USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1001 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= 0.766 X(o=-1.4,f=-1.4) USER MOD Set 1.2: A 106 GLN : amide:sc= -2.21! C(o=-1.4!,f=-1.4!) USER MOD Single : A 1 ALA N :NH3+ 138:sc= 0.109 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= -0.0679 (180deg=-0.0819) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.039) USER MOD Single : A 27 GLN : amide:sc= -0.901 K(o=-0.9,f=-2.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 41:sc= 0.0853 USER MOD Single : A 35 THR OG1 : rot -130:sc= -0.63 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 120:sc= -0.11 USER MOD Single : A 42 HIS : no HD1:sc= -1.13 K(o=-0.67,f=-7.8!) USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -138:sc= 0.234 USER MOD Single : A 70 TYR OH : rot -54:sc= 1.26 USER MOD Single : A 74 LYS NZ :NH3+ -123:sc= 1.33 (180deg=-0.568) USER MOD Single : A 75 ASN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= -0.0414 (180deg=-0.323) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.774 K(o=-0.77,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.95) USER MOD Single : A 88 LYS NZ :NH3+ 163:sc= 0.0462 (180deg=0.00877) USER MOD Single : A 92 THR OG1 : rot -167:sc= 1.04 USER MOD Single : A 98 TYR OH : rot -160:sc= -0.472 USER MOD Single : A 100 ASN : amide:sc= -4.01! K(o=-4!,f=-1.5) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 180:sc= -0.398 (180deg=-0.398) USER MOD Single : A 112 THR OG1 : rot -159:sc= -0.142 USER MOD Single : A 113 HIS : no HD1:sc= -5.83! C(o=-5.2!,f=-18!) USER MOD Single : A 114 SER OG : rot 82:sc= 1.2 USER MOD Single : A 115 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0124) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.4) USER MOD Single : A 120 ASN : amide:sc= -0.0322 X(o=-0.032,f=-0.42) USER MOD Single : A 121 GLN : amide:sc=-0.00565 X(o=-0.0057,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.018 11.424 4.725 1.00 0.00 N ATOM 2 CA ALA A 1 -13.923 11.560 3.255 1.00 0.00 C ATOM 3 C ALA A 1 -13.341 10.278 2.677 1.00 0.00 C ATOM 4 O ALA A 1 -12.527 9.688 3.365 1.00 0.00 O ATOM 5 CB ALA A 1 -13.068 12.778 2.859 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.714 12.310 5.176 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.002 11.219 4.992 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.405 10.646 5.042 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.921 11.724 2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.018 12.850 1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.518 13.685 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.062 12.663 3.262 1.00 0.00 H new ATOM 13 N PRO A 2 -13.734 9.859 1.460 1.00 0.00 N ATOM 14 CA PRO A 2 -13.166 8.700 0.757 1.00 0.00 C ATOM 15 C PRO A 2 -11.701 8.913 0.292 1.00 0.00 C ATOM 16 O PRO A 2 -11.101 8.073 -0.364 1.00 0.00 O ATOM 17 CB PRO A 2 -14.109 8.462 -0.441 1.00 0.00 C ATOM 18 CG PRO A 2 -14.668 9.855 -0.743 1.00 0.00 C ATOM 19 CD PRO A 2 -14.733 10.515 0.633 1.00 0.00 C ATOM 0 HA PRO A 2 -13.106 7.840 1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.574 8.051 -1.297 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.902 7.757 -0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.022 10.409 -1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.651 9.801 -1.210 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.533 11.584 0.559 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.727 10.406 1.068 1.00 0.00 H new ATOM 27 N ILE A 3 -11.103 10.061 0.570 1.00 0.00 N ATOM 28 CA ILE A 3 -9.718 10.375 0.218 1.00 0.00 C ATOM 29 C ILE A 3 -8.889 10.481 1.497 1.00 0.00 C ATOM 30 O ILE A 3 -9.001 11.458 2.233 1.00 0.00 O ATOM 31 CB ILE A 3 -9.699 11.636 -0.662 1.00 0.00 C ATOM 32 CG1 ILE A 3 -8.246 11.912 -1.121 1.00 0.00 C ATOM 33 CG2 ILE A 3 -10.319 12.862 0.052 1.00 0.00 C ATOM 34 CD1 ILE A 3 -7.851 11.115 -2.365 1.00 0.00 C ATOM 0 H ILE A 3 -11.575 10.822 1.059 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.259 9.584 -0.375 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.323 11.458 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.132 12.976 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.562 11.669 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.282 13.726 -0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.356 12.647 0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.756 13.077 0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.822 11.352 -2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.935 10.049 -2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.514 11.376 -3.190 1.00 0.00 H new ATOM 46 N VAL A 4 -8.088 9.462 1.775 1.00 0.00 N ATOM 47 CA VAL A 4 -7.132 9.512 2.885 1.00 0.00 C ATOM 48 C VAL A 4 -5.825 10.179 2.455 1.00 0.00 C ATOM 49 O VAL A 4 -5.567 10.423 1.265 1.00 0.00 O ATOM 50 CB VAL A 4 -6.909 8.104 3.462 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.228 7.481 3.951 1.00 0.00 C ATOM 52 CG2 VAL A 4 -6.291 7.162 2.441 1.00 0.00 C ATOM 0 H VAL A 4 -8.077 8.588 1.250 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.549 10.128 3.681 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.224 8.229 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.034 6.486 4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.660 8.109 4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.926 7.406 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.151 6.179 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.952 7.076 1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.326 7.555 2.120 1.00 0.00 H new ATOM 62 N THR A 5 -4.977 10.472 3.432 1.00 0.00 N ATOM 63 CA THR A 5 -3.657 11.044 3.230 1.00 0.00 C ATOM 64 C THR A 5 -2.639 10.518 4.224 1.00 0.00 C ATOM 65 O THR A 5 -2.911 10.308 5.400 1.00 0.00 O ATOM 66 CB THR A 5 -3.675 12.579 3.232 1.00 0.00 C ATOM 67 OG1 THR A 5 -4.200 13.160 4.393 1.00 0.00 O ATOM 68 CG2 THR A 5 -4.552 13.139 2.123 1.00 0.00 C ATOM 0 H THR A 5 -5.197 10.313 4.415 1.00 0.00 H new ATOM 0 HA THR A 5 -3.346 10.720 2.237 1.00 0.00 H new ATOM 0 HB THR A 5 -2.618 12.823 3.121 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.173 14.136 4.311 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.536 14.228 2.161 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.175 12.804 1.157 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.575 12.786 2.255 1.00 0.00 H new ATOM 76 N CYS A 6 -1.449 10.216 3.728 1.00 0.00 N ATOM 77 CA CYS A 6 -0.407 9.687 4.608 1.00 0.00 C ATOM 78 C CYS A 6 0.380 10.866 5.194 1.00 0.00 C ATOM 79 O CYS A 6 0.319 11.966 4.642 1.00 0.00 O ATOM 80 CB CYS A 6 0.445 8.675 3.833 1.00 0.00 C ATOM 81 SG CYS A 6 -0.292 7.084 3.295 1.00 0.00 S ATOM 0 H CYS A 6 -1.180 10.322 2.750 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.823 9.139 5.453 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.817 9.179 2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.312 8.439 4.451 1.00 0.00 H new ATOM 86 N ARG A 7 1.218 10.625 6.213 1.00 0.00 N ATOM 87 CA ARG A 7 2.166 11.609 6.778 1.00 0.00 C ATOM 88 C ARG A 7 3.662 11.277 6.538 1.00 0.00 C ATOM 89 O ARG A 7 4.443 11.380 7.474 1.00 0.00 O ATOM 90 CB ARG A 7 1.808 11.780 8.261 1.00 0.00 C ATOM 91 CG ARG A 7 2.149 13.195 8.744 1.00 0.00 C ATOM 92 CD ARG A 7 1.487 13.385 10.108 1.00 0.00 C ATOM 93 NE ARG A 7 1.143 14.793 10.338 1.00 0.00 N ATOM 94 CZ ARG A 7 0.372 15.252 11.301 1.00 0.00 C ATOM 95 NH1 ARG A 7 -0.247 14.446 12.112 1.00 0.00 N ATOM 96 NH2 ARG A 7 0.198 16.523 11.483 1.00 0.00 N ATOM 0 H ARG A 7 1.260 9.720 6.682 1.00 0.00 H new ATOM 0 HA ARG A 7 2.055 12.556 6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.745 11.587 8.408 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.351 11.047 8.858 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.229 13.325 8.820 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.788 13.940 8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.587 12.773 10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.159 13.039 10.893 1.00 0.00 H new ATOM 0 HE ARG A 7 1.537 15.478 9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.140 13.437 12.009 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.840 14.823 12.852 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.664 17.194 10.872 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.405 16.852 12.237 1.00 0.00 H new ATOM 110 N PRO A 8 4.077 10.874 5.317 1.00 0.00 N ATOM 111 CA PRO A 8 5.454 10.533 4.971 1.00 0.00 C ATOM 112 C PRO A 8 6.375 11.753 5.027 1.00 0.00 C ATOM 113 O PRO A 8 5.942 12.861 5.331 1.00 0.00 O ATOM 114 CB PRO A 8 5.382 9.981 3.540 1.00 0.00 C ATOM 115 CG PRO A 8 4.202 10.686 2.926 1.00 0.00 C ATOM 116 CD PRO A 8 3.277 10.837 4.116 1.00 0.00 C ATOM 0 HA PRO A 8 5.870 9.813 5.676 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.299 10.187 2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.244 8.900 3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.479 11.650 2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.747 10.101 2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.689 11.750 4.025 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.572 10.006 4.156 1.00 0.00 H new ATOM 124 N LYS A 9 7.630 11.596 4.605 1.00 0.00 N ATOM 125 CA LYS A 9 8.641 12.653 4.595 1.00 0.00 C ATOM 126 C LYS A 9 9.128 12.982 3.187 1.00 0.00 C ATOM 127 O LYS A 9 9.716 12.152 2.492 1.00 0.00 O ATOM 128 CB LYS A 9 9.785 12.220 5.508 1.00 0.00 C ATOM 129 CG LYS A 9 10.444 13.434 6.161 1.00 0.00 C ATOM 130 CD LYS A 9 11.457 12.961 7.219 1.00 0.00 C ATOM 131 CE LYS A 9 12.649 12.223 6.592 1.00 0.00 C ATOM 132 NZ LYS A 9 13.506 13.167 5.832 1.00 0.00 N ATOM 0 H LYS A 9 7.981 10.706 4.251 1.00 0.00 H new ATOM 0 HA LYS A 9 8.200 13.578 4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.408 11.547 6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.525 11.664 4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.946 14.039 5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.687 14.067 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.820 13.821 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.957 12.303 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.235 11.739 7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.289 11.436 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.325 12.657 5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.957 13.585 5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.837 13.922 6.466 1.00 0.00 H new ATOM 146 N LEU A 10 8.961 14.235 2.790 1.00 0.00 N ATOM 147 CA LEU A 10 9.490 14.653 1.490 1.00 0.00 C ATOM 148 C LEU A 10 10.865 15.289 1.692 1.00 0.00 C ATOM 149 O LEU A 10 11.907 14.637 1.618 1.00 0.00 O ATOM 150 CB LEU A 10 8.438 15.490 0.760 1.00 0.00 C ATOM 151 CG LEU A 10 8.636 15.744 -0.749 1.00 0.00 C ATOM 152 CD1 LEU A 10 10.094 15.846 -1.194 1.00 0.00 C ATOM 153 CD2 LEU A 10 7.917 14.662 -1.577 1.00 0.00 C ATOM 0 H LEU A 10 8.482 14.961 3.323 1.00 0.00 H new ATOM 0 HA LEU A 10 9.675 13.814 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.472 15.003 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.378 16.458 1.257 1.00 0.00 H new ATOM 0 HG LEU A 10 8.196 16.724 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.135 16.025 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.577 16.671 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.611 14.915 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.067 14.857 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.324 13.682 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.851 14.680 -1.352 1.00 0.00 H new ATOM 165 N ASP A 11 10.840 16.554 2.089 1.00 0.00 N ATOM 166 CA ASP A 11 11.978 17.470 2.125 1.00 0.00 C ATOM 167 C ASP A 11 12.290 17.792 3.585 1.00 0.00 C ATOM 168 O ASP A 11 12.216 18.923 4.068 1.00 0.00 O ATOM 169 CB ASP A 11 11.721 18.709 1.248 1.00 0.00 C ATOM 170 CG ASP A 11 10.260 19.195 1.247 1.00 0.00 C ATOM 171 OD1 ASP A 11 9.741 19.458 2.361 1.00 0.00 O ATOM 172 OD2 ASP A 11 9.674 19.382 0.163 1.00 0.00 O ATOM 0 H ASP A 11 9.979 16.995 2.413 1.00 0.00 H new ATOM 0 HA ASP A 11 12.864 17.005 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.361 19.521 1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.016 18.482 0.224 1.00 0.00 H new ATOM 177 N GLY A 12 12.531 16.722 4.340 1.00 0.00 N ATOM 178 CA GLY A 12 12.759 16.847 5.787 1.00 0.00 C ATOM 179 C GLY A 12 11.502 17.130 6.615 1.00 0.00 C ATOM 180 O GLY A 12 11.527 16.856 7.809 1.00 0.00 O ATOM 0 H GLY A 12 12.574 15.767 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.215 15.926 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.478 17.648 5.959 1.00 0.00 H new ATOM 184 N ARG A 13 10.412 17.611 6.002 1.00 0.00 N ATOM 185 CA ARG A 13 9.104 17.849 6.631 1.00 0.00 C ATOM 186 C ARG A 13 8.109 16.765 6.237 1.00 0.00 C ATOM 187 O ARG A 13 8.302 16.037 5.260 1.00 0.00 O ATOM 188 CB ARG A 13 8.592 19.236 6.211 1.00 0.00 C ATOM 189 CG ARG A 13 9.459 20.360 6.813 1.00 0.00 C ATOM 190 CD ARG A 13 9.314 21.640 5.994 1.00 0.00 C ATOM 191 NE ARG A 13 9.912 21.508 4.643 1.00 0.00 N ATOM 192 CZ ARG A 13 10.238 22.499 3.844 1.00 0.00 C ATOM 193 NH1 ARG A 13 10.044 23.738 4.198 1.00 0.00 N ATOM 194 NH2 ARG A 13 10.757 22.265 2.681 1.00 0.00 N ATOM 0 H ARG A 13 10.417 17.856 5.012 1.00 0.00 H new ATOM 0 HA ARG A 13 9.214 17.816 7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.596 19.313 5.124 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.559 19.358 6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.161 20.545 7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.504 20.050 6.834 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.258 21.892 5.900 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.792 22.464 6.523 1.00 0.00 H new ATOM 0 HE ARG A 13 10.086 20.562 4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.633 23.950 5.107 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.303 24.496 3.566 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.916 21.304 2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.007 23.041 2.068 1.00 0.00 H new ATOM 208 N GLU A 14 7.034 16.695 7.010 1.00 0.00 N ATOM 209 CA GLU A 14 5.941 15.756 6.797 1.00 0.00 C ATOM 210 C GLU A 14 5.120 16.165 5.578 1.00 0.00 C ATOM 211 O GLU A 14 4.408 17.176 5.596 1.00 0.00 O ATOM 212 CB GLU A 14 5.041 15.687 8.020 1.00 0.00 C ATOM 213 CG GLU A 14 5.727 14.996 9.208 1.00 0.00 C ATOM 214 CD GLU A 14 4.887 15.176 10.489 1.00 0.00 C ATOM 215 OE1 GLU A 14 3.723 15.647 10.385 1.00 0.00 O ATOM 216 OE2 GLU A 14 5.415 14.878 11.578 1.00 0.00 O ATOM 0 H GLU A 14 6.894 17.301 7.818 1.00 0.00 H new ATOM 0 HA GLU A 14 6.373 14.770 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.747 16.696 8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.128 15.149 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.856 13.935 8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.723 15.415 9.356 1.00 0.00 H new ATOM 223 N LYS A 15 5.258 15.425 4.483 1.00 0.00 N ATOM 224 CA LYS A 