1619 CZ ARG B 545 52.077 33.633 14.062 1.00 0.00 C ATOM 1620 NH1 ARG B 545 51.651 33.989 15.243 1.00 0.00 N ATOM 1621 NH2 ARG B 545 51.600 32.561 13.492 1.00 0.00 N ATOM 0 H ARG B 545 52.668 34.615 10.162 1.00 0.00 H new ATOM 0 HA ARG B 545 54.728 35.107 8.319 1.00 0.00 H new ATOM 0 HB2 ARG B 545 55.703 33.731 10.718 1.00 0.00 H new ATOM 0 HB3 ARG B 545 55.963 35.385 10.202 1.00 0.00 H new ATOM 0 HG2 ARG B 545 54.756 35.676 12.220 1.00 0.00 H new ATOM 0 HG3 ARG B 545 53.493 35.814 11.013 1.00 0.00 H new ATOM 0 HD2 ARG B 545 52.623 33.641 11.476 1.00 0.00 H new ATOM 0 HD3 ARG B 545 54.124 33.079 12.185 1.00 0.00 H new ATOM 0 HE ARG B 545 53.352 35.189 13.894 1.00 0.00 H new ATOM 0 HH11 ARG B 545 52.023 34.828 15.688 1.00 0.00 H new ATOM 0 HH12 ARG B 545 50.946 33.428 15.721 1.00 0.00 H new ATOM 0 HH21 ARG B 545 51.932 32.284 12.568 1.00 0.00 H new ATOM 0 HH22 ARG B 545 50.895 32.000 13.970 1.00 0.00 H new ATOM 1635 N GLY B 546 54.919 31.961 9.328 1.00 0.00 N ATOM 1636 CA GLY B 546 55.319 30.603 8.859 1.00 0.00 C ATOM 1637 C GLY B 546 54.984 29.568 9.936 1.00 0.00 C ATOM 1638 O GLY B 546 53.859 29.127 10.060 1.00 0.00 O ATOM 0 H GLY B 546 54.695 32.029 10.321 1.00 0.00 H new ATOM 0 HA2 GLY B 546 54.799 30.360 7.932 1.00 0.00 H new ATOM 0 HA3 GLY B 546 56.387 30.583 8.640 1.00 0.00 H new ATOM 1642 N SER B 547 55.956 29.176 10.713 1.00 0.00 N ATOM 1643 CA SER B 547 55.708 28.169 11.780 1.00 0.00 C ATOM 1644 C SER B 547 56.945 28.113 12.672 1.00 0.00 C ATOM 1645 O SER B 547 58.017 27.798 12.221 1.00 0.00 O ATOM 1646 CB SER B 547 55.469 26.802 11.136 1.00 0.00 C ATOM 1647 OG SER B 547 54.087 26.660 10.834 1.00 0.00 O ATOM 0 H SER B 547 56.917 29.513 10.653 1.00 0.00 H new ATOM 0 HA SER B 547 54.832 28.439 12.370 1.00 0.00 H new ATOM 0 HB2 SER B 547 56.063 26.706 10.227 1.00 0.00 H new ATOM 0 HB3 SER B 547 55.789 26.008 11.811 1.00 0.00 H new ATOM 0 HG SER B 547 53.773 27.455 10.355 1.00 0.00 H new ATOM 1653 N LEU B 548 56.816 28.431 13.924 1.00 0.00 N ATOM 1654 CA LEU B 548 58.009 28.408 14.810 1.00 0.00 C ATOM 1655 C LEU B 548 58.638 27.020 14.817 1.00 0.00 C ATOM 1656 O LEU B 548 57.960 26.029 14.947 1.00 0.00 O ATOM 1657 CB LEU B 548 57.592 28.809 16.242 1.00 0.00 C ATOM 1658 CG LEU B 548 57.937 30.288 16.499 1.00 0.00 C ATOM 1659 CD1 LEU B 548 57.012 31.190 15.678 1.00 0.00 C ATOM 1660 CD2 LEU B 548 57.777 30.615 17.980 1.00 0.00 C ATOM 0 H LEU B 548 55.942 28.705 14.372 1.00 0.00 H new ATOM 0 HA LEU B 548 58.746 29.118 14.435 1.00 0.00 H new ATOM 0 HB2 LEU B 548 56.522 28.648 16.376 1.00 0.00 H new ATOM 0 HB3 LEU B 548 58.103 28.177 16.968 1.00 0.00 H new ATOM 0 HG LEU B 548 58.971 30.462 16.202 1.00 0.00 H new ATOM 0 HD11 LEU B 548 57.262 32.234 15.865 1.00 0.00 H new ATOM 0 HD12 LEU B 548 57.138 30.971 14.618 1.00 0.00 H new ATOM 0 HD13 LEU B 548 55.977 31.008 15.966 1.00 0.00 H new ATOM 0 HD21 LEU B 548 58.024 31.663 18.150 1.00 0.00 H new ATOM 0 HD22 LEU B 548 56.747 30.431 18.284 1.00 0.00 H new ATOM 0 HD23 LEU B 548 58.446 29.985 18.566 1.00 0.00 H new ATOM 1672 N CYS B 549 59.942 26.951 14.719 1.00 0.00 N ATOM 1673 CA CYS B 549 60.610 25.628 14.755 1.00 0.00 C ATOM 1674 C CYS B 549 60.780 25.277 16.223 1.00 0.00 C ATOM 1675 O CYS B 549 61.616 25.814 16.920 1.00 0.00 O ATOM 1676 CB CYS B 549 61.981 25.745 14.068 1.00 0.00 C ATOM 1677 SG CYS B 549 63.124 24.449 14.646 1.00 0.00 S ATOM 0 H CYS B 549 60.564 27.753 14.616 1.00 0.00 H new ATOM 0 HA CYS B 549 60.034 24.860 14.239 1.00 0.00 H new ATOM 0 HB2 CYS B 549 61.857 25.668 12.988 1.00 0.00 H new ATOM 0 HB3 CYS B 549 62.409 26.727 14.270 1.00 0.00 H new ATOM 1682 N SER B 550 59.960 24.392 16.694 1.00 0.00 N ATOM 1683 CA SER B 550 60.014 24.003 18.122 1.00 0.00 C ATOM 1684 C SER B 550 61.445 23.674 18.509 1.00 0.00 C ATOM 1685 O SER B 550 62.117 22.880 17.881 1.00 0.00 O ATOM 1686 CB SER B 550 59.095 22.813 18.362 1.00 0.00 C ATOM 1687 OG SER B 550 59.491 22.142 19.551 1.00 0.00 O ATOM 0 H SER B 550 59.245 23.915 16.144 1.00 0.00 H new ATOM 0 HA SER B 550 59.674 24.831 18.743 1.00 0.00 H new ATOM 0 HB2 SER B 550 58.062 23.149 18.448 1.00 0.00 H new ATOM 0 HB3 SER B 550 59.138 22.129 17.514 1.00 0.00 H new ATOM 0 HG SER B 550 58.899 21.377 19.707 1.00 0.00 H new ATOM 1693 N GLY B 551 61.917 24.327 19.528 1.00 0.00 N ATOM 1694 CA GLY B 551 63.323 24.137 19.990 1.00 0.00 C ATOM 1695 C GLY B 551 64.068 25.412 19.644 1.00 0.00 C ATOM 1696 O GLY B 551 64.945 25.864 20.353 1.00 0.00 O ATOM 0 H GLY B 551 61.379 25.000 20.074 1.00 0.00 H new ATOM 0 HA2 GLY B 551 63.356 23.948 21.063 1.00 0.00 H new ATOM 0 HA3 GLY B 551 63.779 23.277 19.500 1.00 0.00 H new ATOM 1700 N CYS B 552 63.683 26.003 18.552 1.00 0.00 N ATOM 1701 CA CYS B 552 64.291 27.273 18.102 1.00 0.00 C ATOM 1702 C CYS B 552 63.273 28.377 18.363 1.00 0.00 C ATOM 1703 O CYS B 552 63.605 29.496 18.693 1.00 0.00 O ATOM 1704 CB CYS B 552 64.536 27.175 16.597 1.00 0.00 C ATOM 1705 SG CYS B 552 66.125 26.378 16.277 1.00 0.00 S ATOM 0 H CYS B 552 62.951 25.645 17.938 1.00 0.00 H new ATOM 0 HA CYS B 552 65.228 27.476 18.621 1.00 0.00 H new ATOM 0 HB2 CYS B 552 63.734 26.606 16.126 1.00 0.00 H new ATOM 0 HB3 CYS B 552 64.524 28.170 16.153 1.00 0.00 H new ATOM 1710 N GLN B 553 62.028 28.044 18.192 1.00 0.00 N ATOM 1711 CA GLN B 553 60.940 29.026 18.383 1.00 0.00 C ATOM 1712 C GLN B 553 61.185 30.245 17.514 1.00 0.00 C ATOM 1713 O GLN B 553 61.217 31.374 17.959 1.00 0.00 O ATOM 1714 CB GLN B 553 60.797 29.403 19.844 1.00 0.00 C ATOM 1715 CG GLN B 553 60.345 28.162 20.616 1.00 0.00 C ATOM 1716 CD GLN B 553 58.931 27.743 20.202 1.00 0.00 C ATOM 1717 OE1 GLN B 553 57.961 28.102 20.840 1.00 0.00 O ATOM 1718 NE2 GLN B 553 58.783 26.989 19.147 1.00 0.00 N ATOM 0 H GLN B 553 61.716 27.111 17.922 1.00 0.00 H new ATOM 0 HA GLN B 553 59.998 28.571 18.076 1.00 0.00 H new ATOM 0 HB2 GLN B 553 61.745 29.770 20.236 1.00 0.00 H new ATOM 0 HB3 GLN B 553 60.071 30.208 19.960 1.00 0.00 H new ATOM 0 HG2 GLN B 553 61.039 27.342 20.432 1.00 0.00 H new ATOM 0 HG3 GLN B 553 60.369 28.366 21.686 1.00 0.00 H new ATOM 0 HE21 GLN B 553 59.600 26.690 18.615 1.00 0.00 H new ATOM 0 HE22 GLN B 553 57.850 26.698 18.855 1.00 0.00 H new ATOM 1727 N LYS B 554 61.309 29.982 16.252 1.00 0.00 N ATOM 1728 CA LYS B 554 61.506 31.050 15.226 1.00 0.00 C ATOM 1729 C LYS B 554 60.670 30.644 13.992 1.00 0.00 C ATOM 1730 O LYS B 554 60.841 29.551 13.490 1.00 0.00 O ATOM 1731 CB LYS B 554 62.982 31.136 14.819 1.00 0.00 C ATOM 1732 CG LYS B 554 63.846 31.547 16.018 1.00 0.00 C ATOM 1733 CD LYS B 554 63.529 32.991 16.439 1.00 0.00 C ATOM 1734 CE LYS B 554 64.708 33.574 17.225 1.00 0.00 C ATOM 1735 NZ LYS B 554 65.867 33.775 16.310 1.00 0.00 N ATOM 0 H LYS B 554 61.282 29.037 15.868 1.00 0.00 H new ATOM 0 HA LYS B 554 61.202 32.019 15.623 1.00 0.00 H new ATOM 0 HB2 LYS B 554 63.316 30.172 14.435 1.00 0.00 H new ATOM 0 HB3 LYS B 554 63.101 31.859 14.012 1.00 0.00 H new ATOM 0 HG2 LYS B 554 63.665 30.870 16.853 1.00 0.00 H new ATOM 0 HG3 LYS B 554 64.902 31.460 15.760 1.00 0.00 H new ATOM 0 HD2 LYS B 554 63.331 33.601 15.558 1.00 0.00 H new ATOM 0 HD3 LYS B 554 62.627 33.011 17.051 1.00 0.00 H new ATOM 0 HE2 LYS B 554 64.422 34.522 17.680 1.00 0.00 H new ATOM 0 HE3 LYS B 554 64.985 32.902 18.