15 4.516 15.724 3.262 1.00 0.00 C ATOM 225 C LYS A 15 3.261 14.868 3.145 1.00 0.00 C ATOM 226 O LYS A 15 3.390 13.658 3.110 1.00 0.00 O ATOM 227 CB LYS A 15 5.412 15.523 2.054 1.00 0.00 C ATOM 228 CG LYS A 15 4.850 16.161 0.769 1.00 0.00 C ATOM 229 CD LYS A 15 4.945 17.699 0.830 1.00 0.00 C ATOM 230 CE LYS A 15 4.179 18.316 -0.343 1.00 0.00 C ATOM 231 NZ LYS A 15 3.771 19.711 -0.027 1.00 0.00 N ATOM 0 H LYS A 15 5.875 14.616 4.415 1.00 0.00 H new ATOM 0 HA LYS A 15 4.197 16.766 3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.394 15.947 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.555 14.455 1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.402 15.793 -0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.810 15.862 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.535 18.060 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.989 18.009 0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.803 18.308 -1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.297 17.715 -0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.253 20.113 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.158 19.711 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.617 20.286 0.162 1.00 0.00 H new ATOM 245 N PRO A 16 2.061 15.442 2.986 1.00 0.00 N ATOM 246 CA PRO A 16 0.826 14.689 2.844 1.00 0.00 C ATOM 247 C PRO A 16 0.773 13.893 1.537 1.00 0.00 C ATOM 248 O PRO A 16 0.856 14.473 0.448 1.00 0.00 O ATOM 249 CB PRO A 16 -0.300 15.719 2.927 1.00 0.00 C ATOM 250 CG PRO A 16 0.374 17.012 2.457 1.00 0.00 C ATOM 251 CD PRO A 16 1.814 16.855 2.921 1.00 0.00 C ATOM 0 HA PRO A 16 0.738 13.937 3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.141 15.448 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.687 15.812 3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.312 17.126 1.375 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.095 17.892 2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.502 17.339 2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.962 17.322 3.895 1.00 0.00 H new ATOM 259 N PHE A 17 0.568 12.575 1.624 1.00 0.00 N ATOM 260 CA PHE A 17 0.462 11.730 0.428 1.00 0.00 C ATOM 261 C PHE A 17 -0.989 11.437 0.095 1.00 0.00 C ATOM 262 O PHE A 17 -1.617 10.659 0.798 1.00 0.00 O ATOM 263 CB PHE A 17 1.247 10.421 0.579 1.00 0.00 C ATOM 264 CG PHE A 17 2.076 10.053 -0.643 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.641 10.388 -1.947 1.00 0.00 C ATOM 266 CD2 PHE A 17 3.281 9.341 -0.483 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.427 10.065 -3.064 1.00 0.00 C ATOM 268 CE2 PHE A 17 4.074 9.025 -1.594 1.00 0.00 C ATOM 269 CZ PHE A 17 3.644 9.372 -2.889 1.00 0.00 C ATOM 0 H PHE A 17 0.472 12.071 2.506 1.00 0.00 H new ATOM 0 HA PHE A 17 0.904 12.290 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.907 10.503 1.442 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.547 9.612 0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.698 10.896 -2.084 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.596 9.036 0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.101 10.346 -4.055 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.016 8.515 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.244 9.108 -3.747 1.00 0.00 H new ATOM 279 N LYS A 18 -1.541 12.049 -0.954 1.00 0.00 N ATOM 280 CA LYS A 18 -2.922 11.771 -1.400 1.00 0.00 C ATOM 281 C LYS A 18 -3.126 10.329 -1.777 1.00 0.00 C ATOM 282 O LYS A 18 -2.298 9.785 -2.503 1.00 0.00 O ATOM 283 CB LYS A 18 -3.262 12.651 -2.610 1.00 0.00 C ATOM 284 CG LYS A 18 -2.876 14.136 -2.413 1.00 0.00 C ATOM 285 CD LYS A 18 -3.827 15.060 -3.178 1.00 0.00 C ATOM 286 CE LYS A 18 -5.195 15.136 -2.483 1.00 0.00 C ATOM 287 NZ LYS A 18 -6.255 15.597 -3.418 1.00 0.00 N ATOM 0 H LYS A 18 -1.055 12.746 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.580 11.995 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.748 12.263 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.331 12.584 -2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.900 14.383 -1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.854 14.298 -2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.394 16.058 -3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.952 14.696 -4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.459 14.155 -2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.136 15.817 -1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.166 15.637 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.015 16.543 -3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.327 14.933 -4.215 1.00 0.00 H new ATOM 301 N VAL A 19 -4.258 9.779 -1.330 1.00 0.00 N ATOM 302 CA VAL A 19 -4.676 8.403 -1.546 1.00 0.00 C ATOM 303 C VAL A 19 -6.204 8.335 -1.584 1.00 0.00 C ATOM 304 O VAL A 19 -6.916 8.660 -0.637 1.00 0.00 O ATOM 305 CB VAL A 19 -4.074 7.497 -0.456 1.00 0.00 C ATOM 306 CG1 VAL A 19 -4.876 6.212 -0.284 1.00 0.00 C ATOM 307 CG2 VAL A 19 -2.661 7.044 -0.803 1.00 0.00 C ATOM 0 H VAL A 19 -4.935 10.311 -0.783 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.306 8.041 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.085 8.104 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.420 5.600 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.899 6.457 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.883 5.659 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.277 6.407 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.678 6.484 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.016 7.916 -0.913 1.00 0.00 H new ATOM 317 N ASP A 20 -6.738 7.909 -2.710 1.00 0.00 N ATOM 318 CA ASP A 20 -8.138 7.592 -2.897 1.00 0.00 C ATOM 319 C ASP A 20 -8.460 6.158 -2.465 1.00 0.00 C ATOM 320 O ASP A 20 -7.971 5.171 -3.014 1.00 0.00 O ATOM 321 CB ASP A 20 -8.505 7.897 -4.347 1.00 0.00 C ATOM 322 CG ASP A 20 -7.673 7.179 -5.407 1.00 0.00 C ATOM 323 OD1 ASP A 20 -6.422 7.116 -5.276 1.00 0.00 O ATOM 324 OD2 ASP A 20 -8.357 6.748 -6.354 1.00 0.00 O ATOM 0 H ASP A 20 -6.185 7.768 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.758 8.213 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.553 7.640 -4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.414 8.971 -4.507 1.00 0.00 H new ATOM 329 N VAL A 21 -9.343 6.035 -1.467 1.00 0.00 N ATOM 330 CA VAL A 21 -9.850 4.719 -1.040 1.00 0.00 C ATOM 331 C VAL A 21 -10.382 3.885 -2.204 1.00 0.00 C ATOM 332 O VAL A 21 -10.155 2.680 -2.217 1.00 0.00 O ATOM 333 CB VAL A 21 -10.936 4.859 0.033 1.00 0.00 C ATOM 334 CG1 VAL A 21 -12.245 5.470 -0.490 1.00 0.00 C ATOM 335 CG2 VAL A 21 -11.325 3.522 0.671 1.00 0.00 C ATOM 0 H VAL A 21 -9.721 6.823 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.994 4.192 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.471 5.522 0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.966 5.538 0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.049 6.467 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.650 4.839 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.097 3.688 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.705 2.849 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.450 3.076 1.143 1.00 0.00 H new ATOM 345 N ALA A 22 -11.051 4.525 -3.176 1.00 0.00 N ATOM 346 CA ALA A 22 -11.658 3.902 -4.347 1.00 0.00 C ATOM 347 C ALA A 22 -10.642 3.003 -5.050 1.00 0.00 C ATOM 348 O ALA A 22 -10.790 1.776 -5.029 1.00 0.00 O ATOM 349 CB ALA A 22 -12.205 4.992 -5.294 1.00 0.00 C ATOM 0 H ALA A 22 -11.186 5.536 -3.160 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.494 3.276 -4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.657 4.522 -6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.956 5.585 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.389 5.640 -5.613 1.00 0.00 H new ATOM 355 N THR A 23 -9.595 3.613 -5.623 1.00 0.00 N ATOM 356 CA THR A 23 -8.544 2.852 -6.283 1.00 0.00 C ATOM 357 C THR A 23 -7.919 1.878 -5.290 1.00 0.00 C ATOM 358 O THR A 23 -7.745 0.716 -5.611 1.00 0.00 O ATOM 359 CB THR A 23 -7.509 3.764 -6.961 1.00 0.00 C ATOM 360 OG1 THR A 23 -6.969 3.082 -8.058 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.349 4.127 -6.045 1.00 0.00 C ATOM 0 H THR A 23 -9.460 4.624 -5.639 1.00 0.00 H new ATOM 0 HA THR A 23 -8.985 2.270 -7.092 1.00 0.00 H new ATOM 0 HB THR A 23 -8.026 4.681 -7.244 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.307 3.651 -8.504 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.652 4.772 -6.579 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.728 4.651 -5.168 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.835 3.218 -5.731 1.00 0.00 H new ATOM 369 N ALA A 24 -7.603 2.303 -4.065 1.00 0.00 N ATOM 370 CA ALA A 24 -6.860 1.485 -3.119 1.00 0.00 C ATOM 371 C ALA A 24 -7.540 0.138 -2.887 1.00 0.00 C ATOM 372 O ALA A 24 -6.950 -0.923 -3.105 1.00 0.00 O ATOM 373 CB ALA A 24 -6.766 2.251 -1.809 1.00 0.00 C ATOM 0 H ALA A 24 -7.857 3.223 -3.706 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.868 1.281 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.212 1.659 -1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.249 3.196 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.769 2.448 -1.430 1.00 0.00 H new ATOM 379 N GLN A 25 -8.813 0.196 -2.498 1.00 0.00 N ATOM 380 CA GLN A 25 -9.674 -0.967 -2.376 1.00 0.00 C ATOM 381 C GLN A 25 -9.796 -1.734 -3.686 1.00 0.00 C ATOM 382 O GLN A 25 -9.805 -2.966 -3.650 1.00 0.00 O ATOM 383 CB GLN A 25 -11.084 -0.540 -1.941 1.00 0.00 C ATOM 384 CG GLN A 25 -11.086 -0.146 -0.471 1.00 0.00 C ATOM 385 CD GLN A 25 -12.495 0.095 0.069 1.00 0.00 C ATOM 386 OE1 GLN A 25 -13.324 0.782 -0.499 1.00 0.00 O ATOM 387 NE2 GLN A 25 -12.843 -0.491 1.187 1.00 0.00 N ATOM 0 H GLN A 25 -9.278 1.071 -2.256 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.217 -1.616 -1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.422 0.299 -2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.786 -1.357 -2.107 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.606 -0.931 0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.491 0.758 -0.340 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.172 -1.074 1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.785 -0.365 1.557 1.00 0.00 H new ATOM 396 N ALA A 26 -9.881 -1.037 -4.826 1.00 0.00 N ATOM 397 CA ALA A 26 -9.932 -1.665 -6.136 1.00 0.00 C ATOM 398 C ALA A 26 -8.687 -2.517 -6.367 1.00 0.00 C ATOM 399 O ALA A 26 -8.858 -3.684 -6.690 1.00 0.00 O ATOM 400 CB ALA A 26 -10.127 -0.624 -7.248 1.00 0.00 C ATOM 0 H ALA A 26 -9.916 -0.018 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.799 -2.325 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.161 -1.126 -8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.062 -0.088 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.297 0.082 -7.235 1.00 0.00 H new ATOM 406 N GLN A 27 -7.475 -1.999 -6.146 1.00 0.00 N ATOM 407 CA GLN A 27 -6.208 -2.704 -6.360 1.00 0.00 C ATOM 408 C GLN A 27 -6.089 -3.913 -5.440 1.00 0.00 C ATOM 409 O GLN A 27 -5.849 -5.023 -5.906 1.00 0.00 O ATOM 410 CB GLN A 27 -5.036 -1.739 -6.125 1.00 0.00 C ATOM 411 CG GLN A 27 -5.033 -0.471 -6.985 1.00 0.00 C ATOM 412 CD GLN A 27 -4.699 -0.766 -8.445 1.00 0.00 C ATOM 413 OE1 GLN A 27 -3.607 -0.482 -8.912 1.00 0.00 O ATOM 414 NE2 GLN A 27 -5.630 -1.342 -9.186 1.00 0.00 N ATOM 0 H GLN A 27 -7.345 -1.047 -5.802 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.181 -3.064 -7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.038 -1.444 -5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.105 -2.278 -6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.011 0.008 -6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.307 0.237 -6.584 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.536 -1.572 -8.778 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.442 -1.557 -10.165 1.00 0.00 H new ATOM 423 N ALA A 28 -6.364 -3.730 -4.147 1.00 0.00 N ATOM 424 CA ALA A 28 -6.340 -4.821 -3.168 1.00 0.00 C ATOM 425 C ALA A 28 -7.304 -5.953 -3.543 1.00 0.00 C ATOM 426 O ALA A 28 -6.952 -7.134 -3.504 1.00 0.00 O ATOM 427 CB ALA A 28 -6.711 -4.258 -1.789 1.00 0.00 C ATOM 0 H ALA A 28 -6.609 -2.824 -3.749 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.335 -5.243 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.696 -5.061 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.991 -3.491 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.709 -3.822 -1.831 1.00 0.00 H new ATOM 433 N ARG A 29 -8.545 -5.589 -3.896 1.00 0.00 N ATOM 434 CA ARG A 29 -9.574 -6.549 -4.301 1.00 0.00 C ATOM 435 C ARG A 29 -9.264 -7.195 -5.645 1.00 0.00 C ATOM 436 O ARG A 29 -9.502 -8.388 -5.805 1.00 0.00 O ATOM 437 CB ARG A 29 -10.937 -5.849 -4.326 1.00 0.00 C ATOM 438 CG ARG A 29 -12.075 -6.877 -4.374 1.00 0.00 C ATOM 439 CD ARG A 29 -13.347 -6.262 -3.766 1.00 0.00 C ATOM 440 NE ARG A 29 -14.564 -6.887 -4.322 1.00 0.00 N ATOM 441 CZ ARG A 29 -15.084 -6.619 -5.506 1.00 0.00 C ATOM 442 NH1 ARG A 29 -14.547 -5.747 -6.311 1.00 0.00 N ATOM 443 NH2 ARG A 29 -16.163 -7.218 -5.903 1.00 0.00 N ATOM 0 H ARG A 29 -8.861 -4.619 -3.908 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.594 -7.357 -3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.045 -5.221 -3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.998 -5.191 -5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.262 -7.181 -5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.793 -7.774 -3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.333 -6.388 -2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.364 -5.190 -3.962 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.041 -7.581 -3.746 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.701 -5.249 -6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.972 -5.562 -7.219 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.618 -7.903 -5.299 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.557 -7.004 -6.819 1.00 0.00 H new ATOM 457 N LYS A 30 -8.770 -6.412 -6.609 1.00 0.00 N ATOM 458 CA LYS A 30 -8.384 -6.864 -7.952 1.00 0.00 C ATOM 459 C LYS A 30 -7.259 -7.882 -7.881 1.00 0.00 C ATOM 460 O LYS A 30 -7.278 -8.834 -8.660 1.00 0.00 O ATOM 461 CB LYS A 30 -7.953 -5.669 -8.832 1.00 0.00 C ATOM 462 CG LYS A 30 -7.839 -6.043 -10.316 1.00 0.00 C ATOM 463 CD LYS A 30 -9.224 -5.916 -10.978 1.00 0.00 C ATOM 464 CE LYS A 30 -9.229 -6.693 -12.294 1.00 0.00 C ATOM 465 NZ LYS A 30 -10.592 -6.737 -12.889 1.00 0.00 N ATOM 0 H LYS A 30 -8.622 -5.412 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.256 -7.337 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.675 -4.860 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.993 -5.291 -8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.123 -5.389 -10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.465 -7.062 -10.419 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.995 -6.303 -10.311 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.457 -4.867 -11.161 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.538 -6.228 -12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.872 -7.708 -12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.564 -7.271 -13.