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 554 66.448 34.566 16.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 554 66.443 32.909 16.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 554 65.521 33.990 15.353 1.00 0.00 H new ATOM 1749 N PRO B 555 59.757 31.461 13.505 1.00 0.00 N ATOM 1750 CA PRO B 555 58.921 31.057 12.336 1.00 0.00 C ATOM 1751 C PRO B 555 59.693 30.383 11.202 1.00 0.00 C ATOM 1752 O PRO B 555 60.735 30.832 10.767 1.00 0.00 O ATOM 1753 CB PRO B 555 58.332 32.392 11.885 1.00 0.00 C ATOM 1754 CG PRO B 555 58.395 33.347 13.088 1.00 0.00 C ATOM 1755 CD PRO B 555 59.468 32.813 14.061 1.00 0.00 C ATOM 0 HA PRO B 555 58.188 30.298 12.610 1.00 0.00 H new ATOM 0 HB2 PRO B 555 58.895 32.796 11.043 1.00 0.00 H new ATOM 0 HB3 PRO B 555 57.303 32.264 11.549 1.00 0.00 H new ATOM 0 HG2 PRO B 555 58.645 34.356 12.761 1.00 0.00 H new ATOM 0 HG3 PRO B 555 57.425 33.403 13.582 1.00 0.00 H new ATOM 0 HD2 PRO B 555 60.356 33.445 14.074 1.00 0.00 H new ATOM 0 HD3 PRO B 555 59.098 32.761 15.085 1.00 0.00 H new ATOM 1763 N ILE B 556 59.145 29.305 10.721 1.00 0.00 N ATOM 1764 CA ILE B 556 59.760 28.549 9.603 1.00 0.00 C ATOM 1765 C ILE B 556 59.155 29.074 8.299 1.00 0.00 C ATOM 1766 O ILE B 556 58.056 28.710 7.929 1.00 0.00 O ATOM 1767 CB ILE B 556 59.411 27.071 9.780 1.00 0.00 C ATOM 1768 CG1 ILE B 556 60.127 26.500 11.027 1.00 0.00 C ATOM 1769 CG2 ILE B 556 59.849 26.293 8.544 1.00 0.00 C ATOM 1770 CD1 ILE B 556 59.369 25.268 11.571 1.00 0.00 C ATOM 0 H ILE B 556 58.272 28.907 11.068 1.00 0.00 H new ATOM 0 HA ILE B 556 60.843 28.668 9.585 1.00 0.00 H new ATOM 0 HB ILE B 556 58.333 26.975 9.913 1.00 0.00 H new ATOM 0 HG12 ILE B 556 61.149 26.221 10.771 1.00 0.00 H new ATOM 0 HG13 ILE B 556 60.190 27.266 11.800 1.00 0.00 H new ATOM 0 HG21 ILE B 556 59.600 25.239 8.670 1.00 0.00 H new ATOM 0 HG22 ILE B 556 59.335 26.685 7.666 1.00 0.00 H new ATOM 0 HG23 ILE B 556 60.926 26.398 8.411 1.00 0.00 H new ATOM 0 HD11 ILE B 556 59.887 24.880 12.448 1.00 0.00 H new ATOM 0 HD12 ILE B 556 58.355 25.557 11.847 1.00 0.00 H new ATOM 0 HD13 ILE B 556 59.329 24.496 10.802 1.00 0.00 H new ATOM 1782 N THR B 557 59.841 29.957 7.621 1.00 0.00 N ATOM 1783 CA THR B 557 59.284 30.544 6.361 1.00 0.00 C ATOM 1784 C THR B 557 59.870 29.862 5.124 1.00 0.00 C ATOM 1785 O THR B 557 60.888 30.258 4.593 1.00 0.00 O ATOM 1786 CB THR B 557 59.612 32.033 6.343 1.00 0.00 C ATOM 1787 OG1 THR B 557 60.962 32.218 5.939 1.00 0.00 O ATOM 1788 CG2 THR B 557 59.410 32.591 7.752 1.00 0.00 C ATOM 0 H THR B 557 60.765 30.299 7.884 1.00 0.00 H new ATOM 0 HA THR B 557 58.205 30.390 6.338 1.00 0.00 H new ATOM 0 HB THR B 557 58.960 32.553 5.641 1.00 0.00 H new ATOM 0 HG1 THR B 557 61.080 31.879 5.027 1.00 0.00 H new ATOM 0 HG21 THR B 557 59.640 33.656 7.758 1.00 0.00 H new ATOM 0 HG22 THR B 557 58.374 32.442 8.057 1.00 0.00 H new ATOM 0 HG23 THR B 557 60.071 32.073 8.447 1.00 0.00 H new ATOM 1796 N GLY B 558 59.209 28.840 4.667 1.00 0.00 N ATOM 1797 CA GLY B 558 59.667 28.095 3.463 1.00 0.00 C ATOM 1798 C GLY B 558 59.083 26.690 3.546 1.00 0.00 C ATOM 1799 O GLY B 558 57.944 26.454 3.195 1.00 0.00 O ATOM 0 H GLY B 558 58.351 28.481 5.086 1.00 0.00 H new ATOM 0 HA2 GLY B 558 59.335 28.595 2.553 1.00 0.00 H new ATOM 0 HA3 GLY B 558 60.756 28.056 3.427 1.00 0.00 H new ATOM 1803 N ARG B 559 59.851 25.769 4.049 1.00 0.00 N ATOM 1804 CA ARG B 559 59.375 24.370 4.222 1.00 0.00 C ATOM 1805 C ARG B 559 59.301 24.108 5.717 1.00 0.00 C ATOM 1806 O ARG B 559 60.040 24.691 6.483 1.00 0.00 O ATOM 1807 CB ARG B 559 60.384 23.409 3.573 1.00 0.00 C ATOM 1808 CG ARG B 559 60.052 23.234 2.082 1.00 0.00 C ATOM 1809 CD ARG B 559 58.998 22.133 1.901 1.00 0.00 C ATOM 1810 NE ARG B 559 58.301 22.325 0.598 1.00 0.00 N ATOM 1811 CZ ARG B 559 57.584 21.359 0.094 1.00 0.00 C ATOM 1812 NH1 ARG B 559 56.969 21.528 -1.045 1.00 0.00 N ATOM 1813 NH2 ARG B 559 57.481 20.222 0.727 1.00 0.00 N ATOM 0 H ARG B 559 60.811 25.930 4.355 1.00 0.00 H new ATOM 0 HA ARG B 559 58.402 24.220 3.755 1.00 0.00 H new ATOM 0 HB2 ARG B 559 61.396 23.798 3.686 1.00 0.00 H new ATOM 0 HB3 ARG B 559 60.356 22.443 4.077 1.00 0.00 H new ATOM 0 HG2 ARG B 559 59.682 24.173 1.671 1.00 0.00 H new ATOM 0 HG3 ARG B 559 60.955 22.978 1.528 1.00 0.00 H new ATOM 0 HD2 ARG B 559 59.472 21.152 1.931 1.00 0.00 H new ATOM 0 HD3 ARG B 559 58.278 22.165 2.719 1.00 0.00 H new ATOM 0 HE ARG B 559 58.385 23.211 0.100 1.00 0.00 H new ATOM 0 HH11 ARG B 559 57.049 22.416 -1.541 1.00 0.00 H new ATOM 0 HH12 ARG B 559 56.408 20.772 -1.439 1.00 0.00 H new ATOM 0 HH21 ARG B 559 57.961 20.088 1.617 1.00 0.00 H new ATOM 0 HH22 ARG B 559 56.920 19.467 0.332 1.00 0.00 H new ATOM 1827 N CYS B 560 58.423 23.249 6.154 1.00 0.00 N ATOM 1828 CA CYS B 560 58.336 22.980 7.618 1.00 0.00 C ATOM 1829 C CYS B 560 58.005 21.528 7.894 1.00 0.00 C ATOM 1830 O CYS B 560 57.027 20.986 7.418 1.00 0.00 O ATOM 1831 CB CYS B 560 57.275 23.873 8.257 1.00 0.00 C ATOM 1832 SG CYS B 560 55.680 23.596 7.447 1.00 0.00 S ATOM 0 H CYS B 560 57.769 22.727 5.570 1.00 0.00 H new ATOM 0 HA CYS B 560 59.311 23.201 8.053 1.00 0.00 H new ATOM 0 HB2 CYS B 560 57.196 23.656 9.322 1.00 0.00 H new ATOM 0 HB3 CYS B 560 57.564 24.920 8.166 1.00 0.00 H new ATOM 0 HG CYS B 560 55.620 22.372 7.013 1.00 0.00 H new ATOM 1838 N ILE B 561 58.817 20.909 8.698 1.00 0.00 N ATOM 1839 CA ILE B 561 58.582 19.501 9.069 1.00 0.00 C ATOM 1840 C ILE B 561 57.734 19.493 10.316 1.00 0.00 C ATOM 1841 O ILE B 561 57.846 20.351 11.167 1.00 0.00 O ATOM 1842 CB ILE B 561 59.918 18.834 9.361 1.00 0.00 C ATOM 1843 CG1 ILE B 561 60.716 18.851 8.071 1.00 0.00 C ATOM 1844 CG2 ILE B 561 59.720 17.383 9.825 1.00 0.00 C ATOM 1845 CD1 ILE B 561 62.053 18.149 8.277 1.00 0.00 C ATOM 0 H ILE B 561 59.646 21.330 9.118 1.00 0.00 H new ATOM 0 HA ILE B 561 58.083 18.964 8.263 1.00 0.00 H new ATOM 0 HB ILE B 561 60.436 19.367 10.158 1.00 0.00 H new ATOM 0 HG12 ILE B 561 60.154 18.356 7.279 1.00 0.00 H new ATOM 0 HG13 ILE B 561 60.881 19.879 7.749 1.00 0.00 H new ATOM 0 HG21 ILE B 561 60.691 16.930 10.027 1.00 0.00 H new ATOM 0 HG22 ILE B 561 59.118 17.370 10.733 1.00 0.00 H new ATOM 0 HG23 ILE B 561 59.211 16.818 9.044 1.00 0.00 H new ATOM 0 HD11 ILE B 561 62.620 18.166 7.346 1.00 0.00 H new ATOM 0 HD12 ILE B 561 62.618 18.663 9.055 1.00 0.00 H new ATOM 0 HD13 ILE B 561 61.879 17.116 8.577 1.00 0.00 H new ATOM 1857 