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.245 -7.203 -12.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.921 -5.768 -13.075 1.00 0.00 H new ATOM 479 N ALA A 31 -6.301 -7.662 -6.986 1.00 0.00 N ATOM 480 CA ALA A 31 -5.200 -8.578 -6.762 1.00 0.00 C ATOM 481 C ALA A 31 -5.625 -9.829 -6.001 1.00 0.00 C ATOM 482 O ALA A 31 -5.171 -10.930 -6.315 1.00 0.00 O ATOM 483 CB ALA A 31 -4.144 -7.835 -5.971 1.00 0.00 C ATOM 0 H ALA A 31 -6.272 -6.833 -6.392 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.821 -8.914 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.298 -8.496 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.808 -6.967 -6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.565 -7.506 -5.021 1.00 0.00 H new ATOM 489 N GLY A 32 -6.494 -9.659 -5.002 1.00 0.00 N ATOM 490 CA GLY A 32 -6.942 -10.765 -4.167 1.00 0.00 C ATOM 491 C GLY A 32 -5.863 -11.205 -3.182 1.00 0.00 C ATOM 492 O GLY A 32 -4.900 -10.491 -2.921 1.00 0.00 O ATOM 0 H GLY A 32 -6.901 -8.757 -4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.835 -10.467 -3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.222 -11.607 -4.799 1.00 0.00 H new ATOM 496 N LEU A 33 -6.024 -12.392 -2.604 1.00 0.00 N ATOM 497 CA LEU A 33 -5.133 -12.944 -1.564 1.00 0.00 C ATOM 498 C LEU A 33 -4.298 -14.109 -2.110 1.00 0.00 C ATOM 499 O LEU A 33 -4.040 -15.089 -1.414 1.00 0.00 O ATOM 500 CB LEU A 33 -5.965 -13.379 -0.349 1.00 0.00 C ATOM 501 CG LEU A 33 -7.003 -12.358 0.176 1.00 0.00 C ATOM 502 CD1 LEU A 33 -8.120 -13.106 0.890 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.369 -11.369 1.142 1.00 0.00 C ATOM 0 H LEU A 33 -6.792 -13.018 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.435 -12.167 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.490 -14.299 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.281 -13.620 0.465 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.396 -11.801 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.855 -12.393 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.601 -13.793 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.705 -13.669 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.125 -10.666 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.953 -11.908 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.574 -10.823 0.634 1.00 0.00 H new ATOM 515 N THR A 34 -3.951 -14.042 -3.395 1.00 0.00 N ATOM 516 CA THR A 34 -3.234 -15.115 -4.091 1.00 0.00 C ATOM 517 C THR A 34 -2.319 -14.552 -5.160 1.00 0.00 C ATOM 518 O THR A 34 -2.750 -13.837 -6.065 1.00 0.00 O ATOM 519 CB THR A 34 -4.182 -16.136 -4.738 1.00 0.00 C ATOM 520 OG1 THR A 34 -5.164 -15.516 -5.531 1.00 0.00 O ATOM 521 CG2 THR A 34 -4.889 -16.993 -3.694 1.00 0.00 C ATOM 0 H THR A 34 -4.160 -13.238 -3.987 1.00 0.00 H new ATOM 0 HA THR A 34 -2.647 -15.628 -3.329 1.00 0.00 H new ATOM 0 HB THR A 34 -3.551 -16.765 -5.366 1.00 0.00 H new ATOM 0 HG1 THR A 34 -4.760 -14.779 -6.035 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.550 -17.702 -4.192 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.148 -17.537 -3.108 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.475 -16.353 -3.034 1.00 0.00 H new ATOM 529 N THR A 35 -1.041 -14.916 -5.085 1.00 0.00 N ATOM 530 CA THR A 35 -0.029 -14.534 -6.066 1.00 0.00 C ATOM 531 C THR A 35 0.785 -15.724 -6.545 1.00 0.00 C ATOM 532 O THR A 35 0.743 -16.794 -5.945 1.00 0.00 O ATOM 533 CB THR A 35 0.903 -13.486 -5.489 1.00 0.00 C ATOM 534 OG1 THR A 35 1.592 -12.990 -6.615 1.00 0.00 O ATOM 535 CG2 THR A 35 1.886 -14.026 -4.431 1.00 0.00 C ATOM 0 H THR A 35 -0.674 -15.494 -4.329 1.00 0.00 H new ATOM 0 HA THR A 35 -0.561 -14.122 -6.924 1.00 0.00 H new ATOM 0 HB THR A 35 0.340 -12.727 -4.946 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.556 -12.995 -6.437 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.515 -13.212 -4.070 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.326 -14.449 -3.597 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.512 -14.799 -4.877 1.00 0.00 H new ATOM 543 N GLY A 36 1.557 -15.513 -7.607 1.00 0.00 N ATOM 544 CA GLY A 36 2.522 -16.485 -8.117 1.00 0.00 C ATOM 545 C GLY A 36 2.802 -16.328 -9.606 1.00 0.00 C ATOM 546 O GLY A 36 3.744 -16.909 -10.123 1.00 0.00 O ATOM 0 H GLY A 36 1.530 -14.648 -8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.457 -16.383 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.149 -17.491 -7.928 1.00 0.00 H new ATOM 550 N LYS A 37 1.994 -15.506 -10.289 1.00 0.00 N ATOM 551 CA LYS A 37 2.135 -15.155 -11.709 1.00 0.00 C ATOM 552 C LYS A 37 3.375 -14.300 -11.973 1.00 0.00 C ATOM 553 O LYS A 37 4.100 -14.558 -12.921 1.00 0.00 O ATOM 554 CB LYS A 37 0.863 -14.464 -12.249 1.00 0.00 C ATOM 555 CG LYS A 37 0.219 -13.451 -11.272 1.00 0.00 C ATOM 556 CD LYS A 37 -0.841 -14.102 -10.358 1.00 0.00 C ATOM 557 CE LYS A 37 -2.226 -13.998 -11.002 1.00 0.00 C ATOM 558 NZ LYS A 37 -3.288 -13.936 -9.959 1.00 0.00 N ATOM 0 H LYS A 37 1.194 -15.050 -9.851 1.00 0.00 H new ATOM 0 HA LYS A 37 2.267 -16.091 -12.251 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.111 -13.948 -13.176 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.127 -15.229 -12.497 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.997 -13.000 -10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.243 -12.645 -11.842 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.590 -15.148 -10.184 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.846 -13.610 -9.385 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.274 -13.109 -11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.396 -14.857 -11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.220 -13.866 -10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.252 -14.796 -9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.134 -13.103 -9.356 1.00 0.00 H new ATOM 572 N SER A 38 3.597 -13.277 -11.143 1.00 0.00 N ATOM 573 CA SER A 38 4.721 -12.341 -11.262 1.00 0.00 C ATOM 574 C SER A 38 5.406 -12.078 -9.924 1.00 0.00 C ATOM 575 O SER A 38 6.600 -12.325 -9.752 1.00 0.00 O ATOM 576 CB SER A 38 4.236 -11.045 -11.920 1.00 0.00 C ATOM 577 OG SER A 38 3.302 -10.328 -11.097 1.00 0.00 O ATOM 0 H SER A 38 2.987 -13.071 -10.352 1.00 0.00 H new ATOM 0 HA SER A 38 5.481 -12.797 -11.896 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.093 -10.406 -12.133 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.768 -11.279 -12.876 1.00 0.00 H new ATOM 0 HG SER A 38 3.661 -9.439 -10.893 1.00 0.00 H new ATOM 583 N GLY A 39 4.649 -11.564 -8.964 1.00 0.00 N ATOM 584 CA GLY A 39 5.128 -11.206 -7.638 1.00 0.00 C ATOM 585 C GLY A 39 4.032 -10.680 -6.743 1.00 0.00 C ATOM 586 O GLY A 39 4.185 -10.751 -5.528 1.00 0.00 O ATOM 0 H GLY A 39 3.654 -11.379 -9.092 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.583 -12.080 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.909 -10.451 -7.730 1.00 0.00 H new ATOM 590 N ASP A 40 2.978 -10.126 -7.351 1.00 0.00 N ATOM 591 CA ASP A 40 1.932 -9.463 -6.617 1.00 0.00 C ATOM 592 C ASP A 40 0.591 -10.232 -6.771 1.00 0.00 C ATOM 593 O ASP A 40 0.347 -10.897 -7.792 1.00 0.00 O ATOM 594 CB ASP A 40 1.846 -7.973 -6.983 1.00 0.00 C ATOM 595 CG ASP A 40 3.119 -7.209 -7.406 1.00 0.00 C ATOM 596 OD1 ASP A 40 4.282 -7.639 -7.193 1.00 0.00 O ATOM 597 OD2 ASP A 40 2.937 -6.043 -7.785 1.00 0.00 O ATOM 0 H ASP A 40 2.840 -10.132 -8.362 1.00 0.00 H new ATOM 0 HA ASP A 40 2.174 -9.481 -5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.126 -7.880 -7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.425 -7.451 -6.123 1.00 0.00 H new ATOM 602 N PRO A 41 -0.274 -10.205 -5.745 1.00 0.00 N ATOM 603 CA PRO A 41 -0.101 -9.505 -4.473 1.00 0.00 C ATOM 604 C PRO A 41 0.974 -10.074 -3.571 1.00 0.00 C ATOM 605 O PRO A 41 1.502 -11.131 -3.846 1.00 0.00 O ATOM 606 CB PRO A 41 -1.471 -9.554 -3.812 1.00 0.00 C ATOM 607 CG PRO A 41 -2.103 -10.816 -4.381 1.00 0.00 C ATOM 608 CD PRO A 41 -1.556 -10.861 -5.798 1.00 0.00 C ATOM 0 HA PRO A 41 0.252 -8.490 -4.656 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.390 -9.602 -2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.061 -8.669 -4.049 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.821 -11.701 -3.811 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.192 -10.763 -4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.455 -11.889 -6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.226 -10.354 -6.492 1.00 0.00 H new ATOM 616 N HIS A 42 1.353 -9.375 -2.511 1.00 0.00 N ATOM 617 CA HIS A 42 2.423 -9.893 -1.634 1.00 0.00 C ATOM 618 C HIS A 42 1.844 -10.168 -0.264 1.00 0.00 C ATOM 619 O HIS A 42 0.981 -9.418 0.185 1.00 0.00 O ATOM 620 CB HIS A 42 3.604 -8.928 -1.539 1.00 0.00 C ATOM 621 CG HIS A 42 3.785 -7.989 -2.702 1.00 0.00 C ATOM 622 ND1 HIS A 42 3.099 -6.804 -2.895 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.592 -8.213 -3.775 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.516 -6.296 -4.072 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.435 -7.128 -4.609 1.00 0.00 N ATOM 0 H HIS A 42 0.959 -8.476 -2.233 1.00 0.00 H new ATOM 0 HA HIS A 42 2.809 -10.816 -2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.490 -8.334 -0.632 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.517 -9.513 -1.424 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.228 -9.070 -3.940 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.171 -5.373 -4.514 1.00 0.00 H new ATOM 0 HE2 HIS A 42 4.931 -6.977 -5.487 1.00 0.00 H new ATOM 634 N ARG A 43 2.299 -11.233 0.393 1.00 0.00 N ATOM 635 CA ARG A 43 1.856 -11.572 1.749 1.00 0.00 C ATOM 636 C ARG A 43 2.408 -10.564 2.743 1.00 0.00 C ATOM 637 O ARG A 43 3.616 -10.379 2.789 1.00 0.00 O ATOM 638 CB ARG A 43 2.376 -12.972 2.110 1.00 0.00 C ATOM 639 CG ARG A 43 1.378 -14.043 1.654 1.00 0.00 C ATOM 640 CD ARG A 43 0.179 -14.194 2.614 1.00 0.00 C ATOM 641 NE ARG A 43 0.620 -14.570 3.971 1.00 0.00 N ATOM 642 CZ ARG A 43 1.021 -15.762 4.365 1.00 0.00 C ATOM 643 NH1 ARG A 43 0.994 -16.791 3.568 1.00 0.00 N ATOM 644 NH2 ARG A 43 1.461 -15.944 5.572 1.00 0.00 N ATOM 0 H ARG A 43 2.982 -11.884 0.005 1.00 0.00 H new ATOM 0 HA ARG A 43 0.767 -11.554 1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.343 -13.141 1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.531 -13.044 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.011 -13.790 0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.893 -15.000 1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.375 -13.256 2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.504 -14.951 2.229 1.00 0.00 H new ATOM 0 HE ARG A 43 0.614 -13.833 4.676 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.656 -16.686 2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.311 -17.702 3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.499 -15.161 6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.769 -16.870 5.868 1.00 0.00 H new ATOM 658 N TYR A 44 1.540 -10.043 3.597 1.00 0.00 N ATOM 659 CA TYR A 44 1.893 -9.150 4.693 1.00 0.00 C ATOM 660 C TYR A 44 1.714 -9.930 5.998 1.00 0.00 C ATOM 661 O TYR A 44 0.632 -10.437 6.310 1.00 0.00 O ATOM 662 CB TYR A 44 1.039 -7.883 4.595 1.00 0.00 C ATOM 663 CG TYR A 44 1.342 -6.810 5.626 1.00 0.00 C ATOM 664 CD1 TYR A 44 1.144 -7.043 7.010 1.00 0.00 C ATOM 665 CD2 TYR A 44 1.846 -5.570 5.186 1.00 0.00 C ATOM 666 CE1 TYR A 44 1.497 -6.066 7.953 1.00 0.00 C ATOM 667 CE2 TYR A 44 2.172 -4.573 6.130 1.00 0.00 C ATOM 668 CZ TYR A 44 2.006 -4.829 7.512 1.00 0.00 C ATOM 669 OH TYR A 44 2.287 -3.888 8.449 1.00 0.00 O ATOM 0 H TYR A 44 0.540 -10.235 3.546 1.00 0.00 H new ATOM 0 HA TYR A 44 2.930 -8.817 4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.168 -7.454 3.601 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.010 -8.165 4.687 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.719 -7.979 7.341 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.982 -5.383 4.131 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.379 -6.261 9.009 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.548 -3.616 5.798 1.00 0.00 H new ATOM 0 HH TYR A 44 2.544 -4.327 9.287 1.00 0.00 H new ATOM 679 N PHE A 45 2.791 -10.099 6.749 1.00 0.00 N ATOM 680 CA PHE A 45 2.758 -10.666 8.097 1.00 0.00 C ATOM 681 C PHE A 45 3.194 -9.592 9.092 1.00 0.00 C ATOM 682 O PHE A 45 4.052 -8.776 8.767 1.00 0.00 O ATOM 683 CB PHE A 45 3.657 -11.903 8.128 1.00 0.00 C ATOM 684 CG PHE A 45 5.151 -11.601 8.097 1.00 0.00 C ATOM 685 CD1 PHE A 45 5.765 -11.122 6.915 1.00 0.00 C ATOM 686 CD2 PHE A 45 5.913 -11.734 9.279 1.00 0.00 C ATOM 687 CE1 PHE A 45 7.134 -10.795 6.914 1.00 0.00 C ATOM 688 CE2 PHE A 45 7.287 -11.426 9.270 1.00 0.00 C ATOM 689 CZ PHE A 45 7.895 -10.958 8.087 1.00 0.00 C ATOM 0 H PHE A 45 3.729 -9.844 6.439 1.00 0.00 H new ATOM 0 HA PHE A 45 1.753 -10.982 8.377 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.434 -12.476 9.028 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.410 -12.537 7.277 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.182 -11.007 6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.442 -12.072 10.190 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.600 -10.420 6.015 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.874 -11.548 10.168 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.949 -10.724 8.081 1.00 0.00 H new ATOM 699 N ALA A 46 2.576 -9.566 10.277 1.00 0.00 N ATOM 700 CA ALA A 46 2.904 -8.647 11.367 1.00 0.00 C ATOM 701 C ALA A 46 4.417 -8.529 11.609 1.00 0.00 C ATOM 702 O ALA A 46 5.051 -9.413 12.187 1.00 0.00 O ATOM 703 CB ALA A 46 2.216 -9.117 12.636 1.00 0.00 C ATOM 0 H ALA A 46 1.813 -10.202 10.509 1.00 0.00 H new ATOM 0 HA ALA A 46 2.551 -7.656 11.081 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.456 -8.437 13.453 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.137 -9.132 12.481 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.560 -10.120 12.886 1.00 0.00 H new ATOM 709 N GLY A 47 5.004 -7.435 11.143 1.00 0.00 N ATOM 710 CA GLY A 47 6.452 -7.263 11.141 1.00 0.00 C ATOM 711 C GLY A 47 6.823 -5.790 11.163 1.00 0.00 C ATOM 712 O GLY A 47 7.618 -5.337 11.995 1.00 0.00 O ATOM 0 H GLY A 47 4.492 -6.642 10.756 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.883 -7.764 12.008 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.877 -7.736 10.256 1.00 0.00 H new ATOM 716 N ASP A 48 6.193 -5.012 10.285 1.00 0.00 N ATOM 717 CA ASP A 48 6.429 -3.585 10.203 1.00 0.00 C ATOM 718 C ASP A 48 5.683 -2.923 11.360 1.00 0.00 C ATOM 719 O ASP A 48 4.516 -3.213 11.627 1.00 0.00 O ATOM 720 CB ASP A 48 5.988 -3.021 8.846 1.00 0.00 C ATOM 721 CG ASP A 48 6.448 -3.903 7.698 1.00 0.00 C ATOM 722 OD1 ASP A 48 5.783 -4.945 7.517 1.00 0.00 O ATOM 723 OD2 ASP A 48 7.460 -3.516 7.075 1.00 0.00 O ATOM 0 H ASP A 48 5.507 -5.359 9.615 1.00 0.00 H new ATOM 0 HA ASP A 48 7.496 -3.376 10.283 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.902 -2.931 8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.393 -2.017 8.719 1.00 0.00 H new ATOM 728 N HIS A 49 6.360 -2.034 12.086 1.00 0.00 N ATOM 729 CA HIS A 49 5.792 -1.259 13.199 1.00 0.00 C ATOM 730 C HIS A 49 4.696 -0.288 12.723 1.00 0.00 C ATOM 731 O HIS A 49 4.943 0.909 12.597 1.00 0.00 O ATOM 732 CB HIS A 49 6.905 -0.491 13.937 1.00 0.00 C ATOM 733 CG HIS A 49 8.011 -1.356 14.484 1.00 0.00 C ATOM 734 ND1 HIS A 49 8.077 -1.841 15.776 1.00 0.00 N ATOM 735 CD2 HIS A 49 9.115 -1.781 13.794 1.00 0.00 C ATOM 736 CE1 HIS A 49 9.219 -2.561 15.873 1.00 0.00 C ATOM 737 NE2 HIS A 49 9.863 -2.540 14.678 1.00 0.00 N ATOM 0 H HIS A 49 7.344 -1.824 11.916 1.00 0.00 H new ATOM 0 HA HIS A 49 5.327 -1.965 13.887 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.338 0.240 13.254 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.458 0.067 14.760 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.355 -1.566 12.763 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.563 -3.071 16.760 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.747 -3.004 14.467 1.00 0.00 H new ATOM 746 N ILE A 50 3.483 -0.789 12.494 1.00 0.00 N ATOM 747 CA ILE A 50 2.329 -0.042 11.967 1.00 0.00 C ATOM 748 C ILE A 50 1.134 -0.227 12.907 1.00 0.00 C ATOM 749 O ILE A 50 1.091 -1.153 13.714 1.00 0.00 O ATOM 750 CB ILE A 50 1.986 -0.437 10.497 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.263 -0.592 9.641 1.00 0.00 C ATOM 752 CG2 ILE A 50 1.020 0.625 9.905 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.028 -0.554 8.129 1.00 0.00 C ATOM 0 H ILE A 50 3.262 -1.768 12.677 1.00 0.00 H new ATOM 0 HA ILE A 50 2.589 1.016 11.931 1.00 0.00 H new ATOM 0 HB ILE A 50 1.493 -1.409 10.489 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.961 0.202 9.907 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.743 -1.537 9.897 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.773 0.359 8.877 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.108 0.659 10.500 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.500 1.603 9.921 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.979 -0.670 7.610 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.358 -1.365 7.844 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.579 0.401 7.854 1.00 0.00 H new ATOM 765 N ARG A 51 0.142 0.664 12.819 1.00 0.00 N ATOM 766 CA ARG A 51 -1.092 0.637 13.548 1.00 0.00 C ATOM 767 C ARG A 51 -2.189 1.145 12.616 1.00 0.00 C ATOM 768 O ARG A 51 -2.228 2.283 12.173 1.00 0.00 O ATOM 769 CB ARG A 51 -0.891 1.416 14.852 1.00 0.00 C ATOM 770 CG ARG A 51 -1.304 2.884 14.785 1.00 0.00 C ATOM 771 CD ARG A 51 -0.467 3.733 13.805 1.00 0.00 C ATOM 772 NE ARG A 51 0.791 4.213 14.382 1.00 0.00 N ATOM 773 CZ ARG A 51 1.479 5.263 13.964 1.00 0.00 C ATOM 774 NH1 ARG A 51 1.092 5.982 12.946 1.00 0.00 N ATOM 775 NH2 ARG A 51 2.571 5.607 14.566 1.00 0.00 N ATOM 0 H ARG A 51 0.201 1.467 12.192 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.409 -0.359 13.858 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.460 0.928 15.643 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.160 1.360 15.135 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.353 2.942 14.494 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.226 3.318 15.782 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.248 3.140 12.917 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.059 4.588 13.479 1.00 0.00 H new ATOM 0 HE ARG A 51 1.169 3.693 15.174 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.236 5.740 12.447 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.646 6.786 12.649 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.904 5.068 15.365 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.099 6.417 14.241 1.00 0.00 H new ATOM 789 N TRP A 52 -3.121 0.287 12.357 1.00 0.00 N ATOM 790 CA TRP A 52 -4.333 0.695 11.617 1.00 0.00 C ATOM 791 C TRP A 52 -5.509 1.042 12.538 1.00 0.00 C ATOM 792 O TRP A 52 -6.631 1.202 12.075 1.00 0.00 O ATOM 793 CB TRP A 52 -4.681 -0.409 10.657 1.00 0.00 C ATOM 794 CG TRP A 52 -3.514 -0.935 9.882 1.00 0.00 C ATOM 795 CD1 TRP A 52 -2.666 -1.916 10.274 1.00 0.00 C ATOM 796 CD2 TRP A 52 -3.018 -0.456 8.602 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.682 -2.076 9.314 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.860 -1.211 8.257 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.416 0.566 7.721 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -1.163 -1.005 7.062 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.696 0.810 6.540 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.622 -0.015 6.172 1.00 0.00 C ATOM 0 H TRP A 52 -3.095 -0.695 12.631 1.00 0.00 H new ATOM 0 HA TRP A 52 -4.124 1.616 11.073 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -5.134 -1.230 11.213 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -5.433 -0.044 9.958 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.745 -2.483 11.190 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.920 -2.751 9.381 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.282 1.168 7.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.289 -1.594 6.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.972 1.641 5.908 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.149 0.109 5.209 1.00 0.00 H new ATOM 813 N GLY A 53 -5.272 1.067 13.856 1.00 0.00 N ATOM 814 CA GLY A 53 -6.304 1.245 14.886 1.00 0.00 C ATOM 815 C GLY A 53 -7.188 0.014 15.107 1.00 0.00 C ATOM 816 O GLY A 53 -7.643 -0.212 16.224 1.00 0.00 O ATOM 0 H GLY A 53 -4.335 0.962 14.245 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.821 1.505 15.828 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.937 2.088 14.609 1.00 0.00 H new ATOM 820 N VAL A 54 -7.438 -0.780 14.058 1.00 0.00 N ATOM 821 CA VAL A 54 -8.199 -2.025 14.162 1.00 0.00 C ATOM 822 C VAL A 54 -7.484 -3.006 15.101 1.00 0.00 C ATOM 823 O VAL A 54 -6.260 -3.131 15.066 1.00 0.00 O ATOM 824 CB VAL A 54 -8.456 -2.638 12.759 1.00 0.00 C ATOM 825 CG1 VAL A 54 -7.205 -3.211 12.061 1.00 0.00 C ATOM 826 CG2 VAL A 54 -9.603 -3.679 12.785 1.00 0.00 C ATOM 0 H VAL A 54 -7.116 -0.574 13.112 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.176 -1.807 14.594 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.764 -1.790 12.147 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.484 -3.616 11.088 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.469 -2.419 11.926 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.777 -4.003 12.675 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.750 -4.083 11.784 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.345 -4.488 13.469 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.522 -3.199 13.121 1.00 0.00 H new ATOM 836 N ASN A 55 -8.271 -3.806 15.819 1.00 0.00 N ATOM 837 CA ASN A 55 -7.774 -4.925 16.621 1.00 0.00 C ATOM 838 C ASN A 55 -7.636 -6.260 15.835 1.00 0.00 C ATOM 839 O ASN A 55 -7.475 -7.348 16.383 1.00 0.00 O ATOM 840 CB ASN A 55 -8.680 -5.078 17.841 1.00 0.00 C ATOM 841 CG ASN A 55 -8.342 -4.067 18.923 1.00 0.00 C ATOM 842 OD1 ASN A 55 -7.232 -3.852 19.363 1.00 0.00 O ATOM 843 ND2 ASN A 55 -9.331 -3.396 19.437 1.00 0.00 N ATOM 0 H ASN A 55 -9.284 -3.695 15.861 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.755 -4.691 16.928 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.720 -4.954 17.540 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.582 -6.087 18.242 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.157 -2.720 20.181 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.281 -3.546 19.096 1.00 0.00 H new ATOM 850 N ASN A 56 -7.838 -6.222 14.514 1.00 0.00 N ATOM 851 CA ASN A 56 -7.748 -7.415 13.666 1.00 0.00 C ATOM 852 C ASN A 56 -6.407 -7.495 12.929 1.00 0.00 C ATOM 853 O ASN A 56 -5.890 -8.588 12.718 1.00 0.00 O ATOM 854 CB ASN A 56 -8.912 -7.405 12.660 1.00 0.00 C ATOM 855 CG ASN A 56 -9.305 -8.814 12.235 1.00 0.00 C ATOM 856 OD1 ASN A 56 -9.315 -9.770 12.989 1.00 0.00 O ATOM 857 ND2 ASN A 56 -9.691 -9.001 11.002 1.00 0.00 N ATOM 0 H ASN A 56 -8.067 -5.368 14.005 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.814 -8.296 14.305 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.773 -6.906 13.105 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.628 -6.826 11.781 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.989 -9.927 10.696 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.695 -8.221 10.345 1.00 0.00 H new ATOM 864 N CYS A 57 -5.889 -6.341 12.492 1.00 0.00 N ATOM 865 CA CYS A 57 -4.596 -6.244 11.828 1.00 0.00 C ATOM 866 C CYS A 57 -3.442 -6.181 12.813 1.00 0.00 C ATOM 867 O CYS A 57 -2.399 -6.707 12.456 1.00 0.00 O ATOM 868 CB CYS A 57 -4.534 -5.003 10.941 1.00 0.00 C ATOM 869 SG CYS A 57 -5.377 -5.262 9.360 1.00 0.00 S ATOM 0 H CYS A 57 -6.364 -5.444 12.593 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.496 -7.148 11.227 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.990 -4.161 11.462 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.492 -4.739 10.758 1.00 0.00 H new ATOM 874 N ASP A 58 -3.617 -5.556 13.995 1.00 0.00 N ATOM 875 CA ASP A 58 -2.602 -5.513 15.068 1.00 0.00 C ATOM 876 C ASP A 58 -2.017 -6.880 15.428 1.00 0.00 C ATOM 877 O ASP A 58 -0.853 -6.945 15.826 1.00 0.00 O ATOM 878 CB ASP A 58 -3.161 -4.848 16.347 1.00 0.00 C ATOM 879 CG ASP A 58 -3.807 -5.834 17.350 1.00 0.00 C ATOM 880 OD1 ASP A 58 -3.081 -6.583 18.039 1.00 0.00 O ATOM 881 OD2 ASP A 58 -5.047 -5.888 17.346 1.00 0.00 O ATOM 0 H ASP A 58 -4.476 -5.061 14.234 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.790 -4.913 14.658 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.352 -4.316 16.849 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.903 -4.103 16.060 1.00 0.00 H new ATOM 886 N LYS A 59 -2.833 -7.938 15.254 1.00 0.00 N ATOM 887 CA LYS A 59 -2.505 -9.339 15.514 1.00 0.00 C ATOM 888 C LYS A 59 -1.140 -9.696 14.945 1.00 0.00 C ATOM 889 O LYS A 59 -0.781 -9.277 13.848 1.00 0.00 O ATOM 890 CB LYS A 59 -3.549 -10.273 14.873 1.00 0.00 C ATOM 891 CG LYS A 59 -4.761 -10.547 15.773 1.00 0.00 C ATOM 892 CD LYS A 59 -5.684 -11.592 15.117 1.00 0.00 C ATOM 893 CE LYS A 59 -5.187 -13.020 15.421 1.00 0.00 C ATOM 894 NZ LYS A 59 -5.787 -14.015 14.498 1.00 0.00 N ATOM 0 H LYS A 59 -3.787 -7.824 14.910 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.500 -9.470 16.596 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.894 -9.832 13.938 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.072 -11.220 14.622 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.427 -10.906 16.746 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.311 -9.622 15.946 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.702 -11.469 15.486 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.714 -11.433 14.039 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.101 -13.053 15.337 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.435 -13.281 16.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.431 -14.964 14.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.822 -14.000 14.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.529 -13.780 13.518 1.00 0.00 H new ATOM 908 N ALA A 60 -0.467 -10.623 15.617 1.00 0.00 N ATOM 909 CA ALA A 60 0.876 -11.019 15.205 1.00 0.00 C ATOM 910 C ALA A 60 0.836 -12.180 14.188 1.00 0.00 C ATOM 911 O ALA A 60 1.425 -12.137 13.111 1.00 0.00 O ATOM 912 CB ALA A 60 1.698 -11.339 16.449 1.00 0.00 C ATOM 0 H ALA A 60 -0.823 -11.110 16.440 1.00 0.00 H new ATOM 0 HA ALA A 60 1.361 -10.196 14.681 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.704 -11.636 16.154 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.753 -10.456 17.086 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.225 -12.154 16.998 1.00 0.00 H new ATOM 918 N ASP A 61 0.030 -13.199 14.489 1.00 0.00 N ATOM 919 CA ASP A 61 -0.152 -14.401 13.658 1.00 0.00 C ATOM 920 C ASP A 61 -1.321 -14.216 12.661 1.00 0.00 C ATOM 921 O ASP A 61 -2.115 -15.118 12.380 1.00 0.00 O ATOM 922 CB ASP A 61 -0.351 -15.620 14.570 1.00 0.00 C ATOM 923 CG ASP A 61 0.962 -16.073 15.199 1.00 0.00 C ATOM 924 OD1 ASP A 61 1.775 -16.657 14.448 1.00 0.00 O ATOM 925 OD2 ASP A 61 1.106 -15.836 16.418 1.00 0.00 O ATOM 0 H ASP A 61 -0.532 -13.216 15.340 1.00 0.00 H new ATOM 0 HA ASP A 61 0.741 -14.567 13.055 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.065 -15.374 15.356 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.781 -16.440 13.994 1.00 0.00 H new ATOM 930 N ALA A 62 -1.523 -12.985 12.189 1.00 0.00 N ATOM 931 CA ALA A 62 -2.524 -12.672 11.178 1.00 0.00 C ATOM 932 C ALA A 62 -1.967 -12.796 9.745 1.00 0.00 C ATOM 933 O ALA A 62 -0.761 -12.797 9.491 1.00 0.00 O ATOM 934 CB ALA A 62 -3.099 -11.277 11.461 1.00 0.00 C ATOM 0 H ALA A 62 -0.990 -12.174 12.502 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.329 -13.405 11.239 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.850 -11.033 10.709 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.559 -11.267 12.449 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.298 -10.539 11.426 1.00 0.00 H new ATOM 940 N ILE A 63 -2.889 -12.875 8.786 1.00 0.00 N ATOM 941 CA ILE A 63 -2.598 -13.055 7.364 1.00 0.00 C ATOM 942 C ILE A 63 -3.103 -11.824 6.636 1.00 0.00 C ATOM 943 O ILE A 63 -4.299 -11.694 6.376 1.00 0.00 O ATOM 944 CB ILE A 63 -3.180 -14.376 6.797 1.00 0.00 C ATOM 945 CG1 ILE A 63 -2.725 -15.600 7.622 1.00 0.00 C ATOM 946 CG2 ILE A 63 -2.732 -14.490 5.321 1.00 0.00 C ATOM 947 CD1 ILE A 63 -3.661 -15.893 8.815 1.00 0.00 C ATOM 0 H ILE A 63 -3.888 -12.814 8.983 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.523 -13.153 7.214 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.268 -14.360 6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.684 -16.475 6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.714 -15.429 7.992 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.126 -15.411 4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.111 -13.636 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.643 -14.503 5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.294 -16.763 9.360 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.683 -15.030 9.481 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.667 -16.093 8.447 1.00 0.00 H new ATOM 959 N LEU A 64 -2.208 -10.889 6.357 1.00 0.00 N ATOM 960 CA LEU A 64 -2.513 -9.719 5.550 1.00 0.00 C ATOM 961 C LEU A 64 -1.848 -9.851 4.183 1.00 0.00 C ATOM 962 O LEU A 64 -1.177 -10.843 3.879 1.00 0.00 O ATOM 963 CB LEU A 64 -2.081 -8.449 6.305 1.00 0.00 C ATOM 964 CG LEU A 64 -3.045 -7.905 7.360 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.015 -8.736 8.648 1.00 0.00 C ATOM 966 CD2 LEU A 64 -2.697 -6.435 7.595 1.00 0.00 C ATOM 0 H LEU A 64 -1.243 -10.921 6.687 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.586 -9.642 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.127 -8.652 6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.904 -7.663 5.571 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.073 -7.980 7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.715 -8.314 9.370 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.300 -9.764 8.424 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.009 -8.722 9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.369 -6.017 8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.668 -6.356 7.946 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.805 -5.882 6.662 1.00 0.00 H new ATOM 978 N TRP A 65 -2.058 -8.841 3.353 1.00 0.00 N ATOM 979 CA TRP A 65 -1.480 -8.695 2.036 1.00 0.00 C ATOM 980 C TRP A 65 -1.262 -7.230 1.704 1.00 0.00 C ATOM 981 O TRP A 65 -1.951 -6.369 2.249 1.00 0.00 O ATOM 982 CB TRP A 65 -2.463 -9.299 1.055 1.00 0.00 C ATOM 983 CG TRP A 65 -2.561 -10.783 1.082 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.283 -11.510 1.958 1.00 0.00 C ATOM 985 CD2 TRP A 65 -1.867 -11.736 0.232 1.00 0.00 C ATOM 986 NE1 TRP A 65 -3.057 -12.854 1.716 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.204 -13.048 0.646 1.00 0.00 C ATOM 988 CE3 TRP A 65 -0.970 -11.618 -0.840 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -1.675 -14.182 0.005 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.407 -12.735 -1.485 1.00 0.00 C ATOM 991 CH2 TRP A 65 -0.775 -14.030 -1.075 1.00 0.00 C ATOM 0 H TRP A 65 -2.670 -8.062 3.598 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.511 -9.193 1.988 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.451 -8.883 1.254 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.183 -8.989 0.048 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -3.931 -11.109 2.723 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.470 -13.610 2.262 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.701 -10.630 -1.