N THR B 562 56.894 18.519 10.421 1.00 0.00 N ATOM 1858 CA THR B 562 56.004 18.399 11.611 1.00 0.00 C ATOM 1859 C THR B 562 56.263 17.073 12.286 1.00 0.00 C ATOM 1860 O THR B 562 56.583 16.084 11.659 1.00 0.00 O ATOM 1861 CB THR B 562 54.531 18.480 11.211 1.00 0.00 C ATOM 1862 OG1 THR B 562 54.336 19.578 10.330 1.00 0.00 O ATOM 1863 CG2 THR B 562 53.681 18.669 12.473 1.00 0.00 C ATOM 0 H THR B 562 56.777 17.783 9.725 1.00 0.00 H new ATOM 0 HA THR B 562 56.220 19.224 12.290 1.00 0.00 H new ATOM 0 HB THR B 562 54.234 17.562 10.704 1.00 0.00 H new ATOM 0 HG1 THR B 562 53.398 19.608 10.048 1.00 0.00 H new ATOM 0 HG21 THR B 562 52.628 18.728 12.197 1.00 0.00 H new ATOM 0 HG22 THR B 562 53.834 17.824 13.144 1.00 0.00 H new ATOM 0 HG23 THR B 562 53.976 19.590 12.976 1.00 0.00 H new ATOM 1871 N ALA B 563 56.143 17.066 13.571 1.00 0.00 N ATOM 1872 CA ALA B 563 56.388 15.843 14.369 1.00 0.00 C ATOM 1873 C ALA B 563 55.155 15.551 15.208 1.00 0.00 C ATOM 1874 O ALA B 563 54.044 15.479 14.720 1.00 0.00 O ATOM 1875 CB ALA B 563 57.594 16.081 15.275 1.00 0.00 C ATOM 0 H ALA B 563 55.877 17.882 14.122 1.00 0.00 H new ATOM 0 HA ALA B 563 56.589 14.993 13.716 1.00 0.00 H new ATOM 0 HB1 ALA B 563 57.785 15.187 15.869 1.00 0.00 H new ATOM 0 HB2 ALA B 563 58.469 16.305 14.665 1.00 0.00 H new ATOM 0 HB3 ALA B 563 57.390 16.921 15.939 1.00 0.00 H new ATOM 1881 N MET B 564 55.366 15.380 16.467 1.00 0.00 N ATOM 1882 CA MET B 564 54.279 15.092 17.431 1.00 0.00 C ATOM 1883 C MET B 564 53.355 16.308 17.507 1.00 0.00 C ATOM 1884 O MET B 564 52.761 16.584 18.527 1.00 0.00 O ATOM 1885 CB MET B 564 54.933 14.850 18.801 1.00 0.00 C ATOM 1886 CG MET B 564 56.398 14.391 18.619 1.00 0.00 C ATOM 1887 SD MET B 564 57.473 15.843 18.480 1.00 0.00 S ATOM 1888 CE MET B 564 58.982 15.072 19.116 1.00 0.00 C ATOM 0 H MET B 564 56.292 15.430 16.892 1.00 0.00 H new ATOM 0 HA MET B 564 53.698 14.221 17.127 1.00 0.00 H new ATOM 0 HB2 MET B 564 54.902 15.764 19.394 1.00 0.00 H new ATOM 0 HB3 MET B 564 54.373 14.094 19.351 1.00 0.00 H new ATOM 0 HG2 MET B 564 56.706 13.777 19.465 1.00 0.00 H new ATOM 0 HG3 MET B 564 56.488 13.772 17.727 1.00 0.00 H new ATOM 0 HE1 MET B 564 59.791 15.803 19.118 1.00 0.00 H new ATOM 0 HE2 MET B 564 58.809 14.718 20.133 1.00 0.00 H new ATOM 0 HE3 MET B 564 59.256 14.230 18.481 1.00 0.00 H new ATOM 1898 N ALA B 565 53.306 17.030 16.427 1.00 0.00 N ATOM 1899 CA ALA B 565 52.509 18.287 16.295 1.00 0.00 C ATOM 1900 C ALA B 565 53.495 19.439 16.390 1.00 0.00 C ATOM 1901 O ALA B 565 53.166 20.587 16.163 1.00 0.00 O ATOM 1902 CB ALA B 565 51.439 18.431 17.380 1.00 0.00 C ATOM 0 H ALA B 565 53.816 16.786 15.578 1.00 0.00 H new ATOM 0 HA ALA B 565 51.975 18.275 15.345 1.00 0.00 H new ATOM 0 HB1 ALA B 565 50.893 19.363 17.231 1.00 0.00 H new ATOM 0 HB2 ALA B 565 50.746 17.591 17.322 1.00 0.00 H new ATOM 0 HB3 ALA B 565 51.914 18.441 18.361 1.00 0.00 H new ATOM 1908 N LYS B 566 54.719 19.123 16.718 1.00 0.00 N ATOM 1909 CA LYS B 566 55.762 20.168 16.824 1.00 0.00 C ATOM 1910 C LYS B 566 56.310 20.446 15.429 1.00 0.00 C ATOM 1911 O LYS B 566 56.348 19.571 14.592 1.00 0.00 O ATOM 1912 CB LYS B 566 56.891 19.656 17.716 1.00 0.00 C ATOM 1913 CG LYS B 566 56.327 19.171 19.060 1.00 0.00 C ATOM 1914 CD LYS B 566 55.802 20.368 19.903 1.00 0.00 C ATOM 1915 CE LYS B 566 54.268 20.451 19.833 1.00 0.00 C ATOM 1916 NZ LYS B 566 53.677 19.544 20.858 1.00 0.00 N ATOM 0 H LYS B 566 55.038 18.175 16.918 1.00 0.00 H new ATOM 0 HA LYS B 566 55.344 21.079 17.251 1.00 0.00 H new ATOM 0 HB2 LYS B 566 57.416 18.841 17.218 1.00 0.00 H new ATOM 0 HB3 LYS B 566 57.620 20.449 17.884 1.00 0.00 H new ATOM 0 HG2 LYS B 566 55.519 18.461 18.885 1.00 0.00 H new ATOM 0 HG3 LYS B 566 57.102 18.642 19.615 1.00 0.00 H new ATOM 0 HD2 LYS B 566 56.118 20.255 20.940 1.00 0.00 H new ATOM 0 HD3 LYS B 566 56.239 21.297 19.536 1.00 0.00 H new ATOM 0 HE2 LYS B 566 53.940 21.476 20.006 1.00 0.00 H new ATOM 0 HE3 LYS B 566 53.922 20.169 18.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 566 52.639 19.598 20.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 566 53.981 18.567 20.673 1.00 0.00 H new ATOM 0 HZ3 LYS B 566 53.998 19.833 21.804 1.00 0.00 H new ATOM 1930 N LYS B 567 56.744 21.648 15.172 1.00 0.00 N ATOM 1931 CA LYS B 567 57.299 21.977 13.827 1.00 0.00 C ATOM 1932 C LYS B 567 58.813 21.837 13.896 1.00 0.00 C ATOM 1933 O LYS B 567 59.364 21.574 14.947 1.00 0.00 O ATOM 1934 CB LYS B 567 56.898 23.403 13.444 1.00 0.00 C ATOM 1935 CG LYS B 567 55.484 23.712 13.969 1.00 0.00 C ATOM 1936 CD LYS B 567 54.454 22.708 13.413 1.00 0.00 C ATOM 1937 CE LYS B 567 54.348 22.859 11.893 1.00 0.00 C ATOM 1938 NZ LYS B 567 53.078 22.237 11.423 1.00 0.00 N ATOM 0 H LYS B 567 56.739 22.421 15.838 1.00 0.00 H new ATOM 0 HA LYS B 567 56.906 21.301 13.067 1.00 0.00 H new ATOM 0 HB2 LYS B 567 57.612 24.114 13.859 1.00 0.00 H new ATOM 0 HB3 LYS B 567 56.926 23.519 12.361 1.00 0.00 H new ATOM 0 HG2 LYS B 567 55.481 23.675 15.058 1.00 0.00 H new ATOM 0 HG3 LYS B 567 55.200 24.725 13.684 1.00 0.00 H new ATOM 0 HD2 LYS B 567 54.752 21.690 13.666 1.00 0.00 H new ATOM 0 HD3 LYS B 567 53.481 22.879 13.873 1.00 0.00 H new ATOM 0 HE2 LYS B 567 54.373 23.914 11.618 1.00 0.00 H new ATOM 0 HE3 LYS B 567 55.200 22.383 11.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 567 52.637 22.848 10.706 1.00 0.00 H new ATOM 0 HZ2 LYS B 567 53.281 21.306 11.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 567 52.429 22.123 12.227 1.00 0.00 H new ATOM 1952 N PHE B 568 59.504 21.979 12.802 1.00 0.00 N ATOM 1953 CA PHE B 568 60.980 21.812 12.874 1.00 0.00 C ATOM 1954 C PHE B 568 61.639 22.470 11.672 1.00 0.00 C ATOM 1955 O PHE B 568 61.245 22.264 10.542 1.00 0.00 O ATOM 1956 CB PHE B 568 61.305 20.294 12.878 1.00 0.00 C ATOM 1957 CG PHE B 568 61.669 19.831 14.276 1.00 0.00 C ATOM 1958 CD1 PHE B 568 62.927 20.139 14.807 1.00 0.00 C ATOM 1959 CD2 PHE B 568 60.749 19.097 15.036 1.00 0.00 C ATOM 1960 CE1 PHE B 568 63.265 19.715 16.097 1.00 0.00 C ATOM 1961 CE2 PHE B 568 61.088 18.673 16.327 1.00 0.00 C ATOM 1962 CZ PHE B 568 62.346 18.981 16.857 1.00 0.00 C ATOM 0 H PHE B 568 59.123 22.198 11.882 1.00 0.00 H new ATOM 0 HA PHE B 568 61.359 22.282 13.781 1.00 0.00 H new ATOM 0 HB2 PHE B 568 60.445 19.731 12.515 1.00 0.00 H new ATOM 0 HB3 PHE B 568 62.130 20.091 12.195 1.00 0.00 H new ATOM 0 HD1 PHE B 568 63.637 20.704 14.221 1.00 0.00 H new ATOM 0 HD2 PHE B 568 59.779 18.858 14.626 1.00 0.00 H new ATOM 0 HE1 PHE B 568 64.235 19.954 16.507 1.00 0.00 H new ATOM 0 HE2 PHE B 568 60.378 18.108 16.914 1.00 0.00 H new ATOM 0 HZ PHE B 568 62.608 18.653 17.852 1.00 0.00 H new ATOM 1972 N HIS B 569 62.680 23.218 11.902 1.00 0.00 N ATOM 1973 CA HIS B 569 63.397 23.829 10.759 1.00 0.00 C ATOM 1974 C HIS B 569 63.780 22.655 9.839 1.00 0.00 C