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.956 -15.170 0.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.302 -12.599 -2.288 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.375 -14.897 -1.579 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.342 -6.978 0.776 1.00 0.00 N ATOM 1003 CA GLU A 66 0.072 -5.658 0.309 1.00 0.00 C ATOM 1004 C GLU A 66 0.071 -5.588 -1.223 1.00 0.00 C ATOM 1005 O GLU A 66 0.528 -6.514 -1.913 1.00 0.00 O ATOM 1006 CB GLU A 66 1.433 -5.252 0.895 1.00 0.00 C ATOM 1007 CG GLU A 66 2.507 -6.293 0.609 1.00 0.00 C ATOM 1008 CD GLU A 66 3.856 -5.885 1.158 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.419 -4.949 0.540 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.321 -6.561 2.094 1.00 0.00 O ATOM 0 H GLU A 66 0.161 -7.730 0.305 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.660 -4.936 0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.737 -4.292 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.338 -5.114 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.212 -7.247 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.585 -6.446 -0.467 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.390 -4.464 -1.770 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.476 -4.270 -3.217 1.00 0.00 C ATOM 1019 C TYR A 67 -0.158 -2.833 -3.622 1.00 0.00 C ATOM 1020 O TYR A 67 -0.510 -1.914 -2.896 1.00 0.00 O ATOM 1021 CB TYR A 67 -1.881 -4.633 -3.720 1.00 0.00 C ATOM 1022 CG TYR A 67 -1.865 -5.218 -5.106 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.276 -6.465 -5.249 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -2.288 -4.506 -6.245 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -1.218 -7.051 -6.531 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -2.199 -5.071 -7.539 1.00 0.00 C ATOM 1027 CZ TYR A 67 -1.654 -6.366 -7.677 1.00 0.00 C ATOM 1028 OH TYR A 67 -1.617 -7.026 -8.867 1.00 0.00 O ATOM 0 H TYR A 67 -0.713 -3.665 -1.225 1.00 0.00 H new ATOM 0 HA TYR A 67 0.266 -4.926 -3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.336 -5.347 -3.033 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.507 -3.741 -3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.868 -6.980 -4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.688 -3.510 -6.128 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.828 -8.053 -6.634 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.541 -4.522 -8.404 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.285 -6.424 -9.565 1.00 0.00 H new ATOM 1038 N PRO A 68 0.544 -2.588 -4.729 1.00 0.00 N ATOM 1039 CA PRO A 68 0.887 -1.245 -5.194 1.00 0.00 C ATOM 1040 C PRO A 68 -0.356 -0.445 -5.577 1.00 0.00 C ATOM 1041 O PRO A 68 -1.364 -1.008 -5.991 1.00 0.00 O ATOM 1042 CB PRO A 68 1.794 -1.476 -6.389 1.00 0.00 C ATOM 1043 CG PRO A 68 1.366 -2.857 -6.891 1.00 0.00 C ATOM 1044 CD PRO A 68 0.974 -3.595 -5.658 1.00 0.00 C ATOM 0 HA PRO A 68 1.374 -0.655 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.657 -0.710 -7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.846 -1.459 -6.105 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.534 -2.785 -7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.180 -3.360 -7.413 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.174 -4.306 -5.864 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.813 -4.165 -5.258 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.261 0.878 -5.451 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.332 1.816 -5.795 1.00 0.00 C ATOM 1054 C ILE A 69 -0.743 3.090 -6.406 1.00 0.00 C ATOM 1055 O ILE A 69 0.338 3.568 -6.048 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.197 2.130 -4.548 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -3.269 3.197 -4.851 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -1.332 2.557 -3.366 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -4.004 3.751 -3.624 1.00 0.00 C ATOM 0 H ILE A 69 0.579 1.338 -5.100 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.981 1.357 -6.540 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.712 1.209 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.795 4.026 -5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.004 2.767 -5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.969 2.770 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.639 1.754 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.769 3.452 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.736 4.493 -3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.513 2.938 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.286 4.216 -2.949 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.500 3.691 -7.308 1.00 0.00 N ATOM 1072 CA TYR A 70 -1.166 4.939 -7.957 1.00 0.00 C ATOM 1073 C TYR A 70 -2.035 6.033 -7.347 1.00 0.00 C ATOM 1074 O TYR A 70 -3.251 5.960 -7.422 1.00 0.00 O ATOM 1075 CB TYR A 70 -1.364 4.758 -9.465 1.00 0.00 C ATOM 1076 CG TYR A 70 -0.438 3.716 -10.085 1.00 0.00 C ATOM 1077 CD1 TYR A 70 -0.635 2.358 -9.774 1.00 0.00 C ATOM 1078 CD2 TYR A 70 0.584 4.079 -10.996 1.00 0.00 C ATOM 1079 CE1 TYR A 70 0.213 1.394 -10.316 1.00 0.00 C ATOM 1080 CE2 TYR A 70 1.453 3.111 -11.532 1.00 0.00 C ATOM 1081 CZ TYR A 70 1.251 1.758 -11.191 1.00 0.00 C ATOM 1082 OH TYR A 70 2.065 0.805 -11.699 1.00 0.00 O ATOM 0 H TYR A 70 -2.393 3.307 -7.616 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.127 5.233 -7.806 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.398 4.471 -9.655 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.203 5.715 -9.961 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.441 2.064 -9.118 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.698 5.114 -11.283 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.071 0.354 -10.061 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.259 3.399 -12.191 1.00 0.00 H new ATOM 0 HH TYR A 70 2.451 0.280 -10.967 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.413 7.010 -6.680 1.00 0.00 N ATOM 1093 CA TRP A 71 -2.094 8.232 -6.216 1.00 0.00 C ATOM 1094 C TRP A 71 -2.745 9.017 -7.362 1.00 0.00 C ATOM 1095 O TRP A 71 -2.510 8.746 -8.536 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.079 9.138 -5.485 1.00 0.00 C ATOM 1097 CG TRP A 71 0.245 9.300 -6.174 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.593 10.218 -7.104 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.413 8.464 -6.002 1.00 0.00 C ATOM 1100 NE1 TRP A 71 1.904 10.012 -7.502 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.467 8.955 -6.819 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.666 7.315 -5.243 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.705 8.303 -6.890 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 2.929 6.721 -5.228 1.00 0.00 C ATOM 1105 CH2 TRP A 71 3.949 7.183 -6.084 1.00 0.00 C ATOM 0 H TRP A 71 -0.421 6.980 -6.444 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.892 7.923 -5.540 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.525 10.124 -5.353 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.905 8.731 -4.489 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.055 10.996 -7.480 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.388 10.568 -8.207 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.869 6.880 -4.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.469 8.662 -7.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 3.126 5.900 -4.555 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.905 6.681 -6.118 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.399 10.129 -7.007 1.00 0.00 N ATOM 1117 CA VAL A 72 -4.039 11.019 -7.996 1.00 0.00 C ATOM 1118 C VAL A 72 -3.122 11.458 -9.146 1.00 0.00 C ATOM 1119 O VAL A 72 -3.552 11.523 -10.287 1.00 0.00 O ATOM 1120 CB VAL A 72 -4.599 12.272 -7.308 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -3.503 13.155 -6.673 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -5.418 13.117 -8.296 1.00 0.00 C ATOM 0 H VAL A 72 -3.502 10.439 -6.041 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.836 10.421 -8.437 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.240 11.910 -6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.963 14.024 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.962 12.580 -5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.809 13.485 -7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.805 13.999 -7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.781 13.426 -9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.250 12.525 -8.679 1.00 0.00 H new ATOM 1132 N GLY A 73 -1.893 11.886 -8.823 1.00 0.00 N ATOM 1133 CA GLY A 73 -0.922 12.428 -9.778 1.00 0.00 C ATOM 1134 C GLY A 73 -0.613 11.435 -10.890 1.00 0.00 C ATOM 1135 O GLY A 73 -0.550 11.795 -12.063 1.00 0.00 O ATOM 0 H GLY A 73 -1.540 11.863 -7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.312 13.349 -10.211 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.002 12.686 -9.254 1.00 0.00 H new ATOM 1139 N LYS A 74 -0.392 10.174 -10.504 1.00 0.00 N ATOM 1140 CA LYS A 74 -0.296 9.077 -11.458 1.00 0.00 C ATOM 1141 C LYS A 74 -1.613 8.827 -12.221 1.00 0.00 C ATOM 1142 O LYS A 74 -2.689 9.219 -11.813 1.00 0.00 O ATOM 1143 CB LYS A 74 0.126 7.829 -10.687 1.00 0.00 C ATOM 1144 CG LYS A 74 1.644 7.707 -10.526 1.00 0.00 C ATOM 1145 CD LYS A 74 2.004 6.721 -9.396 1.00 0.00 C ATOM 1146 CE LYS A 74 3.477 6.306 -9.475 1.00 0.00 C ATOM 1147 NZ LYS A 74 3.678 5.252 -10.497 1.00 0.00 N ATOM 0 H LYS A 74 -0.276 9.892 -9.531 1.00 0.00 H new ATOM 0 HA LYS A 74 0.440 9.336 -12.219 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.338 7.844 -9.701 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.251 6.946 -11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.086 7.369 -11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.070 8.686 -10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.804 7.183 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.370 5.837 -9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.090 7.174 -9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.809 5.942 -8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.115 4.418 -10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.760 4.986 -10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.301 5.611 -11.248 1.00 0.00 H new ATOM 1161 N ASN A 75 -1.499 8.077 -13.314 1.00 0.00 N ATOM 1162 CA ASN A 75 -2.650 7.702 -14.146 1.00 0.00 C ATOM 1163 C ASN A 75 -2.656 6.219 -14.516 1.00 0.00 C ATOM 1164 O ASN A 75 -3.714 5.629 -14.688 1.00 0.00 O ATOM 1165 CB ASN A 75 -2.588 8.552 -15.423 1.00 0.00 C ATOM 1166 CG ASN A 75 -3.868 8.455 -16.234 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -4.764 9.266 -16.124 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -3.985 7.485 -17.109 1.00 0.00 N ATOM 0 H ASN A 75 -0.609 7.710 -13.652 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.564 7.882 -13.580 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.406 9.593 -15.157 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.746 8.227 -16.034 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.822 7.418 -17.688 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.239 6.797 -17.211 1.00 0.00 H new ATOM 1175 N ALA A 76 -1.470 5.644 -14.743 1.00 0.00 N ATOM 1176 CA ALA A 76 -1.336 4.222 -15.029 1.00 0.00 C ATOM 1177 C ALA A 76 -1.813 3.357 -13.848 1.00 0.00 C ATOM 1178 O ALA A 76 -2.042 3.849 -12.744 1.00 0.00 O ATOM 1179 CB ALA A 76 0.132 3.918 -15.364 1.00 0.00 C ATOM 0 H ALA A 76 -0.585 6.152 -14.733 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.969 3.975 -15.881 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.243 2.855 -15.580 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.434 4.499 -16.235 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.762 4.184 -14.515 1.00 0.00 H new ATOM 1185 N GLU A 77 -1.830 2.047 -14.051 1.00 0.00 N ATOM 1186 CA GLU A 77 -2.261 1.101 -13.028 1.00 0.00 C ATOM 1187 C GLU A 77 -1.361 -0.132 -13.028 1.00 0.00 C ATOM 1188 O GLU A 77 -0.674 -0.412 -14.019 1.00 0.00 O ATOM 1189 CB GLU A 77 -3.726 0.725 -13.302 1.00 0.00 C ATOM 1190 CG GLU A 77 -4.472 0.385 -12.008 1.00 0.00 C ATOM 1191 CD GLU A 77 -5.811 -0.336 -12.273 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -5.780 -1.501 -12.739 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -6.876 0.191 -11.897 1.00 0.00 O ATOM 0 H GLU A 77 -1.546 1.609 -14.928 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.185 1.555 -12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.227 1.552 -13.805 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.763 -0.129 -13.979 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.840 -0.246 -11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.660 1.301 -11.449 1.00 0.00 H new ATOM 1200 N TRP A 78 -1.371 -0.870 -11.916 1.00 0.00 N ATOM 1201 CA TRP A 78 -0.628 -2.112 -11.803 1.00 0.00 C ATOM 1202 C TRP A 78 -1.336 -3.268 -12.517 1.00 0.00 C ATOM 1203 O TRP A 78 -2.540 -3.477 -12.391 1.00 0.00 O ATOM 1204 CB TRP A 78 -0.400 -2.472 -10.333 1.00 0.00 C ATOM 1205 CG TRP A 78 0.947 -3.096 -10.168 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.211 -4.410 -10.287 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.217 -2.467 -9.795 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.554 -4.634 -10.079 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.200 -3.483 -9.679 1.00 0.00 C ATOM 1210 CE3 TRP A 78 2.616 -1.176 -9.399 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.480 -3.230 -9.165 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 3.910 -0.881 -8.919 1.00 0.00 C ATOM 1213 CH2 TRP A 78 4.860 -1.915 -8.806 1.00 0.00 C ATOM 0 H TRP A 78 -1.894 -0.619 -11.077 1.00 0.00 H new ATOM 0 HA TRP A 78 0.335 -1.955 -12.289 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -0.475 -1.578 -9.714 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -1.174 -3.160 -9.993 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.481 -5.173 -10.512 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.013 -5.536 -10.205 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.897 -0.373 -9.