ATOM 1975 O HIS B 569 64.527 21.793 10.258 1.00 0.00 O ATOM 1976 CB HIS B 569 64.679 24.503 11.263 1.00 0.00 C ATOM 1977 CG HIS B 569 64.427 25.931 11.662 1.00 0.00 C ATOM 1978 ND1 HIS B 569 64.675 26.371 12.948 1.00 0.00 N ATOM 1979 CD2 HIS B 569 64.006 27.030 10.958 1.00 0.00 C ATOM 1980 CE1 HIS B 569 64.413 27.689 12.983 1.00 0.00 C ATOM 1981 NE2 HIS B 569 63.998 28.143 11.795 1.00 0.00 N ATOM 0 H HIS B 569 63.060 23.430 12.825 1.00 0.00 H new ATOM 0 HA HIS B 569 62.788 24.575 10.249 1.00 0.00 H new ATOM 0 HB2 HIS B 569 65.072 23.949 12.116 1.00 0.00 H new ATOM 0 HB3 HIS B 569 65.440 24.470 10.483 1.00 0.00 H new ATOM 0 HD2 HIS B 569 63.724 27.032 9.915 1.00 0.00 H new ATOM 0 HE1 HIS B 569 64.524 28.306 13.863 1.00 0.00 H new ATOM 0 HE2 HIS B 569 63.733 29.098 11.554 1.00 0.00 H new ATOM 1988 N PRO B 570 63.276 22.569 8.632 1.00 0.00 N ATOM 1989 CA PRO B 570 63.624 21.420 7.759 1.00 0.00 C ATOM 1990 C PRO B 570 65.130 21.115 7.776 1.00 0.00 C ATOM 1991 O PRO B 570 65.571 20.104 7.271 1.00 0.00 O ATOM 1992 CB PRO B 570 63.137 21.913 6.392 1.00 0.00 C ATOM 1993 CG PRO B 570 62.059 22.971 6.662 1.00 0.00 C ATOM 1994 CD PRO B 570 62.345 23.571 8.044 1.00 0.00 C ATOM 0 HA PRO B 570 63.174 20.476 8.067 1.00 0.00 H new ATOM 0 HB2 PRO B 570 63.961 22.338 5.818 1.00 0.00 H new ATOM 0 HB3 PRO B 570 62.732 21.089 5.805 1.00 0.00 H new ATOM 0 HG2 PRO B 570 62.080 23.745 5.895 1.00 0.00 H new ATOM 0 HG3 PRO B 570 61.066 22.523 6.636 1.00 0.00 H new ATOM 0 HD2 PRO B 570 62.801 24.559 7.973 1.00 0.00 H new ATOM 0 HD3 PRO B 570 61.437 23.681 8.637 1.00 0.00 H new ATOM 2002 N GLU B 571 65.919 21.981 8.369 1.00 0.00 N ATOM 2003 CA GLU B 571 67.392 21.750 8.435 1.00 0.00 C ATOM 2004 C GLU B 571 67.781 21.239 9.830 1.00 0.00 C ATOM 2005 O GLU B 571 68.440 20.236 9.986 1.00 0.00 O ATOM 2006 CB GLU B 571 68.106 23.082 8.183 1.00 0.00 C ATOM 2007 CG GLU B 571 67.331 23.864 7.131 1.00 0.00 C ATOM 2008 CD GLU B 571 68.181 25.031 6.625 1.00 0.00 C ATOM 2009 OE1 GLU B 571 68.333 25.990 7.363 1.00 0.00 O ATOM 2010 OE2 GLU B 571 68.665 24.945 5.508 1.00 0.00 O ATOM 0 H GLU B 571 65.600 22.843 8.812 1.00 0.00 H new ATOM 0 HA GLU B 571 67.678 21.011 7.687 1.00 0.00 H new ATOM 0 HB2 GLU B 571 68.171 23.656 9.107 1.00 0.00 H new ATOM 0 HB3 GLU B 571 69.127 22.905 7.845 1.00 0.00 H new ATOM 0 HG2 GLU B 571 67.064 23.210 6.301 1.00 0.00 H new ATOM 0 HG3 GLU B 571 66.399 24.238 7.555 1.00 0.00 H new ATOM 2017 N HIS B 572 67.381 21.936 10.846 1.00 0.00 N ATOM 2018 CA HIS B 572 67.743 21.500 12.230 1.00 0.00 C ATOM 2019 C HIS B 572 67.251 20.074 12.474 1.00 0.00 C ATOM 2020 O HIS B 572 67.529 19.483 13.499 1.00 0.00 O ATOM 2021 CB HIS B 572 67.141 22.475 13.248 1.00 0.00 C ATOM 2022 CG HIS B 572 67.522 23.870 12.817 1.00 0.00 C ATOM 2023 ND1 HIS B 572 66.863 25.037 13.228 1.00 0.00 N ATOM 2024 CD2 HIS B 572 68.524 24.295 11.977 1.00 0.00 C ATOM 2025 CE1 HIS B 572 67.484 26.073 12.631 1.00 0.00 C ATOM 2026 NE2 HIS B 572 68.497 25.678 11.863 1.00 0.00 N ATOM 0 H HIS B 572 66.821 22.787 10.788 1.00 0.00 H new ATOM 0 HA HIS B 572 68.827 21.506 12.345 1.00 0.00 H new ATOM 0 HB2 HIS B 572 66.057 22.368 13.287 1.00 0.00 H new ATOM 0 HB3 HIS B 572 67.518 22.266 14.249 1.00 0.00 H new ATOM 0 HD2 HIS B 572 69.230 23.647 11.478 1.00 0.00 H new ATOM 0 HE1 HIS B 572 67.193 27.105 12.761 1.00 0.00 H new ATOM 0 HE2 HIS B 572 69.120 26.266 11.309 1.00 0.00 H new ATOM 2033 N PHE B 573 66.552 19.505 11.523 1.00 0.00 N ATOM 2034 CA PHE B 573 66.066 18.096 11.664 1.00 0.00 C ATOM 2035 C PHE B 573 66.530 17.316 10.432 1.00 0.00 C ATOM 2036 O PHE B 573 65.745 16.737 9.708 1.00 0.00 O ATOM 2037 CB PHE B 573 64.538 18.082 11.747 1.00 0.00 C ATOM 2038 CG PHE B 573 64.069 16.787 12.372 1.00 0.00 C ATOM 2039 CD1 PHE B 573 63.680 15.716 11.559 1.00 0.00 C ATOM 2040 CD2 PHE B 573 64.027 16.659 13.766 1.00 0.00 C ATOM 2041 CE1 PHE B 573 63.247 14.518 12.139 1.00 0.00 C ATOM 2042 CE2 PHE B 573 63.595 15.460 14.346 1.00 0.00 C ATOM 2043 CZ PHE B 573 63.205 14.390 13.533 1.00 0.00 C ATOM 0 H PHE B 573 66.295 19.960 10.647 1.00 0.00 H new ATOM 0 HA PHE B 573 66.464 17.642 12.572 1.00 0.00 H new ATOM 0 HB2 PHE B 573 64.189 18.929 12.338 1.00 0.00 H new ATOM 0 HB3 PHE B 573 64.110 18.191 10.751 1.00 0.00 H new ATOM 0 HD1 PHE B 573 63.714 15.814 10.484 1.00 0.00 H new ATOM 0 HD2 PHE B 573 64.328 17.485 14.394 1.00 0.00 H new ATOM 0 HE1 PHE B 573 62.945 13.692 11.512 1.00 0.00 H new ATOM 0 HE2 PHE B 573 63.563 15.361 15.421 1.00 0.00 H new ATOM 0 HZ PHE B 573 62.872 13.465 13.981 1.00 0.00 H new ATOM 2053 N VAL B 574 67.810 17.330 10.187 1.00 0.00 N ATOM 2054 CA VAL B 574 68.379 16.633 8.997 1.00 0.00 C ATOM 2055 C VAL B 574 68.847 15.215 9.366 1.00 0.00 C ATOM 2056 O VAL B 574 68.789 14.800 10.506 1.00 0.00 O ATOM 2057 CB VAL B 574 69.597 17.410 8.494 1.00 0.00 C ATOM 2058 CG1 VAL B 574 69.156 18.756 7.873 1.00 0.00 C ATOM 2059 CG2 VAL B 574 70.557 17.645 9.671 1.00 0.00 C ATOM 0 H VAL B 574 68.499 17.803 10.771 1.00 0.00 H new ATOM 0 HA VAL B 574 67.604 16.576 8.233 1.00 0.00 H new ATOM 0 HB VAL B 574 70.107 16.835 7.721 1.00 0.00 H new ATOM 0 HG11 VAL B 574 70.033 19.298 7.519 1.00 0.00 H new ATOM 0 HG12 VAL B 574 68.484 18.568 7.036 1.00 0.00 H new ATOM 0 HG13 VAL B 574 68.640 19.352 8.626 1.00 0.00 H new ATOM 0 HG21 VAL B 574 71.430 18.198 9.324 1.00 0.00 H new ATOM 0 HG22 VAL B 574 70.049 18.218 10.446 1.00 0.00 H new ATOM 0 HG23 VAL B 574 70.875 16.685 10.079 1.00 0.00 H new ATOM 2069 N CYS B 575 69.324 14.484 8.391 1.00 0.00 N ATOM 2070 CA CYS B 575 69.825 13.093 8.639 1.00 0.00 C ATOM 2071 C CYS B 575 71.218 13.198 9.218 1.00 0.00 C ATOM 2072 O CYS B 575 71.970 14.071 8.829 1.00 0.00 O ATOM 2073 CB CYS B 575 69.857 12.324 7.297 1.00 0.00 C ATOM 2074 SG CYS B 575 71.468 11.526 6.991 1.00 0.00 S ATOM 0 H CYS B 575 69.389 14.793 7.421 1.00 0.00 H new ATOM 0 HA CYS B 575 69.176 12.559 9.333 1.00 0.00 H new ATOM 0 HB2 CYS B 575 69.073 11.566 7.297 1.00 0.00 H new ATOM 0 HB3 CYS B 575 69.635 13.012 6.482 1.00 0.00 H new ATOM 2079 N ALA B 576 71.611 12.323 10.118 1.00 0.00 N ATOM 2080 CA ALA B 576 73.008 12.467 10.626 1.00 0.00 C ATOM 2081 C ALA B 576 73.930 11.536 9.826 1.00 0.00 C ATOM 2082 O ALA B 576 74.476 10.580 10.330 1.00 0.00 O ATOM 2083 CB ALA B 576 73.023 12.056 12.114 1.00 0.00 C ATOM 0 H ALA B 576 71.058 11.557 10.503 1.00 0.00 H new ATOM 0 HA ALA B 576 73.353 13.495 10.517 1.00 0.00 H new ATOM 0 HB1 ALA B 576 74.035 12.153 12.508 1.00 0.00 H new ATOM 0 HB2 ALA B 576 72.351 12.703 12.677 1.00 0.00 H new ATOM 0 HB3 ALA B 576 72.694 11.021 12.209 1.00 0.00 H new ATOM 2089 N PHE B 577 74.197 11.933 8.615 1.00 0.00 N ATOM 2090 CA PHE B 577 75.183 11.259 7.719 1.00 0.00 C ATOM 2091 C PHE B 577 75.630 12.383 6.802 1.00 0.00 C ATOM 2092 O PHE B 577 76.794 12.654 6.583 1.00 0.00 O ATOM 