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.180 -4.043 -9.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.170 0.130 -8.640 1.00 0.00 H new ATOM 0 HH2 TRP A 78 5.859 -1.708 -8.452 1.00 0.00 H new ATOM 1224 N ALA A 79 -0.561 -4.109 -13.194 1.00 0.00 N ATOM 1225 CA ALA A 79 -1.069 -5.323 -13.830 1.00 0.00 C ATOM 1226 C ALA A 79 -1.178 -6.521 -12.861 1.00 0.00 C ATOM 1227 O ALA A 79 -0.895 -6.443 -11.669 1.00 0.00 O ATOM 1228 CB ALA A 79 -0.221 -5.614 -15.081 1.00 0.00 C ATOM 0 H ALA A 79 0.442 -3.969 -13.318 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.100 -5.156 -14.141 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.588 -6.518 -15.567 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.293 -4.775 -15.773 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.820 -5.756 -14.790 1.00 0.00 H new ATOM 1234 N LYS A 80 -1.614 -7.667 -13.386 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.660 -8.931 -12.633 1.00 0.00 C ATOM 1236 C LYS A 80 -0.325 -9.676 -12.674 1.00 0.00 C ATOM 1237 O LYS A 80 0.207 -10.059 -11.633 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.790 -9.810 -13.191 1.00 0.00 C ATOM 1239 CG LYS A 80 -4.144 -9.433 -12.558 1.00 0.00 C ATOM 1240 CD LYS A 80 -4.874 -8.294 -13.287 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.464 -8.812 -14.609 1.00 0.00 C ATOM 1242 NZ LYS A 80 -6.355 -7.800 -15.223 1.00 0.00 N ATOM 0 H LYS A 80 -1.947 -7.750 -14.347 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.856 -8.698 -11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.845 -9.694 -14.273 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.571 -10.859 -12.993 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.786 -10.314 -12.545 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.981 -9.142 -11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.668 -7.896 -12.655 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.183 -7.474 -13.484 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.658 -9.059 -15.300 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.021 -9.731 -14.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.741 -8.172 -16.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.136 -7.584 -14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.814 -6.933 -15.416 1.00 0.00 H new ATOM 1256 N ASP A 81 0.216 -9.899 -13.869 1.00 0.00 N ATOM 1257 CA ASP A 81 1.453 -10.635 -14.126 1.00 0.00 C ATOM 1258 C ASP A 81 2.606 -9.674 -14.484 1.00 0.00 C ATOM 1259 O ASP A 81 3.289 -9.790 -15.494 1.00 0.00 O ATOM 1260 CB ASP A 81 1.217 -11.738 -15.164 1.00 0.00 C ATOM 1261 CG ASP A 81 0.888 -11.167 -16.545 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -0.118 -10.414 -16.598 1.00 0.00 O ATOM 1263 OD2 ASP A 81 1.611 -11.505 -17.501 1.00 0.00 O ATOM 0 H ASP A 81 -0.216 -9.555 -14.726 1.00 0.00 H new ATOM 0 HA ASP A 81 1.768 -11.141 -13.213 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.105 -12.366 -15.234 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.400 -12.378 -14.833 1.00 0.00 H new ATOM 1268 N VAL A 82 2.898 -8.725 -13.594 1.00 0.00 N ATOM 1269 CA VAL A 82 4.002 -7.792 -13.808 1.00 0.00 C ATOM 1270 C VAL A 82 4.773 -7.572 -12.520 1.00 0.00 C ATOM 1271 O VAL A 82 4.208 -7.248 -11.478 1.00 0.00 O ATOM 1272 CB VAL A 82 3.456 -6.487 -14.407 1.00 0.00 C ATOM 1273 CG1 VAL A 82 4.515 -5.389 -14.344 1.00 0.00 C ATOM 1274 CG2 VAL A 82 3.040 -6.682 -15.878 1.00 0.00 C ATOM 0 H VAL A 82 2.388 -8.583 -12.722 1.00 0.00 H new ATOM 0 HA VAL A 82 4.712 -8.211 -14.521 1.00 0.00 H new ATOM 0 HB VAL A 82 2.583 -6.199 -13.821 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.113 -4.471 -14.772 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.795 -5.213 -13.305 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.394 -5.698 -14.909 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.657 -5.742 -16.276 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.905 -6.998 -16.462 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.263 -7.444 -15.938 1.00 0.00 H new ATOM 1284 N LYS A 83 6.099 -7.692 -12.607 1.00 0.00 N ATOM 1285 CA LYS A 83 6.974 -7.346 -11.487 1.00 0.00 C ATOM 1286 C LYS A 83 7.232 -5.843 -11.445 1.00 0.00 C ATOM 1287 O LYS A 83 7.291 -5.208 -12.490 1.00 0.00 O ATOM 1288 CB LYS A 83 8.289 -8.120 -11.651 1.00 0.00 C ATOM 1289 CG LYS A 83 9.005 -8.307 -10.306 1.00 0.00 C ATOM 1290 CD LYS A 83 8.277 -9.355 -9.441 1.00 0.00 C ATOM 1291 CE LYS A 83 9.118 -9.762 -8.227 1.00 0.00 C ATOM 1292 NZ LYS A 83 10.358 -10.474 -8.639 1.00 0.00 N ATOM 0 H LYS A 83 6.588 -8.025 -13.438 1.00 0.00 H new ATOM 0 HA LYS A 83 6.497 -7.618 -10.545 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.085 -9.095 -12.094 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.943 -7.586 -12.341 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.034 -8.622 -10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.046 -7.356 -9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.322 -8.951 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.056 -10.236 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.381 -8.875 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.528 -10.404 -7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.736 -11.009 -7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.140 -11.129 -9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.066 -9.782 -8.957 1.00 0.00 H new ATOM 1306 N THR A 84 7.518 -5.302 -10.258 1.00 0.00 N ATOM 1307 CA THR A 84 7.890 -3.890 -9.993 1.00 0.00 C ATOM 1308 C THR A 84 8.818 -3.271 -11.025 1.00 0.00 C ATOM 1309 O THR A 84 8.496 -2.225 -11.557 1.00 0.00 O ATOM 1310 CB THR A 84 8.557 -3.702 -8.624 1.00 0.00 C ATOM 1311 OG1 THR A 84 9.735 -4.476 -8.535 1.00 0.00 O ATOM 1312 CG2 THR A 84 7.657 -4.098 -7.455 1.00 0.00 C ATOM 0 H THR A 84 7.498 -5.858 -9.403 1.00 0.00 H new ATOM 0 HA THR A 84 6.928 -3.380 -10.035 1.00 0.00 H new ATOM 0 HB THR A 84 8.775 -2.636 -8.551 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.148 -4.343 -7.656 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.189 -3.941 -6.517 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.755 -3.487 -7.467 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.384 -5.149 -7.546 1.00 0.00 H new ATOM 1320 N SER A 85 9.962 -3.899 -11.294 1.00 0.00 N ATOM 1321 CA SER A 85 10.895 -3.453 -12.333 1.00 0.00 C ATOM 1322 C SER A 85 10.225 -3.294 -13.700 1.00 0.00 C ATOM 1323 O SER A 85 10.293 -2.228 -14.298 1.00 0.00 O ATOM 1324 CB SER A 85 12.024 -4.467 -12.451 1.00 0.00 C ATOM 1325 OG SER A 85 12.905 -4.064 -13.470 1.00 0.00 O ATOM 0 H SER A 85 10.271 -4.734 -10.797 1.00 0.00 H new ATOM 0 HA SER A 85 11.271 -2.474 -12.037 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.557 -4.547 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.620 -5.455 -12.673 1.00 0.00 H new ATOM 0 HG SER A 85 13.634 -4.714 -13.548 1.00 0.00 H new ATOM 1331 N GLN A 86 9.602 -4.365 -14.203 1.00 0.00 N ATOM 1332 CA GLN A 86 8.859 -4.342 -15.460 1.00 0.00 C ATOM 1333 C GLN A 86 7.759 -3.279 -15.497 1.00 0.00 C ATOM 1334 O GLN A 86 7.531 -2.739 -16.586 1.00 0.00 O ATOM 1335 CB GLN A 86 8.263 -5.728 -15.731 1.00 0.00 C ATOM 1336 CG GLN A 86 7.462 -5.728 -17.048 1.00 0.00 C ATOM 1337 CD GLN A 86 7.428 -7.116 -17.655 1.00 0.00 C ATOM 1338 OE1 GLN A 86 8.345 -7.506 -18.353 1.00 0.00 O ATOM 1339 NE2 GLN A 86 6.399 -7.892 -17.403 1.00 0.00 N ATOM 0 H GLN A 86 9.601 -5.276 -13.744 1.00 0.00 H new ATOM 0 HA GLN A 86 9.569 -4.075 -16.242 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.061 -6.468 -15.785 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.614 -6.018 -14.905 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.445 -5.383 -16.861 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.912 -5.029 -17.753 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.636 -7.553 -16.816 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.362 -8.833 -17.794 1.00 0.00 H new ATOM 1348 N GLN A 87 7.106 -3.014 -14.353 1.00 0.00 N ATOM 1349 CA GLN A 87 6.042 -2.036 -14.146 1.00 0.00 C ATOM 1350 C GLN A 87 6.341 -0.726 -14.854 1.00 0.00 C ATOM 1351 O GLN A 87 7.149 0.087 -14.412 1.00 0.00 O ATOM 1352 CB GLN A 87 5.781 -1.776 -12.647 1.00 0.00 C ATOM 1353 CG GLN A 87 4.424 -1.141 -12.393 1.00 0.00 C ATOM 1354 CD GLN A 87 3.311 -1.948 -13.032 1.00 0.00 C ATOM 1355 OE1 GLN A 87 2.716 -1.543 -14.009 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.126 -3.179 -12.634 1.00 0.00 N ATOM 0 H GLN A 87 7.328 -3.516 -13.493 1.00 0.00 H new ATOM 0 HA GLN A 87 5.139 -2.467 -14.579 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.845 -2.718 -12.102 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.562 -1.126 -12.253 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.251 -1.065 -11.320 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.415 -0.126 -12.790 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.621 -3.530 -11.814 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.487 -3.789 -13.143 1.00 0.00 H new ATOM 1365 N LYS A 88 5.662 -0.533 -15.981 1.00 0.00 N ATOM 1366 CA LYS A 88 5.908 0.628 -16.829 1.00 0.00 C ATOM 1367 C LYS A 88 5.390 1.885 -16.170 1.00 0.00 C ATOM 1368 O LYS A 88 6.096 2.881 -16.194 1.00 0.00 O ATOM 1369 CB LYS A 88 5.242 0.452 -18.191 1.00 0.00 C ATOM 1370 CG LYS A 88 5.859 -0.707 -18.989 1.00 0.00 C ATOM 1371 CD LYS A 88 7.137 -0.254 -19.710 1.00 0.00 C ATOM 1372 CE LYS A 88 7.737 -1.424 -20.496 1.00 0.00 C ATOM 1373 NZ LYS A 88 8.677 -2.214 -19.658 1.00 0.00 N ATOM 0 H LYS A 88 4.939 -1.164 -16.327 1.00 0.00 H new ATOM 0 HA LYS A 88 6.985 0.718 -16.971 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.176 0.270 -18.052 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.336 1.376 -18.762 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.089 -1.535 -18.318 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.137 -1.078 -19.717 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.910 0.571 -20.386 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.861 0.118 -18.985 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.937 -2.071 -20.857 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.260 -1.045 -21.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.842 -3.140 -20.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.580 -1.704 -19.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.267 -2.351 -18.712 1.00 0.00 H new ATOM 1387 N GLY A 89 4.182 1.818 -15.591 1.00 0.00 N ATOM 1388 CA GLY A 89 3.490 2.932 -14.936 1.00 0.00 C ATOM 1389 C GLY A 89 4.400 3.772 -14.041 1.00 0.00 C ATOM 1390 O GLY A 89 4.417 4.996 -14.114 1.00 0.00 O ATOM 0 H GLY A 89 3.642 0.953 -15.567 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.050 3.575 -15.698 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.668 2.538 -14.338 1.00 0.00 H new ATOM 1394 N GLY A 90 5.111 3.106 -13.137 1.00 0.00 N ATOM 1395 CA GLY A 90 6.179 3.706 -12.353 1.00 0.00 C ATOM 1396 C GLY A 90 6.185 3.172 -10.925 1.00 0.00 C ATOM 1397 O GLY A 90 5.141 2.707 -10.450 1.00 0.00 O ATOM 0 H GLY A 90 4.957 2.120 -12.927 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.140 3.499 -12.825 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.058 4.789 -12.338 1.00 0.00 H new ATOM 1401 N PRO A 91 7.290 3.377 -10.199 1.00 0.00 N ATOM 1402 CA PRO A 91 7.438 2.987 -8.807 1.00 0.00 C ATOM 1403 C PRO A 91 6.529 3.813 -7.900 1.00 0.00 C ATOM 1404 O PRO A 91 6.264 4.998 -8.120 1.00 0.00 O ATOM 1405 CB PRO A 91 8.917 3.195 -8.467 1.00 0.00 C ATOM 1406 CG PRO A 91 9.337 4.295 -9.441 1.00 0.00 C ATOM 1407 CD PRO A 91 8.471 4.073 -10.665 1.00 0.00 C ATOM 0 HA PRO A 91 7.143 1.949 -8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.055 3.499 -7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.497 2.284 -8.611 1.00 0.00 H new ATOM 0 HG2 PRO A 91 9.175 5.285 -9.015 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.397 4.224 -9.687 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.206 5.021 -11.132 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.000 3.485 -11.415 1.00 0.00 H new ATOM 1415 N THR A 92 6.011 3.138 -6.881 1.00 0.00 N ATOM 1416 CA THR A 92 5.100 3.697 -5.891 1.00 0.00 C ATOM 1417 C THR A 92 5.374 3.097 -4.501 1.00 0.00 C ATOM 1418 O THR A 92 5.379 1.869 -4.341 1.00 0.00 O ATOM 1419 CB THR A 92 3.617 3.599 -6.287 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.851 3.686 -5.117 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.267 2.349 -7.101 1.00 0.00 C ATOM 0 H THR A 92 6.221 2.154 -6.716 1.00 0.00 H new ATOM 0 HA THR A 92 5.305 4.767 -5.848 1.00 0.00 H new ATOM 0 HB THR A 92 3.390 4.426 -6.960 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.929 3.417 -5.309 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.203 2.356 -7.340 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.846 2.342 -8.025 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.502 1.458 -6.519 1.00 0.00 H new ATOM 1429 N PRO A 93 5.655 3.962 -3.506 1.00 0.00 N ATOM 1430 CA PRO A 93 5.875 3.558 -2.138 1.00 0.00 C ATOM 1431 C PRO A 93 4.585 3.135 -1.463 1.00 0.00 C ATOM 1432 O PRO A 93 4.624 2.261 -0.602 1.00 0.00 O ATOM 1433 CB PRO A 93 6.436 4.801 -1.435 1.00 0.00 C ATOM 1434 CG PRO A 93 5.899 5.968 -2.222 1.00 0.00 C ATOM 1435 CD PRO A 93 5.836 5.395 -3.622 1.00 0.00 C ATOM 0 HA PRO A 93 6.548 2.702 -2.091 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.115 4.845 -0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.526 4.795 -1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.919 6.285 -1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.555 6.836 -2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.012 5.840 -4.180 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.751 5.621 -4.169 1.00 0.00 H new ATOM 1443 N ILE A 94 3.480 3.809 -1.803 1.00 0.00 N ATOM 1444 CA ILE A 94 2.159 3.527 -1.265 1.00 0.00 C ATOM 1445 C ILE A 94 1.741 2.115 -1.690 1.00 0.00 C ATOM 1446 O ILE A 94 1.823 1.755 -2.870 1.00 0.00 O ATOM 1447 CB ILE A 94 1.110 4.586 -1.670 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.539 6.001 -1.257 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.255 