2093 CB PHE B 577 74.568 10.055 6.942 1.00 0.00 C ATOM 2094 CG PHE B 577 75.508 8.854 7.032 1.00 0.00 C ATOM 2095 CD1 PHE B 577 76.022 8.241 5.879 1.00 0.00 C ATOM 2096 CD2 PHE B 577 75.886 8.376 8.287 1.00 0.00 C ATOM 2097 CE1 PHE B 577 76.908 7.163 5.992 1.00 0.00 C ATOM 2098 CE2 PHE B 577 76.765 7.297 8.401 1.00 0.00 C ATOM 2099 CZ PHE B 577 77.279 6.691 7.254 1.00 0.00 C ATOM 0 H PHE B 577 73.747 12.742 8.186 1.00 0.00 H new ATOM 0 HA PHE B 577 76.009 10.803 8.265 1.00 0.00 H new ATOM 0 HB2 PHE B 577 73.594 9.799 7.359 1.00 0.00 H new ATOM 0 HB3 PHE B 577 74.407 10.326 5.899 1.00 0.00 H new ATOM 0 HD1 PHE B 577 75.734 8.602 4.903 1.00 0.00 H new ATOM 0 HD2 PHE B 577 75.495 8.845 9.178 1.00 0.00 H new ATOM 0 HE1 PHE B 577 77.305 6.696 5.103 1.00 0.00 H new ATOM 0 HE2 PHE B 577 77.047 6.931 9.377 1.00 0.00 H new ATOM 0 HZ PHE B 577 77.962 5.859 7.341 1.00 0.00 H new ATOM 2109 N CYS B 578 74.620 13.065 6.324 1.00 0.00 N ATOM 2110 CA CYS B 578 74.769 14.251 5.453 1.00 0.00 C ATOM 2111 C CYS B 578 73.825 15.299 6.047 1.00 0.00 C ATOM 2112 O CYS B 578 72.693 15.446 5.645 1.00 0.00 O ATOM 2113 CB CYS B 578 74.357 13.907 4.017 1.00 0.00 C ATOM 2114 SG CYS B 578 72.614 13.407 3.967 1.00 0.00 S ATOM 0 H CYS B 578 73.648 12.825 6.520 1.00 0.00 H new ATOM 0 HA CYS B 578 75.798 14.607 5.411 1.00 0.00 H new ATOM 0 HB2 CYS B 578 74.514 14.770 3.370 1.00 0.00 H new ATOM 0 HB3 CYS B 578 74.985 13.102 3.634 1.00 0.00 H new ATOM 2119 N LEU B 579 74.271 15.964 7.065 1.00 0.00 N ATOM 2120 CA LEU B 579 73.417 16.956 7.779 1.00 0.00 C ATOM 2121 C LEU B 579 72.763 17.995 6.843 1.00 0.00 C ATOM 2122 O LEU B 579 72.314 19.018 7.320 1.00 0.00 O ATOM 2123 CB LEU B 579 74.251 17.692 8.850 1.00 0.00 C ATOM 2124 CG LEU B 579 75.662 18.076 8.341 1.00 0.00 C ATOM 2125 CD1 LEU B 579 76.629 16.863 8.362 1.00 0.00 C ATOM 2126 CD2 LEU B 579 75.582 18.673 6.924 1.00 0.00 C ATOM 0 H LEU B 579 75.212 15.864 7.445 1.00 0.00 H new ATOM 0 HA LEU B 579 72.608 16.388 8.238 1.00 0.00 H new ATOM 0 HB2 LEU B 579 73.723 18.593 9.161 1.00 0.00 H new ATOM 0 HB3 LEU B 579 74.346 17.058 9.731 1.00 0.00 H new ATOM 0 HG LEU B 579 76.061 18.830 9.020 1.00 0.00 H new ATOM 0 HD11 LEU B 579 77.609 17.172 7.998 1.00 0.00 H new ATOM 0 HD12 LEU B 579 76.722 16.490 9.382 1.00 0.00 H new ATOM 0 HD13 LEU B 579 76.236 16.074 7.721 1.00 0.00 H new ATOM 0 HD21 LEU B 579 76.583 18.937 6.583 1.00 0.00 H new ATOM 0 HD22 LEU B 579 75.149 17.939 6.244 1.00 0.00 H new ATOM 0 HD23 LEU B 579 74.957 19.566 6.940 1.00 0.00 H new ATOM 2138 N LYS B 580 72.710 17.809 5.534 1.00 0.00 N ATOM 2139 CA LYS B 580 72.086 18.900 4.705 1.00 0.00 C ATOM 2140 C LYS B 580 70.558 18.749 4.577 1.00 0.00 C ATOM 2141 O LYS B 580 69.856 19.741 4.598 1.00 0.00 O ATOM 2142 CB LYS B 580 72.753 18.917 3.296 1.00 0.00 C ATOM 2143 CG LYS B 580 72.010 18.048 2.251 1.00 0.00 C ATOM 2144 CD LYS B 580 72.165 16.564 2.596 1.00 0.00 C ATOM 2145 CE LYS B 580 71.046 15.760 1.934 1.00 0.00 C ATOM 2146 NZ LYS B 580 70.795 16.291 0.564 1.00 0.00 N ATOM 0 H LYS B 580 73.053 16.993 5.027 1.00 0.00 H new ATOM 0 HA LYS B 580 72.260 19.848 5.214 1.00 0.00 H new ATOM 0 HB2 LYS B 580 72.798 19.945 2.936 1.00 0.00 H new ATOM 0 HB3 LYS B 580 73.781 18.565 3.385 1.00 0.00 H new ATOM 0 HG2 LYS B 580 70.954 18.316 2.229 1.00 0.00 H new ATOM 0 HG3 LYS B 580 72.409 18.242 1.255 1.00 0.00 H new ATOM 0 HD2 LYS B 580 73.135 16.202 2.257 1.00 0.00 H new ATOM 0 HD3 LYS B 580 72.133 16.427 3.677 1.00 0.00 H new ATOM 0 HE2 LYS B 580 71.322 14.707 1.882 1.00 0.00 H new ATOM 0 HE3 LYS B 580 70.137 15.822 2.532 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 70.318 15.565 -0.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 70.192 17.136 0.624 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 71.700 16.543 0.118 1.00 0.00 H new ATOM 2160 N GLN B 581 69.997 17.561 4.469 1.00 0.00 N ATOM 2161 CA GLN B 581 68.497 17.510 4.377 1.00 0.00 C ATOM 2162 C GLN B 581 67.874 16.155 4.723 1.00 0.00 C ATOM 2163 O GLN B 581 68.332 15.107 4.312 1.00 0.00 O ATOM 2164 CB GLN B 581 68.035 17.953 2.995 1.00 0.00 C ATOM 2165 CG GLN B 581 66.529 18.245 3.024 1.00 0.00 C ATOM 2166 CD GLN B 581 66.266 19.564 3.748 1.00 0.00 C ATOM 2167 OE1 GLN B 581 66.039 20.579 3.121 1.00 0.00 O ATOM 2168 NE2 GLN B 581 66.287 19.594 5.050 1.00 0.00 N ATOM 0 H GLN B 581 70.485 16.665 4.441 1.00 0.00 H new ATOM 0 HA GLN B 581 68.143 18.201 5.142 1.00 0.00 H new ATOM 0 HB2 GLN B 581 68.582 18.843 2.686 1.00 0.00 H new ATOM 0 HB3 GLN B 581 68.251 17.176 2.262 1.00 0.00 H new ATOM 0 HG2 GLN B 581 66.140 18.295 2.007 1.00 0.00 H new ATOM 0 HG3 GLN B 581 66.003 17.434 3.527 1.00 0.00 H new ATOM 0 HE21 GLN B 581 66.478 18.742 5.577 1.00 0.00 H new ATOM 0 HE22 GLN B 581 66.113 20.470 5.543 1.00 0.00 H new ATOM 2177 N LEU B 582 66.768 16.207 5.420 1.00 0.00 N ATOM 2178 CA LEU B 582 65.989 14.979 5.759 1.00 0.00 C ATOM 2179 C LEU B 582 64.497 15.297 5.610 1.00 0.00 C ATOM 2180 O LEU B 582 64.109 16.438 5.463 1.00 0.00 O ATOM 2181 CB LEU B 582 66.286 14.586 7.194 1.00 0.00 C ATOM 2182 CG LEU B 582 65.799 13.161 7.515 1.00 0.00 C ATOM 2183 CD1 LEU B 582 66.483 12.133 6.587 1.00 0.00 C ATOM 2184 CD2 LEU B 582 66.122 12.853 8.989 1.00 0.00 C ATOM 0 H LEU B 582 66.363 17.072 5.777 1.00 0.00 H new ATOM 0 HA LEU B 582 66.262 14.158 5.097 1.00 0.00 H new ATOM 0 HB2 LEU B 582 67.359 14.651 7.373 1.00 0.00 H new ATOM 0 HB3 LEU B 582 65.807 15.294 7.870 1.00 0.00 H new ATOM 0 HG LEU B 582 64.723 13.094 7.351 1.00 0.00 H new ATOM 0 HD11 LEU B 582 66.127 11.132 6.828 1.00 0.00 H new ATOM 0 HD12 LEU B 582 66.243 12.363 5.549 1.00 0.00 H new ATOM 0 HD13 LEU B 582 67.563 12.178 6.728 1.00 0.00 H new ATOM 0 HD21 LEU B 582 65.783 11.846 9.233 1.00 0.00 H new ATOM 0 HD22 LEU B 582 67.198 12.922 9.148 1.00 0.00 H new ATOM 0 HD23 LEU B 582 65.614 13.572 9.631 1.00 0.00 H new ATOM 2196 N ASN B 583 63.657 14.298 5.654 1.00 0.00 N ATOM 2197 CA ASN B 583 62.186 14.535 5.522 1.00 0.00 C ATOM 2198 C ASN B 583 61.442 13.526 6.398 1.00 0.00 C ATOM 2199 O ASN B 583 61.692 12.339 6.345 1.00 0.00 O ATOM 2200 CB ASN B 583 61.764 14.352 4.057 1.00 0.00 C ATOM 2201 CG ASN B 583 62.075 15.615 3.261 1.00 0.00 C ATOM 2202 OD1 ASN B 583 62.435 16.631 3.819 1.00 0.00 O ATOM 2203 ND2 ASN B 583 61.943 15.591 1.968 1.00 0.00 N ATOM 0 H ASN B 583 63.926 13.322 5.776 1.00 0.00 H new ATOM 0 HA ASN B 583 61.946 15.550 5.839 1.00 0.00 H new ATOM 0 HB2 ASN B 583 62.288 13.501 3.623 1.00 0.00 H new ATOM 0 HB3 ASN B 583 60.698 14.131 4.002 1.00 0.00 H new ATOM 0 HD21 ASN B 583 62.142 16.428 1.419 1.00 0.00 H new ATOM 0 HD22 ASN B 583 61.640 14.736 1.502 1.00 0.00 H new ATOM 2210 N LYS B 584 60.525 13.992 7.197 1.00 0.00 N ATOM 2211 CA LYS B 584 59.756 13.073 8.077 1.00 0.00 C ATOM 2212 C LYS B 584 59.160 11.944 7.241 1.00 0.00 C ATOM 2213 O LYS B 584 58.812 10.895 7.745 1.00 0.00 O ATOM 2214 CB LYS B 584 58.615 13.845 8.727 1.00 0.00 C ATOM 2215 CG LYS B 584 57.868 14.613 7.627 1.00 0.00 C ATOM 2216 CD LYS B 584 56.685 15.403 8.205 1.00 0.00 C ATOM 2217 CE LYS B 584 55.800 14.503 9.072 1.00 0.00 C ATOM 2218 NZ LYS B 584 54.444 15.107 9.191 1.00 0.00 N ATOM 0 H LYS B 584 60.274 14.977 7.278 1.00 0.00 H new ATOM 0 HA LYS B 584 60.420 12.662 8.838 1.00 0.00 H new ATOM 0 HB2 LYS B 584 57.938 13.162 9.241 1.00 0.00 H new ATOM 0 HB3 LYS B 584 59.002 14.535 9.477 1.00 0.00 H new ATOM 0 HG2 LYS B 584 58.555 15.296 7.127 1.00 0.00 H new ATOM 0 HG3 LYS B 584 57.508 13.914 6.873 1.00 0.00 H new ATOM 0 HD2 LYS B 584 57.056 16.238 8.800 1.00 0.00 H new ATOM 0 HD3 LYS B 584 56.094 15.828 7.393 1.00 0.00 H new ATOM 0 HE2 LYS B 584 55.730 13.509 8.630 1.00 0.00 H new ATOM 0 HE3 LYS B 584 56.244 14.382 10.060 1.00 0.00 H new ATOM 0 HZ1 LYS B 584 54.045 14.883 10.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 584 54.513 16.139 9.082 1.00 0.00 H new ATOM 0 HZ3 LYS B 584 53.826 14.721 8.449 1.00 0.00 H new ATOM 2232 N GLY B 585 59.024 12.162 5.967 1.00 0.00 N ATOM 2233 CA GLY B 585 58.438 11.119 5.084 1.00 0.00 C ATOM 2234 C GLY B 585 59.542 10.189 4.612 1.00 0.00 C ATOM 2235 O GLY B 585 59.296 9.100 4.131 1.00 0.00 O ATOM 0 H GLY B 585 59.295 13.024 5.495 1.00 0.00 H new ATOM 0 HA2 GLY B 585 57.676 10.555 5.622 1.00 0.00 H new ATOM 0 HA3 GLY B 585 57.946 11.583 4.229 1.00 0.00 H new ATOM 2239 N THR B 586 60.760 10.618 4.753 1.00 0.00 N ATOM 2240 CA THR B 586 61.921 9.786 4.326 1.00 0.00 C ATOM 2241 C THR B 586 62.979 9.817 5.417 1.00 0.00 C ATOM 2242 O THR B 586 64.154 9.640 5.167 1.00 0.00 O ATOM 2243 CB THR B 586 62.498 10.353 3.032 1.00 0.00 C ATOM 2244 OG1 THR B 586 63.364 11.438 3.338 1.00 0.00 O ATOM 2245 CG2 THR B 586 61.348 10.843 2.152 1.00 0.00 C ATOM 0 H THR B 586 61.008 11.523 5.152 1.00 0.00 H new ATOM 0 HA THR B 586 61.601 8.758 4.157 1.00 0.00 H new ATOM 0 HB THR B 586 63.061 9.583 2.505 1.00 0.00 H new ATOM 0 HG1 THR B 586 63.737 11.803 2.508 1.00 0.00 H new ATOM 0 HG21 THR B 586 61.748 11.251 1.224 1.00 0.00 H new ATOM 0 HG22 THR B 586 60.683 10.010 1.925 1.00 0.00 H new ATOM 0 HG23 THR B 586 60.792 11.618 2.679 1.00 0.00 H new ATOM 2253 N PHE B 587 62.568 10.039 6.636 1.00 0.00 N ATOM 2254 CA PHE B 587 63.559 10.077 7.754 1.00 0.00 C ATOM 2255 C PHE B 587 63.751 8.666 8.314 1.00 0.00 C ATOM 2256 O PHE B 587 62.889 8.095 8.951 1.00 0.00 O ATOM 2257 CB PHE B 587 63.091 11.040 8.863 1.00 0.00 C ATOM 2258 CG PHE B 587 62.054 10.397 9.779 1.00 0.00 C ATOM 2259 CD1 PHE B 587 62.229 10.440 11.170 1.00 0.00 C ATOM 2260 CD2 PHE B 587 60.918 9.768 9.244 1.00 0.00 C ATOM 2261 CE1 PHE B 587 61.277 9.860 12.018 1.00 0.00 C ATOM 2262 CE2 PHE B 587 59.969 9.187 10.094 1.00 0.00 C ATOM 2263 CZ PHE B 587 60.148 9.234 11.480 1.00 0.00 C ATOM 0 H PHE B 587 61.597 10.195 6.907 1.00 0.00 H new ATOM 0 HA PHE B 587 64.512 10.443 7.372 1.00 0.00 H new ATOM 0 HB2 PHE B 587 63.950 11.357 9.454 1.00 0.00 H new ATOM 0 HB3 PHE B 587 62.668 11.937 8.410 1.00 0.00 H new ATOM 0 HD1 PHE B 587 63.100 10.922 11.588 1.00 0.00 H new ATOM 0 HD2 PHE B 587 60.776 9.732 8.174 1.00 0.00 H new ATOM 0 HE1 PHE B 587 61.415 9.896 13.089 1.00 0.00 H new ATOM 0 HE2 PHE B 587 59.098 8.702 9.679 1.00 0.00 H new ATOM 0 HZ PHE B 587 59.415 8.787 12.135 1.00 0.00 H new ATOM 2273 N LYS B 588 64.898 8.107 8.066 1.00 0.00 N ATOM 2274 CA LYS B 588 65.212 6.737 8.556 1.00 0.00 C ATOM 2275 C LYS B 588 66.059 6.892 9.819 1.00 0.00 C ATOM 2276 O LYS B 588 66.584 7.950 10.090 1.00 0.00 O ATOM 2277 CB LYS B 588 65.976 5.995 7.429 1.00 0.00 C ATOM 2278 CG LYS B 588 65.418 4.576 7.137 1.00 0.00 C ATOM 2279 CD LYS B 588 63.876 4.506 6.972 1.00 0.00 C ATOM 2280 CE LYS B 588 63.296 5.757 6.295 1.00 0.00 C ATOM 2281 NZ LYS B 588 62.070 5.375 5.538 1.00 0.00 N ATOM 0 H LYS B 588 65.647 8.549 7.534 1.00 0.00 H new ATOM 0 HA LYS B 588 64.321 6.158 8.801 1.00 0.00 H new ATOM 0 HB2 LYS B 588 65.931 6.590 6.517 1.00 0.00 H new ATOM 0 HB3 LYS B 588 67.027 5.914 7.705 1.00 0.00 H new ATOM 0 HG2 LYS B 588 65.885 4.197 6.228 1.00 0.00 H new ATOM 0 HG3 LYS B 588 65.713 3.910 7.948 1.00 0.00 H new ATOM 0 HD2 LYS B 588 63.617 3.626 6.383 1.00 0.00 H new ATOM 0 HD3 LYS B 588 63.415 4.381 7.952 1.00 0.00 H new ATOM 0 HE2 LYS B 588 63.056 6.513 7.043 1.00 0.00 H new ATOM 0 HE3 LYS B 588 64.032 6.196 5.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 588 61.671 6.217 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 588 62.314 4.667 4.816 1.00 0.00 H new ATOM 0 HZ3 LYS B 588 61.369 4.974 6.193 1.00 0.00 H new ATOM 2295 N GLU B 589 66.168 5.870 10.615 1.00 0.00 N ATOM 2296 CA GLU B 589 66.957 6.005 11.874 1.00 0.00 C ATOM 2297 C GLU B 589 67.507 4.656 12.322 1.00 0.00 C ATOM 2298 O GLU B 589 66.987 3.602 12.012 1.00 0.00 O ATOM 2299 CB GLU B 589 66.055 6.601 12.974 1.00 0.00 C ATOM 2300 CG GLU B 589 66.608 6.298 14.377 1.00 0.00 C ATOM 2301 CD GLU B 589 65.885 7.170 15.405 1.00 0.00 C ATOM 2302 OE1 GLU B 589 65.214 6.613 16.259 1.00 0.00 O ATOM 2303 OE2 GLU B 589 66.017 8.380 15.323 1.00 0.00 O ATOM 0 H GLU B 589 65.751 4.953 10.454 1.00 0.00 H new ATOM 0 HA GLU B 589 67.803 6.667 11.691 1.00 0.00 H new ATOM 0 HB2 GLU B 589 65.976 7.680 12.837 1.00 0.00 H new ATOM 0 HB3 GLU B 589 65.048 6.193 12.882 1.00 0.00 H new ATOM 0 HG2 GLU B 589 66.469 5.244 14.615 1.00 0.00 H new ATOM 0 HG3 GLU B 589 67.680 6.493 14.408 1.00 0.00 H new ATOM 2310 N GLN B 590 68.546 4.720 13.088 1.00 0.00 N ATOM 2311 CA GLN B 590 69.181 3.511 13.645 1.00 0.00 C ATOM 2312 C GLN B 590 69.926 3.966 14.895 1.00 0.00 C ATOM 2313 O GLN B 590 70.525 5.022 14.914 1.00 0.00 O ATOM 2314 CB GLN B 590 70.173 2.907 12.613 1.00 0.00 C ATOM 2315 CG GLN B 590 70.084 1.368 12.580 1.00 0.00 C ATOM 2316 CD GLN B 590 70.692 0.843 11.277 1.00 0.00 C ATOM 2317 OE1 GLN B 590 71.319 1.582 10.545 1.00 0.00 O ATOM 2318 NE2 GLN B 590 70.532 -0.412 10.956 1.00 0.00 N ATOM 0 H GLN B 590 68.997 5.593 13.360 1.00 0.00 H new ATOM 0 HA GLN B 590 68.446 2.741 13.879 1.00 0.00 H new ATOM 0 HB2 GLN B 590 69.957 3.307 11.622 1.00 0.00 H new ATOM 0 HB3 GLN B 590 71.190 3.209 12.864 1.00 0.00 H new ATOM 0 HG2 GLN B 590 70.612 0.945 13.435 1.00 0.00 H new ATOM 0 HG3 GLN B 590 69.044 1.053 12.660 1.00 0.00 H new ATOM 0 HE21 GLN B 590 70.005 -1.033 11.571 1.00 0.00 H new ATOM 0 HE22 GLN B 590 70.934 -0.772 10.090 1.00 0.00 H new ATOM 2327 N ASN B 591 69.921 3.187 15.929 1.00 0.00 N ATOM 2328 CA ASN B 591 70.660 3.595 17.154 1.00 0.00 C ATOM 2329 C ASN B 591 70.228 5.019 17.559 1.00 0.00 C ATOM 2330 O ASN B 591 70.964 5.725 18.213 1.00 0.00 O ATOM 2331 CB ASN B 591 72.201 3.534 16.897 1.00 0.00 C ATOM 2332 CG ASN B 591 72.494 3.110 15.455 1.00 0.00 C ATOM 2333 OD1 ASN B 591 73.330 3.687 14.789 1.00 