4.346 -0.987 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.733 7.112 -1.899 1.00 0.00 C ATOM 0 H ILE A 94 3.487 4.578 -2.473 1.00 0.00 H new ATOM 0 HA ILE A 94 2.211 3.577 -0.177 1.00 0.00 H new ATOM 0 HB ILE A 94 1.026 4.496 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.459 6.090 -0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.590 6.138 -1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.960 5.115 -1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.637 3.365 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.133 4.388 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.103 8.077 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.832 7.054 -2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.316 7.006 -1.624 1.00 0.00 H new ATOM 1462 N ARG A 95 1.290 1.317 -0.727 1.00 0.00 N ATOM 1463 CA ARG A 95 0.740 -0.009 -0.975 1.00 0.00 C ATOM 1464 C ARG A 95 -0.496 -0.258 -0.122 1.00 0.00 C ATOM 1465 O ARG A 95 -0.462 -0.115 1.096 1.00 0.00 O ATOM 1466 CB ARG A 95 1.832 -1.057 -0.738 1.00 0.00 C ATOM 1467 CG ARG A 95 2.677 -1.327 -1.970 1.00 0.00 C ATOM 1468 CD ARG A 95 3.653 -2.465 -1.685 1.00 0.00 C ATOM 1469 NE ARG A 95 4.448 -2.758 -2.894 1.00 0.00 N ATOM 1470 CZ ARG A 95 5.502 -2.087 -3.306 1.00 0.00 C ATOM 1471 NH1 ARG A 95 5.966 -1.071 -2.647 1.00 0.00 N ATOM 1472 NH2 ARG A 95 6.102 -2.418 -4.412 1.00 0.00 N ATOM 0 H ARG A 95 1.297 1.577 0.259 1.00 0.00 H new ATOM 0 HA ARG A 95 0.414 -0.082 -2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.479 -0.722 0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.369 -1.988 -0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.036 -1.587 -2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.224 -0.427 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.313 -2.192 -0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.107 -3.355 -1.374 1.00 0.00 H new ATOM 0 HE ARG A 95 4.153 -3.553 -3.461 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.512 -0.772 -1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.785 -0.571 -2.992 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.756 -3.202 -4.965 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.919 -1.894 -4.726 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.626 -0.560 -0.757 1.00 0.00 N ATOM 1487 CA VAL A 96 -2.846 -0.980 -0.042 1.00 0.00 C ATOM 1488 C VAL A 96 -2.608 -2.242 0.774 1.00 0.00 C ATOM 1489 O VAL A 96 -2.019 -3.186 0.255 1.00 0.00 O ATOM 1490 CB VAL A 96 -4.022 -1.159 -1.009 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -3.787 -2.283 -2.019 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.309 -1.423 -0.221 1.00 0.00 C ATOM 0 H VAL A 96 -1.730 -0.524 -1.771 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.106 -0.184 0.655 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.117 -0.233 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.651 -2.366 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.899 -2.061 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.644 -3.225 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.141 -1.549 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.192 -2.329 0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.511 -0.579 0.439 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.115 -2.271 2.009 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.051 -3.405 2.934 1.00 0.00 C ATOM 1504 C VAL A 97 -4.448 -3.911 3.274 1.00 0.00 C ATOM 1505 O VAL A 97 -5.402 -3.165 3.507 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.280 -3.102 4.226 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -1.980 -4.352 5.062 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -0.958 -2.404 3.897 1.00 0.00 C ATOM 0 H VAL A 97 -3.603 -1.469 2.409 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.495 -4.181 2.408 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.927 -2.456 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.433 -4.066 5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.916 -4.834 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.377 -5.046 4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.418 -2.193 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.353 -3.051 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.160 -1.470 3.374 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.584 -5.227 3.282 1.00 0.00 N ATOM 1519 CA TYR A 98 -5.831 -5.928 3.504 1.00 0.00 C ATOM 1520 C TYR A 98 -5.581 -7.198 4.295 1.00 0.00 C ATOM 1521 O TYR A 98 -4.567 -7.863 4.142 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.517 -6.231 2.174 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.639 -6.660 1.012 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -4.692 -5.773 0.450 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -5.792 -7.947 0.474 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -3.835 -6.186 -0.577 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.004 -8.329 -0.620 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.027 -7.455 -1.140 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.223 -7.862 -2.137 1.00 0.00 O ATOM 0 H TYR A 98 -3.797 -5.857 3.128 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.498 -5.291 4.085 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.253 -7.016 2.347 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.067 -5.341 1.869 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.629 -4.760 0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.509 -8.635 0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.043 -5.541 -0.928 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.146 -9.301 -1.069 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.655 -8.592 -2.628 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.539 -7.543 5.144 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.480 -8.763 5.948 1.00 0.00 C ATOM 1541 C ALA A 99 -7.294 -9.871 5.302 1.00 0.00 C ATOM 1542 O ALA A 99 -8.278 -9.569 4.631 1.00 0.00 O ATOM 1543 CB ALA A 99 -6.985 -8.446 7.358 1.00 0.00 C ATOM 0 H ALA A 99 -7.380 -6.987 5.297 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.451 -9.117 6.009 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.947 -9.348 7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.355 -7.677 7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.013 -8.088 7.304 1.00 0.00 H new ATOM 1549 N ASN A 100 -6.947 -11.122 5.608 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.618 -12.341 5.168 1.00 0.00 C ATOM 1551 C ASN A 100 -8.595 -12.828 6.259 1.00 0.00 C ATOM 1552 O ASN A 100 -8.437 -13.887 6.850 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.542 -13.376 4.762 1.00 0.00 C ATOM 1554 CG ASN A 100 -7.120 -14.749 4.479 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -6.759 -15.755 5.052 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -8.042 -14.843 3.562 1.00 0.00 N ATOM 0 H ASN A 100 -6.143 -11.320 6.204 1.00 0.00 H new ATOM 0 HA ASN A 100 -8.235 -12.165 4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -6.018 -13.019 3.876 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -5.803 -13.456 5.559 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.447 -15.752 3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.358 -14.008 3.069 1.00 0.00 H new ATOM 1563 N SER A 101 -9.618 -12.029 6.566 1.00 0.00 N ATOM 1564 CA SER A 101 -10.594 -12.468 7.578 1.00 0.00 C ATOM 1565 C SER A 101 -11.385 -13.694 7.092 1.00 0.00 C ATOM 1566 O SER A 101 -11.338 -14.755 7.701 1.00 0.00 O ATOM 1567 CB SER A 101 -11.528 -11.315 7.927 1.00 0.00 C ATOM 1568 OG SER A 101 -12.190 -11.568 9.147 1.00 0.00 O ATOM 0 H SER A 101 -9.794 -11.113 6.153 1.00 0.00 H new ATOM 0 HA SER A 101 -10.055 -12.767 8.477 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.959 -10.388 8.000 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.260 -11.178 7.131 1.00 0.00 H new ATOM 0 HG SER A 101 -12.785 -10.818 9.358 1.00 0.00 H new ATOM 1574 N ARG A 102 -12.131 -13.536 5.991 1.00 0.00 N ATOM 1575 CA ARG A 102 -13.017 -14.558 5.398 1.00 0.00 C ATOM 1576 C ARG A 102 -12.748 -14.753 3.915 1.00 0.00 C ATOM 1577 O ARG A 102 -13.623 -14.513 3.093 1.00 0.00 O ATOM 1578 CB ARG A 102 -14.493 -14.239 5.713 1.00 0.00 C ATOM 1579 CG ARG A 102 -14.945 -12.834 5.244 1.00 0.00 C ATOM 1580 CD ARG A 102 -16.328 -12.504 5.803 1.00 0.00 C ATOM 1581 NE ARG A 102 -16.217 -11.938 7.162 1.00 0.00 N ATOM 1582 CZ ARG A 102 -15.885 -10.695 7.460 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -15.609 -9.823 6.532 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -15.817 -10.301 8.694 1.00 0.00 N ATOM 0 H ARG A 102 -12.137 -12.662 5.466 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.792 -15.519 5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.126 -14.990 5.240 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -14.651 -14.320 6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.225 -12.085 5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.968 -12.797 4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -16.831 -11.794 5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -16.941 -13.405 5.827 1.00 0.00 H new ATOM 0 HE ARG A 102 -16.415 -12.564 7.942 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -15.647 -10.095 5.550 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.355 -8.869 6.788 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.021 -10.955 9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.559 -9.338 8.908 1.00 0.00 H new ATOM 1598 N GLY A 103 -11.503 -15.086 3.565 1.00 0.00 N ATOM 1599 CA GLY A 103 -11.138 -15.217 2.141 1.00 0.00 C ATOM 1600 C GLY A 103 -11.415 -13.955 1.303 1.00 0.00 C ATOM 1601 O GLY A 103 -11.646 -14.037 0.105 1.00 0.00 O ATOM 0 H GLY A 103 -10.745 -15.267 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.078 -15.462 2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.689 -16.054 1.711 1.00 0.00 H new ATOM 1605 N ALA A 104 -11.405 -12.778 1.930 1.00 0.00 N ATOM 1606 CA ALA A 104 -11.682 -11.487 1.312 1.00 0.00 C ATOM 1607 C ALA A 104 -10.765 -10.427 1.904 1.00 0.00 C ATOM 1608 O ALA A 104 -10.054 -10.700 2.868 1.00 0.00 O ATOM 1609 CB ALA A 104 -13.166 -11.121 1.529 1.00 0.00 C ATOM 0 H ALA A 104 -11.194 -12.698 2.925 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.492 -11.541 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.374 -10.156 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.799 -11.884 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -13.374 -11.064 2.597 1.00 0.00 H new ATOM 1615 N VAL A 105 -10.840 -9.220 1.346 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.047 -8.059 1.726 1.00 0.00 C ATOM 1617 C VAL A 105 -10.894 -7.153 2.614 1.00 0.00 C ATOM 1618 O VAL A 105 -11.968 -6.697 2.230 1.00 0.00 O ATOM 1619 CB VAL A 105 -9.475 -7.355 0.469 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -8.882 -8.367 -0.535 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -10.447 -6.421 -0.257 1.00 0.00 C ATOM 0 H VAL A 105 -11.485 -9.019 0.582 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.176 -8.358 2.309 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.685 -6.719 0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.492 -7.834 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -8.075 -8.923 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.660 -9.060 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.950 -5.979 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -11.317 -6.988 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.767 -5.630 0.421 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.431 -6.908 3.832 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.130 -5.955 4.711 1.00 0.00 C ATOM 1633 C GLN A 106 -10.656 -4.514 4.548 1.00 0.00 C ATOM 1634 O GLN A 106 -10.954 -3.721 5.430 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.083 -6.442 6.159 1.00 0.00 C ATOM 1636 CG GLN A 106 -9.681 -6.325 6.767 1.00 0.00 C ATOM 1637 CD GLN A 106 -9.663 -6.716 8.240 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -10.408 -7.553 8.719 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -8.752 -6.159 9.003 1.00 0.00 N ATOM 0 H GLN A 106 -9.598 -7.338 4.234 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.174 -5.928 4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.786 -5.863 6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.409 -7.481 6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.992 -6.963 6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.323 -5.301 6.659 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.122 -5.457 8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.674 -6.428 9.984 1.00 0.00 H new ATOM 1648 N TYR A 107 -9.887 -4.205 3.486 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.228 -2.911 3.273 1.00 0.00 C ATOM 1650 C TYR A 107 -8.651 -2.395 4.601 1.00 0.00 C ATOM 1651 O TYR A 107 -9.049 -1.360 5.110 1.00 0.00 O ATOM 1652 CB TYR A 107 -10.263 -1.969 2.647 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.789 -0.529 2.512 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.662 -0.235 1.719 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.393 0.488 3.291 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -8.183 1.085 1.674 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -9.854 1.791 3.308 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.740 2.088 2.493 1.00 0.00 C ATOM 1659 OH TYR A 107 -8.283 3.366 2.384 1.00 0.00 O ATOM 0 H TYR A 107 -9.705 -4.870 2.734 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.380 -2.989 2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -10.532 -2.346 1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -11.169 -1.987 3.253 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -8.173 -1.014 1.153 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.273 0.264 3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -7.376 1.335 1.002 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.289 2.553 3.938 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.766 3.941 3.014 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.776 -3.185 5.229 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.177 -2.797 6.515 1.00 0.00 C ATOM 1671 C CYS A 108 -6.661 -1.351 6.515 1.00 0.00 C ATOM 1672 O CYS A 108 -6.796 -0.649 7.512 1.00 0.00 O ATOM 1673 CB CYS A 108 -6.019 -3.735 6.842 1.00 0.00 C ATOM 1674 SG CYS A 108 -5.325 -3.443 8.485 1.00 0.00 S ATOM 0 H CYS A 108 -7.467 -4.090 4.874 1.00 0.00 H new ATOM 0 HA CYS A 108 -7.962 -2.869 7.268 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.363 -4.767 6.776 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.235 -3.612 6.094 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.124 -0.914 5.375 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.785 0.469 5.091 1.00 0.00 C ATOM 1681 C GLY A 109 -4.611 0.533 4.136 1.00 0.00 C ATOM 1682 O GLY A 109 -3.922 -0.448 3.886 1.00 0.00 O ATOM 0 H GLY A 109 -5.908 -1.541 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.644 