0.00 O ATOM 2334 ND2 ASN B 591 71.826 2.116 14.956 1.00 0.00 N ATOM 0 H ASN B 591 69.441 2.289 15.985 1.00 0.00 H new ATOM 0 HA ASN B 591 70.426 2.910 17.969 1.00 0.00 H new ATOM 0 HB2 ASN B 591 72.646 4.510 17.092 1.00 0.00 H new ATOM 0 HB3 ASN B 591 72.662 2.830 17.589 1.00 0.00 H new ATOM 0 HD21 ASN B 591 72.001 1.814 13.998 1.00 0.00 H new ATOM 0 HD22 ASN B 591 71.126 1.637 15.522 1.00 0.00 H new ATOM 2341 N ASP B 592 69.028 5.424 17.187 1.00 0.00 N ATOM 2342 CA ASP B 592 68.505 6.786 17.559 1.00 0.00 C ATOM 2343 C ASP B 592 69.071 7.872 16.638 1.00 0.00 C ATOM 2344 O ASP B 592 68.676 9.017 16.711 1.00 0.00 O ATOM 2345 CB ASP B 592 68.885 7.127 19.006 1.00 0.00 C ATOM 2346 CG ASP B 592 68.811 5.870 19.878 1.00 0.00 C ATOM 2347 OD1 ASP B 592 67.840 5.143 19.754 1.00 0.00 O ATOM 2348 OD2 ASP B 592 69.728 5.658 20.655 1.00 0.00 O ATOM 0 H ASP B 592 68.382 4.860 16.635 1.00 0.00 H new ATOM 0 HA ASP B 592 67.421 6.756 17.452 1.00 0.00 H new ATOM 0 HB2 ASP B 592 69.892 7.543 19.038 1.00 0.00 H new ATOM 0 HB3 ASP B 592 68.213 7.891 19.397 1.00 0.00 H new ATOM 2353 N LYS B 593 70.000 7.536 15.801 1.00 0.00 N ATOM 2354 CA LYS B 593 70.608 8.548 14.904 1.00 0.00 C ATOM 2355 C LYS B 593 69.778 8.683 13.609 1.00 0.00 C ATOM 2356 O LYS B 593 69.707 7.745 12.840 1.00 0.00 O ATOM 2357 CB LYS B 593 72.000 8.038 14.547 1.00 0.00 C ATOM 2358 CG LYS B 593 72.909 7.988 15.803 1.00 0.00 C ATOM 2359 CD LYS B 593 74.282 8.591 15.480 1.00 0.00 C ATOM 2360 CE LYS B 593 75.300 8.200 16.558 1.00 0.00 C ATOM 2361 NZ LYS B 593 76.417 9.186 16.562 1.00 0.00 N ATOM 0 H LYS B 593 70.370 6.591 15.697 1.00 0.00 H new ATOM 0 HA LYS B 593 70.644 9.521 15.394 1.00 0.00 H new ATOM 0 HB2 LYS B 593 71.926 7.044 14.107 1.00 0.00 H new ATOM 0 HB3 LYS B 593 72.448 8.687 13.794 1.00 0.00 H new ATOM 0 HG2 LYS B 593 72.444 8.538 16.621 1.00 0.00 H new ATOM 0 HG3 LYS B 593 73.025 6.957 16.138 1.00 0.00 H new ATOM 0 HD2 LYS B 593 74.621 8.240 14.505 1.00 0.00 H new ATOM 0 HD3 LYS B 593 74.205 9.677 15.419 1.00 0.00 H new ATOM 0 HE2 LYS B 593 74.819 8.174 17.536 1.00 0.00 H new ATOM 0 HE3 LYS B 593 75.685 7.198 16.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 593 77.109 8.923 17.292 1.00 0.00 H new ATOM 0 HZ2 LYS B 593 76.880 9.189 15.631 1.00 0.00 H new ATOM 0 HZ3 LYS B 593 76.042 10.134 16.766 1.00 0.00 H new ATOM 2375 N PRO B 594 69.165 9.826 13.331 1.00 0.00 N ATOM 2376 CA PRO B 594 68.382 9.973 12.069 1.00 0.00 C ATOM 2377 C PRO B 594 69.209 9.602 10.835 1.00 0.00 C ATOM 2378 O PRO B 594 70.417 9.591 10.881 1.00 0.00 O ATOM 2379 CB PRO B 594 68.031 11.466 12.078 1.00 0.00 C ATOM 2380 CG PRO B 594 68.199 11.974 13.511 1.00 0.00 C ATOM 2381 CD PRO B 594 69.186 11.032 14.218 1.00 0.00 C ATOM 0 HA PRO B 594 67.514 9.316 12.022 1.00 0.00 H new ATOM 0 HB2 PRO B 594 68.682 12.016 11.398 1.00 0.00 H new ATOM 0 HB3 PRO B 594 67.008 11.621 11.735 1.00 0.00 H new ATOM 0 HG2 PRO B 594 68.575 12.997 13.514 1.00 0.00 H new ATOM 0 HG3 PRO B 594 67.240 11.985 14.029 1.00 0.00 H new ATOM 0 HD2 PRO B 594 70.183 11.467 14.290 1.00 0.00 H new ATOM 0 HD3 PRO B 594 68.867 10.796 15.233 1.00 0.00 H new ATOM 2389 N TYR B 595 68.563 9.312 9.738 1.00 0.00 N ATOM 2390 CA TYR B 595 69.314 8.940 8.496 1.00 0.00 C ATOM 2391 C TYR B 595 68.370 8.934 7.290 1.00 0.00 C ATOM 2392 O TYR B 595 67.306 8.350 7.343 1.00 0.00 O ATOM 2393 CB TYR B 595 69.839 7.497 8.595 1.00 0.00 C ATOM 2394 CG TYR B 595 70.857 7.308 9.702 1.00 0.00 C ATOM 2395 CD1 TYR B 595 72.053 8.033 9.696 1.00 0.00 C ATOM 2396 CD2 TYR B 595 70.618 6.370 10.717 1.00 0.00 C ATOM 2397 CE1 TYR B 595 73.001 7.821 10.705 1.00 0.00 C ATOM 2398 CE2 TYR B 595 71.566 6.169 11.722 1.00 0.00 C ATOM 2399 CZ TYR B 595 72.757 6.894 11.714 1.00 0.00 C ATOM 2400 OH TYR B 595 73.700 6.687 12.700 1.00 0.00 O ATOM 0 H TYR B 595 67.547 9.316 9.644 1.00 0.00 H new ATOM 0 HA TYR B 595 70.123 9.662 8.386 1.00 0.00 H new ATOM 0 HB2 TYR B 595 69.000 6.822 8.763 1.00 0.00 H new ATOM 0 HB3 TYR B 595 70.290 7.215 7.643 1.00 0.00 H new ATOM 0 HD1 TYR B 595 72.245 8.754 8.915 1.00 0.00 H new ATOM 0 HD2 TYR B 595 69.699 5.802 10.721 1.00 0.00 H new ATOM 0 HE1 TYR B 595 73.925 8.379 10.700 1.00 0.00 H new ATOM 0 HE2 TYR B 595 71.377 5.451 12.506 1.00 0.00 H new ATOM 0 HH TYR B 595 74.473 7.267 12.540 1.00 0.00 H new ATOM 2410 N CYS B 596 68.767 9.489 6.176 1.00 0.00 N ATOM 2411 CA CYS B 596 67.882 9.383 4.984 1.00 0.00 C ATOM 2412 C CYS B 596 67.851 7.905 4.645 1.00 0.00 C ATOM 2413 O CYS B 596 68.781 7.187 4.954 1.00 0.00 O ATOM 2414 CB CYS B 596 68.452 10.150 3.775 1.00 0.00 C ATOM 2415 SG CYS B 596 69.084 11.766 4.273 1.00 0.00 S ATOM 0 H CYS B 596 69.641 9.997 6.042 1.00 0.00 H new ATOM 0 HA CYS B 596 66.900 9.805 5.199 1.00 0.00 H new ATOM 0 HB2 CYS B 596 69.251 9.569 3.315 1.00 0.00 H new ATOM 0 HB3 CYS B 596 67.675 10.276 3.021 1.00 0.00 H new ATOM 2420 N GLN B 597 66.837 7.422 4.003 1.00 0.00 N ATOM 2421 CA GLN B 597 66.863 5.985 3.667 1.00 0.00 C ATOM 2422 C GLN B 597 68.088 5.783 2.775 1.00 0.00 C ATOM 2423 O GLN B 597 68.975 5.012 3.078 1.00 0.00 O ATOM 2424 CB GLN B 597 65.541 5.603 2.961 1.00 0.00 C ATOM 2425 CG GLN B 597 65.712 4.407 2.004 1.00 0.00 C ATOM 2426 CD GLN B 597 65.550 3.099 2.775 1.00 0.00 C ATOM 2427 OE1 GLN B 597 65.075 2.116 2.242 1.00 0.00 O ATOM 2428 NE2 GLN B 597 65.931 3.051 4.014 1.00 0.00 N ATOM 0 H GLN B 597 66.013 7.943 3.703 1.00 0.00 H new ATOM 0 HA GLN B 597 66.940 5.343 4.544 1.00 0.00 H new ATOM 0 HB2 GLN B 597 64.788 5.360 3.711 1.00 0.00 H new ATOM 0 HB3 GLN B 597 65.169 6.462 2.402 1.00 0.00 H new ATOM 0 HG2 GLN B 597 64.974 4.462 1.204 1.00 0.00 H new ATOM 0 HG3 GLN B 597 66.695 4.443 1.534 1.00 0.00 H new ATOM 0 HE21 GLN B 597 66.329 3.879 4.458 1.00 0.00 H new ATOM 0 HE22 GLN B 597 65.832 2.186 4.545 1.00 0.00 H new ATOM 2437 N ASN B 598 68.141 6.493 1.685 1.00 0.00 N ATOM 2438 CA ASN B 598 69.299 6.376 0.761 1.00 0.00 C ATOM 2439 C ASN B 598 70.595 6.413 1.571 1.00 0.00 C ATOM 2440 O ASN B 598 71.589 5.833 1.192 1.00 0.00 O ATOM 2441 CB ASN B 598 69.268 7.543 -0.238 1.00 0.00 C ATOM 2442 CG ASN B 598 67.823 7.935 -0.517 1.00 0.00 C ATOM 2443 OD1 ASN B 598 67.433 9.068 -0.319 1.00 0.00 O ATOM 2444 ND2 ASN B 598 67.013 7.035 -0.974 1.00 0.00 N ATOM 0 H ASN B 598 67.423 7.156 1.392 1.00 0.00 H new ATOM 0 HA ASN B 598 69.246 5.435 0.214 1.00 0.00 H new ATOM 0 HB2 ASN B 598 69.816 8.395 0.165 1.00 0.00 H new ATOM 0 HB3 ASN B 598 69.763 7.255 -1.165 1.00 0.00 H new ATOM 0 HD21 ASN B 598 66.041 7.276 -1.170 1.00 0.00 H new ATOM 0 HD22 ASN B 598 67.346 6.085 -1.138 1.00 0.00 H new ATOM 2451 N CYS B 599 70.582 7.083 2.690 1.00 0.00 N ATOM 2452 CA CYS B 599 71.802 7.148 3.531 1.00 0.00 C ATOM 2453 C CYS B 599 71.886 5.877 4.371 1.00 0.00 C ATOM 2454 O CYS B 599 72.821 5.121 4.259 1.00 0.00 O ATOM 2455 CB CYS B 599 71.726 8.369 4.456 1.00 0.00 C ATOM 2456 SG CYS B 599 72.225 9.848 3.548 1.00 0.00 S ATOM 0 H CYS B 599 69.775 7.588 3.056 1.00 0.00 H new ATOM 0 HA CYS B 599 72.685 7.235 2.897 1.00 0.00 H new ATOM 0 HB2 CYS B 599 70.711 8.488 4.835 1.00 0.00 H new ATOM 0 HB3 CYS B 599 72.374 8.224 5.320 1.00 0.00 H new ATOM 2461 N PHE B 600 70.907 5.648 5.210 1.00 0.00 N ATOM 2462 CA PHE B 600 70.904 4.437 6.082 1.00 0.00 C ATOM 2463 C PHE B 600 71.008 3.169 5.225 1.00 0.00 C ATOM 2464 O PHE B 600 71.838 2.315 5.463 1.00 0.00 O ATOM 2465 CB PHE B 600 69.596 4.446 6.914 1.00 0.00 C ATOM 2466 CG PHE B 600 69.032 3.049 7.101 1.00 0.00 C ATOM 2467 CD1 PHE B 600 68.209 2.494 6.115 1.00 0.00 C ATOM 2468 CD2 PHE B 600 69.329 2.317 8.256 1.00 0.00 C ATOM 2469 CE1 PHE B 600 67.682 1.209 6.281 1.00 0.00 C ATOM 2470 CE2 PHE B 600 68.802 1.029 8.422 1.00 0.00 C ATOM 2471 CZ PHE B 600 67.979 0.476 7.435 1.00 0.00 C ATOM 0 H PHE B 600 70.099 6.259 5.328 1.00 0.00 H new ATOM 0 HA PHE B 600 71.762 4.447 6.754 1.00 0.00 H new ATOM 0 HB2 PHE B 600 69.790 4.892 7.889 1.00 0.00 H new ATOM 0 HB3 PHE B 600 68.855 5.073 6.418 1.00 0.00 H new ATOM 0 HD1 PHE B 600 67.980 3.059 5.224 1.00 0.00 H new ATOM 0 HD2 PHE B 600 69.964 2.744 9.019 1.00 0.00 H new ATOM 0 HE1 PHE B 600 67.046 0.783 5.519 1.00 0.00 H new ATOM 0 HE2 PHE B 600 69.031 0.463 9.313 1.00 0.00 H new ATOM 0 HZ PHE B 600 67.573 -0.516 7.564 1.00 0.00 H new ATOM 2481 N LEU B 601 70.160 3.027 4.249 1.00 0.00 N ATOM 2482 CA LEU B 601 70.207 1.803 3.410 1.00 0.00 C ATOM 2483 C LEU B 601 71.644 1.585 2.922 1.00 0.00 C ATOM 2484 O LEU B 601 72.151 0.483 2.933 1.00 0.00 O ATOM 2485 CB LEU B 601 69.186 1.956 2.247 1.00 0.00 C ATOM 2486 CG LEU B 601 69.857 2.139 0.865 1.00 0.00 C ATOM 2487 CD1 LEU B 601 70.564 0.832 0.415 1.00 0.00 C ATOM 2488 CD2 LEU B 601 68.776 2.521 -0.158 1.00 0.00 C ATOM 0 H LEU B 601 69.439 3.703 3.997 1.00 0.00 H new ATOM 0 HA LEU B 601 69.924 0.917 3.979 1.00 0.00 H new ATOM 0 HB2 LEU B 601 68.544 1.076 2.218 1.00 0.00 H new ATOM 0 HB3 LEU B 601 68.543 2.813 2.447 1.00 0.00 H new ATOM 0 HG LEU B 601 70.610 2.924 0.934 1.00 0.00 H new ATOM 0 HD11 LEU B 601 71.028 0.986 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU B 601 71.329 0.563 1.143 1.00 0.00 H new ATOM 0 HD13 LEU B 601 69.832 0.028 0.345 1.00 0.00 H new ATOM 0 HD21 LEU B 601 69.234 2.654 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU B 601 68.029 1.729 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU B 601 68.298 3.451 0.148 1.00 0.00 H new ATOM 2500 N LYS B 602 72.301 2.624 2.496 1.00 0.00 N ATOM 2501 CA LYS B 602 73.700 2.466 2.009 1.00 0.00 C ATOM 2502 C LYS B 602 74.555 1.804 3.104 1.00 0.00 C ATOM 2503 O LYS B 602 75.607 1.263 2.838 1.00 0.00 O ATOM 2504 CB LYS B 602 74.277 3.869 1.657 1.00 0.00 C ATOM 2505 CG LYS B 602 75.024 3.866 0.303 1.00 0.00 C ATOM 2506 CD LYS B 602 76.496 3.499 0.513 1.00 0.00 C ATOM 2507 CE LYS B 602 77.089 2.927 -0.773 1.00 0.00 C ATOM 2508 NZ LYS B 602 78.572 3.056 -0.731 1.00 0.00 N ATOM 0 H LYS B 602 71.933 3.575 2.463 1.00 0.00 H new ATOM 0 HA LYS B 602 73.714 1.835 1.120 1.00 0.00 H new ATOM 0 HB2 LYS B 602 73.466 4.596 1.622 1.00 0.00 H new ATOM 0 HB3 LYS B 602 74.958 4.189 2.446 1.00 0.00 H new ATOM 0 HG2 LYS B 602 74.557 3.153 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS B 602 74.949 4.848 -0.164 1.00 0.00 H new ATOM 0 HD2 LYS B 602 77.058 4.382 0.819 1.00 0.00 H new ATOM 0 HD3 LYS B 602 76.585 2.770 1.318 1.00 0.00 H new ATOM 0 HE2 LYS B 602 76.807 1.880 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS B 602 76.691 3.457 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS B 602 78.929 3.266 -1.685 1.00 0.00 H new ATOM 0 HZ2 LYS B 602 78.835 3.827 -0.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 602 78.989 2.165 -0.394 1.00 0.00 H new ATOM 2522 N LEU B 603 74.130 1.874 4.339 1.00 0.00 N ATOM 2523 CA LEU B 603 74.942 1.284 5.454 1.00 0.00 C ATOM 2524 C LEU B 603 74.488 -0.147 5.771 1.00 0.00 C ATOM 2525 O LEU B 603 75.276 -1.071 5.748 1.00 0.00 O ATOM 2526 CB LEU B 603 74.809 2.176 6.701 1.00 0.00 C ATOM 2527 CG LEU B 603 74.608 3.638 6.276 1.00 0.00 C ATOM 2528 CD1 LEU B 603 74.524 4.530 7.513 1.00 0.00 C ATOM 2529 CD2 LEU B 603 75.776 4.120 5.399 1.00 0.00 C ATOM 0 H LEU B 603 73.256 2.314 4.627 1.00 0.00 H new ATOM 0 HA LEU B 603 75.986 1.238 5.145 1.00 0.00 H new ATOM 0 HB2 LEU B 603 73.966 1.845 7.308 1.00 0.00 H new ATOM 0 HB3 LEU B 603 75.702 2.087 7.320 1.00 0.00 H new ATOM 0 HG LEU B 603 73.682 3.699 5.704 1.00 0.00 H new ATOM 0 HD11 LEU B 603 74.381 5.566 7.206 1.00 0.00 H new ATOM 0 HD12 LEU B 603 73.683 4.216 8.132 1.00 0.00 H new ATOM 0 HD13 LEU B 603 75.447 4.445 8.086 1.00 0.00 H new ATOM 0 HD21 LEU B 603 75.610 5.158 5.111 1.00 0.00 H new ATOM 0 HD22 LEU B 603 76.708 4.043 5.960 1.00 0.00 H new ATOM 0 HD23 LEU B 603 75.839 3.501 4.504 1.00 0.00 H new ATOM 2541 N PHE B 604 73.231 -0.342 6.081 1.00 0.00 N ATOM 2542 CA PHE B 604 72.744 -1.718 6.417 1.00 0.00 C ATOM 2543 C PHE B 604 72.153 -2.388 5.169 1.00 0.00 C ATOM 2544 O PHE B 604 71.619 -3.477 5.238 1.00 0.00 O ATOM 2545 CB PHE B 604 71.671 -1.619 7.519 1.00 0.00 C ATOM 2546 CG PHE B 604 72.331 -1.583 8.882 1.00 0.00 C ATOM 2547 CD1 PHE B 604 72.846 -0.380 9.385 1.00 0.00 C ATOM 2548 CD2 PHE B 604 72.425 -2.755 9.642 1.00 0.00 C ATOM 2549 CE1 PHE B 604 73.453 -0.353 10.646 1.00 0.00 C ATOM 2550 CE2 PHE B 604 73.032 -2.727 10.903 1.00 0.00 C ATOM 2551 CZ PHE B 604 73.546 -1.526 11.405 1.00 0.00 C ATOM 0 H PHE B 604 72.521 0.389 6.116 1.00 0.00 H new ATOM 0 HA PHE B 604 73.579 -2.321 6.773 1.00 0.00 H new ATOM 0 HB2 PHE B 604 71.070 -0.722 7.373 1.00 0.00 H new ATOM 0 HB3 PHE B 604 70.993 -2.471 7.456 1.00 0.00 H new ATOM 0 HD1 PHE B 604 72.774 0.525 8.800 1.00 0.00 H new ATOM 0 HD2 PHE B 604 72.029 -3.682 9.255 1.00 0.00 H new ATOM 0 HE1 PHE B 604 73.850 0.573 11.034 1.00 0.00 H new ATOM 0 HE2 PHE B 604 73.104 -3.632 11.488 1.00 0.00 H new ATOM 0 HZ PHE B 604 74.014 -1.504 12.378 1.00 0.00 H new ATOM 2561 N CYS B 605 72.251 -1.759 4.029 1.00 0.00 N ATOM 2562 CA CYS B 605 71.700 -2.378 2.787 1.00 0.00 C ATOM 2563 C CYS B 605 72.360 -1.737 1.563 1.00 0.00 C ATOM 2564 O CYS B 605 71.812 -1.871 0.481 1.00 0.00 O ATOM 2565 CB CYS B 605 70.182 -2.160 2.730 1.00 0.00 C ATOM 2566 SG CYS B 605 69.355 -3.384 3.776 1.00 0.00 S ATOM 2567 OXT CYS B 605 73.401 -1.124 1.729 1.00 0.00 O ATOM 0 H CYS B 605 72.687 -0.846 3.903 1.00 0.00 H new ATOM 0 HA CYS B 605 71.907 -3.448 2.792 1.00 0.00 H new ATOM 0 HB2 CYS B 605 69.936 -1.153 3.067 1.00 0.00 H new ATOM 0 HB3 CYS B 605 69.830 -2.247 1.702 1.00 0.00 H new ATOM 0 HG CYS B 605 70.102 -3.650 4.806 1.00 0.00 H new TER 2573 CYS B 605 HETATM 2574 ZN ZN B 701 65.294 25.221 14.466 1.00 0.00 ZN HETATM 2575 ZN ZN B 702 71.341 11.634 4.696 1.00 0.00 ZN