0.980 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.539 0.989 6.017 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.349 1.705 3.585 1.00 0.00 N ATOM 1687 CA VAL A 110 -3.209 1.899 2.683 1.00 0.00 C ATOM 1688 C VAL A 110 -2.046 2.490 3.456 1.00 0.00 C ATOM 1689 O VAL A 110 -2.243 3.376 4.283 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.583 2.804 1.499 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -2.797 2.417 0.245 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -5.070 2.735 1.161 1.00 0.00 C ATOM 0 H VAL A 110 -4.907 2.544 3.742 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.918 0.930 2.277 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.335 3.819 1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.080 3.073 -0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.729 2.519 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.021 1.384 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.282 3.392 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.336 1.711 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.655 3.052 2.025 1.00 0.00 H new ATOM 1702 N MET A 111 -0.838 2.010 3.187 1.00 0.00 N ATOM 1703 CA MET A 111 0.405 2.517 3.776 1.00 0.00 C ATOM 1704 C MET A 111 1.279 3.149 2.720 1.00 0.00 C ATOM 1705 O MET A 111 0.955 3.103 1.535 1.00 0.00 O ATOM 1706 CB MET A 111 1.147 1.412 4.556 1.00 0.00 C ATOM 1707 CG MET A 111 1.332 0.122 3.749 1.00 0.00 C ATOM 1708 SD MET A 111 2.597 0.188 2.460 1.00 0.00 S ATOM 1709 CE MET A 111 3.114 -1.556 2.495 1.00 0.00 C ATOM 0 H MET A 111 -0.687 1.238 2.538 1.00 0.00 H new ATOM 0 HA MET A 111 0.149 3.294 4.496 1.00 0.00 H new ATOM 0 HB2 MET A 111 2.125 1.786 4.861 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.594 1.186 5.468 1.00 0.00 H new ATOM 0 HG2 MET A 111 1.582 -0.685 4.438 1.00 0.00 H new ATOM 0 HG3 MET A 111 0.380 -0.137 3.287 1.00 0.00 H new ATOM 0 HE1 MET A 111 3.900 -1.717 1.758 1.00 0.00 H new ATOM 0 HE2 MET A 111 3.490 -1.804 3.487 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.261 -2.193 2.261 1.00 0.00 H new ATOM 1719 N THR A 112 2.392 3.733 3.155 1.00 0.00 N ATOM 1720 CA THR A 112 3.432 4.306 2.325 1.00 0.00 C ATOM 1721 C THR A 112 4.786 4.309 3.013 1.00 0.00 C ATOM 1722 O THR A 112 4.925 3.933 4.174 1.00 0.00 O ATOM 1723 CB THR A 112 3.038 5.731 1.939 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.827 6.013 0.806 1.00 0.00 O ATOM 1725 CG2 THR A 112 3.291 6.815 2.978 1.00 0.00 C ATOM 0 H THR A 112 2.598 3.821 4.150 1.00 0.00 H new ATOM 0 HA THR A 112 3.529 3.685 1.434 1.00 0.00 H new ATOM 0 HB THR A 112 1.958 5.754 1.795 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.896 6.984 0.689 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.969 7.779 2.584 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.730 6.588 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.355 6.855 3.210 1.00 0.00 H new ATOM 1733 N HIS A 113 5.800 4.764 2.287 1.00 0.00 N ATOM 1734 CA HIS A 113 7.118 5.017 2.828 1.00 0.00 C ATOM 1735 C HIS A 113 7.346 6.457 3.241 1.00 0.00 C ATOM 1736 O HIS A 113 6.880 7.381 2.578 1.00 0.00 O ATOM 1737 CB HIS A 113 8.117 4.684 1.747 1.00 0.00 C ATOM 1738 CG HIS A 113 7.965 3.294 1.182 1.00 0.00 C ATOM 1739 ND1 HIS A 113 8.270 2.894 -0.105 1.00 0.00 N ATOM 1740 CD2 HIS A 113 7.573 2.194 1.877 1.00 0.00 C ATOM 1741 CE1 HIS A 113 8.061 1.579 -0.210 1.00 0.00 C ATOM 1742 NE2 HIS A 113 7.637 1.141 0.983 1.00 0.00 N ATOM 0 H HIS A 113 5.722 4.969 1.291 1.00 0.00 H new ATOM 0 HA HIS A 113 7.226 4.408 3.726 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.017 5.407 0.938 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.124 4.794 2.150 1.00 0.00 H new ATOM 0 HD2 HIS A 113 7.273 2.151 2.914 1.00 0.00 H new ATOM 0 HE1 HIS A 113 8.207 0.978 -1.095 1.00 0.00 H new ATOM 0 HE2 HIS A 113 7.397 0.174 1.200 1.00 0.00 H new ATOM 1751 N SER A 114 8.250 6.620 4.209 1.00 0.00 N ATOM 1752 CA SER A 114 8.617 7.946 4.706 1.00 0.00 C ATOM 1753 C SER A 114 9.686 8.591 3.843 1.00 0.00 C ATOM 1754 O SER A 114 9.659 9.780 3.645 1.00 0.00 O ATOM 1755 CB SER A 114 9.128 7.876 6.138 1.00 0.00 C ATOM 1756 OG SER A 114 8.806 9.091 6.765 1.00 0.00 O ATOM 0 H SER A 114 8.741 5.850 4.664 1.00 0.00 H new ATOM 0 HA SER A 114 7.711 8.551 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.671 7.040 6.667 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.205 7.712 6.152 1.00 0.00 H new ATOM 0 HG SER A 114 7.874 9.066 7.067 1.00 0.00 H new ATOM 1762 N LYS A 115 10.613 7.833 3.245 1.00 0.00 N ATOM 1763 CA LYS A 115 11.660 8.402 2.367 1.00 0.00 C ATOM 1764 C LYS A 115 11.176 8.607 0.923 1.00 0.00 C ATOM 1765 O LYS A 115 11.319 7.688 0.114 1.00 0.00 O ATOM 1766 CB LYS A 115 12.918 7.518 2.449 1.00 0.00 C ATOM 1767 CG LYS A 115 14.201 8.256 2.045 1.00 0.00 C ATOM 1768 CD LYS A 115 14.245 8.622 0.547 1.00 0.00 C ATOM 1769 CE LYS A 115 15.611 9.159 0.124 1.00 0.00 C ATOM 1770 NZ LYS A 115 16.604 8.067 0.009 1.00 0.00 N ATOM 0 H LYS A 115 10.665 6.820 3.350 1.00 0.00 H new ATOM 0 HA LYS A 115 11.909 9.402 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.026 7.145 3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.787 6.650 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.291 9.166 2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.062 7.633 2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.003 7.741 -0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.481 9.370 0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.522 9.675 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.957 9.893 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.508 8.454 -0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.743 7.625 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.259 7.354 -0.665 1.00 0.00 H new ATOM 1784 N VAL A 116 10.710 9.791 0.540 1.00 0.00 N ATOM 1785 CA VAL A 116 10.174 10.047 -0.812 1.00 0.00 C ATOM 1786 C VAL A 116 10.684 11.379 -1.334 1.00 0.00 C ATOM 1787 O VAL A 116 10.318 12.406 -0.810 1.00 0.00 O ATOM 1788 CB VAL A 116 8.627 9.984 -0.813 1.00 0.00 C ATOM 1789 CG1 VAL A 116 8.154 8.524 -0.705 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.934 10.757 0.319 1.00 0.00 C ATOM 0 H VAL A 116 10.689 10.607 1.151 1.00 0.00 H new ATOM 0 HA VAL A 116 10.528 9.266 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 116 8.347 10.456 -1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.064 8.493 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.534 7.955 -1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.528 8.088 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.854 10.648 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.257 10.360 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.199 11.812 0.254 1.00 0.00 H new ATOM 1800 N ASP A 117 11.579 11.362 -2.319 1.00 0.00 N ATOM 1801 CA ASP A 117 12.100 12.617 -2.887 1.00 0.00 C ATOM 1802 C ASP A 117 11.471 12.870 -4.266 1.00 0.00 C ATOM 1803 O ASP A 117 10.567 13.679 -4.425 1.00 0.00 O ATOM 1804 CB ASP A 117 13.634 12.533 -2.883 1.00 0.00 C ATOM 1805 CG ASP A 117 14.273 13.903 -2.777 1.00 0.00 C ATOM 1806 OD1 ASP A 117 13.898 14.750 -3.610 1.00 0.00 O ATOM 1807 OD2 ASP A 117 15.207 13.995 -1.953 1.00 0.00 O ATOM 0 H ASP A 117 11.957 10.513 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 117 11.824 13.487 -2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.962 11.914 -2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.973 12.043 -3.796 1.00 0.00 H new ATOM 1812 N LYS A 118 11.879 12.049 -5.241 1.00 0.00 N ATOM 1813 CA LYS A 118 11.449 12.112 -6.648 1.00 0.00 C ATOM 1814 C LYS A 118 10.873 10.789 -7.129 1.00 0.00 C ATOM 1815 O LYS A 118 9.763 10.700 -7.629 1.00 0.00 O ATOM 1816 CB LYS A 118 12.647 12.547 -7.507 1.00 0.00 C ATOM 1817 CG LYS A 118 12.358 12.414 -9.027 1.00 0.00 C ATOM 1818 CD LYS A 118 13.644 12.415 -9.854 1.00 0.00 C ATOM 1819 CE LYS A 118 14.365 11.057 -9.721 1.00 0.00 C ATOM 1820 NZ LYS A 118 15.780 11.164 -10.153 1.00 0.00 N ATOM 0 H LYS A 118 12.542 11.294 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 118 10.645 12.842 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 118 12.901 13.582 -7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 118 13.516 11.941 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 118 11.808 11.492 -9.213 1.00 0.00 H new ATOM 0 HG3 LYS A 118 11.719 13.236 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 118 13.411 12.610 -10.901 1.00 0.00 H new ATOM 0 HD3 LYS A 118 14.300 13.218 -9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 118 14.321 10.717 -8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 118 13.852 10.308 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 16.244 10.238 -10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 15.817 11.466 -11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 16.272 11.863 -9.560 1.00 0.00 H new ATOM 1834 N ASN A 119 11.700 9.744 -7.069 1.00 0.00 N ATOM 1835 CA ASN A 119 11.268 8.404 -7.477 1.00 0.00 C ATOM 1836 C ASN A 119 10.291 7.804 -6.465 1.00 0.00 C ATOM 1837 O ASN A 119 9.527 6.917 -6.820 1.00 0.00 O ATOM 1838 CB ASN A 119 12.520 7.515 -7.646 1.00 0.00 C ATOM 1839 CG ASN A 119 12.254 6.021 -7.572 1.00 0.00 C ATOM 1840 OD1 ASN A 119 12.129 5.355 -8.568 1.00 0.00 O ATOM 1841 ND2 ASN A 119 12.170 5.435 -6.398 1.00 0.00 N ATOM 0 H ASN A 119 12.666 9.797 -6.745 1.00 0.00 H new ATOM 0 HA ASN A 119 10.735 8.465 -8.426 1.00 0.00 H new ATOM 0 HB2 ASN A 119 12.982 7.741 -8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 119 13.243 7.780 -6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.001 4.431 -6.340 1.00 0.00 H new ATOM 0 HD22 ASN A 119 12.274 5.985 -5.545 1.00 0.00 H new ATOM 1848 N ASN A 120 10.361 8.239 -5.200 1.00 0.00 N ATOM 1849 CA ASN A 120 9.467 7.791 -4.128 1.00 0.00 C ATOM 1850 C ASN A 120 9.833 6.352 -3.712 1.00 0.00 C ATOM 1851 O ASN A 120 9.004 5.451 -3.650 1.00 0.00 O ATOM 1852 CB ASN A 120 7.991 7.975 -4.562 1.00 0.00 C ATOM 1853 CG ASN A 120 7.681 9.249 -5.298 1.00 0.00 C ATOM 1854 OD1 ASN A 120 8.280 10.279 -5.075 1.00 0.00 O ATOM 1855 ND2 ASN A 120 6.735 9.178 -6.199 1.00 0.00 N ATOM 0 H ASN A 120 11.052 8.923 -4.890 1.00 0.00 H new ATOM 0 HA ASN A 120 9.594 8.404 -3.235 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.710 7.134 -5.196 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.362 7.928 -3.673 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.482 10.006 -6.739 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.251 8.295 -6.362 1.00 0.00 H new ATOM 1862 N GLN A 121 11.130 6.107 -3.488 1.00 0.00 N ATOM 1863 CA GLN A 121 11.611 4.756 -3.194 1.00 0.00 C ATOM 1864 C GLN A 121 11.053 4.285 -1.865 1.00 0.00 C ATOM 1865 O GLN A 121 10.211 3.393 -1.851 1.00 0.00 O ATOM 1866 CB GLN A 121 13.141 4.713 -3.203 1.00 0.00 C ATOM 1867 CG GLN A 121 13.647 3.268 -3.359 1.00 0.00 C ATOM 1868 CD GLN A 121 15.175 3.280 -3.256 1.00 0.00 C ATOM 1869 OE1 GLN A 121 15.794 2.773 -2.334 1.00 0.00 O ATOM 1870 NE2 GLN A 121 15.842 4.002 -4.131 1.00 0.00 N ATOM 0 H GLN A 121 11.858 6.821 -3.505 1.00 0.00 H new ATOM 0 HA GLN A 121 11.259 4.078 -3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 121 13.522 5.326 -4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.527 5.140 -2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 121 13.219 2.630 -2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 121 13.334 2.858 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 121 15.352 4.438 -4.912 1.00 0.00 H new ATOM 0 HE22 GLN A 121 16.849 4.126 -4.028 1.00 0.00 H new ATOM 1879 N GLY A 122 11.490 4.930 -0.778 1.00 0.00 N ATOM 1880 CA GLY A 122 11.114 4.632 0.592 1.00 0.00 C ATOM 1881 C GLY A 122 12.100 3.730 1.289 1.00 0.00 C ATOM 1882 O GLY A 122 12.497 2.718 0.722 1.00 0.00 O ATOM 0 H GLY A 122 12.146 5.709 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 122 11.025 5.564 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.131 4.161 0.599 1.00 0.00 H new ATOM 1886 N LYS A 123 12.518 4.142 2.487 1.00 0.00 N ATOM 1887 CA LYS A 123 13.521 3.421 3.274 1.00 0.00 C ATOM 1888 C LYS A 123 13.124 3.213 4.708 1.00 0.00 C ATOM 1889 O LYS A 123 13.144 2.067 5.117 1.00 0.00 O ATOM 1890 CB LYS A 123 14.878 4.112 3.273 1.00 0.00 C ATOM 1891 CG LYS A 123 15.364 4.423 1.855 1.00 0.00 C ATOM 1892 CD LYS A 123 16.807 4.933 1.922 1.00 0.00 C ATOM 1893 CE LYS A 123 17.794 3.772 2.114 1.00 0.00 C ATOM 1894 NZ LYS A 123 18.046 3.044 0.836 1.00 0.00 N ATOM 0 H LYS A 123 12.170 4.987 2.940 1.00 0.00 H new ATOM 0 HA LYS A 123 13.590 2.454 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 123 14.814 5.038 3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.608 3.477 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.309 3.529 1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.721 5.172 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 123 17.049 5.472 1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 123 16.908 5.641 2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 123 18.736 4.156 2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 123 17.400 3.078 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 18.717 2.268 1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 17.151 2.656 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 18.446 3.700 0.136 1.00 0.00 H new ATOM 1908 N GLU A 124 12.852 4.318 5.421 1.00 0.00 N ATOM 1909 CA GLU A 124 12.347 4.306 6.796 1.00 0.00 C ATOM 1910 C GLU A 124 11.126 3.397 6.920 1.00 0.00 C ATOM 1911 O GLU A 124 10.552 2.983 5.905 1.00 0.00 O ATOM 1912 CB GLU A 124 12.010 5.750 7.251 1.00 0.00 C ATOM 1913 CG GLU A 124 13.201 6.569 7.756 1.00 0.00 C ATOM 1914 CD GLU A 124 13.860 5.924 8.976 1.00 0.00 C ATOM 1915 OE1 GLU A 124 14.719 5.050 8.728 1.00 0.00 O ATOM 1916 OE2 GLU A 124 13.496 6.294 10.109 1.00 0.00 O ATOM 0 H GLU A 124 12.980 5.259 5.048 1.00 0.00 H new ATOM 0 HA GLU A 124 13.124 3.908 7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.553 6.280 6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.263 5.699 8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.936 6.671 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.868 7.575 8.013 1.00 0.00 H new ATOM 1923 N PHE A 125 10.713 3.148 8.163 1.00 0.00 N ATOM 1924 CA PHE A 125 9.508 2.383 8.452 1.00 0.00 C ATOM 1925 C PHE A 125 8.281 2.807 7.607 1.00 0.00 C ATOM 1926 O PHE A 125 8.195 3.884 6.995 1.00 0.00 O ATOM 1927 CB PHE A 125 9.167 2.485 9.949 1.00 0.00 C ATOM 1928 CG PHE A 125 8.438 3.773 10.318 1.00 0.00 C ATOM 1929 CD1 PHE A 125 9.058 5.026 10.105 1.00 0.00 C ATOM 1930 CD2 PHE A 125 7.114 3.725 10.804 1.00 0.00 C ATOM 1931 CE1 PHE A 125 8.373 6.221 10.371 1.00 0.00 C ATOM 1932 CE2 PHE A 125 6.438 4.925 11.105 1.00 0.00 C ATOM 1933 CZ PHE A 125 7.076 6.166 10.904 1.00 0.00 C ATOM 0 H PHE A 125 11.207 3.472 8.995 1.00 0.00 H new ATOM 0 HA PHE A 125 9.730 1.351 8.179 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.549 1.633 10.232 1.00 0.00 H new ATOM 0 HB3 PHE A 125 10.087 2.418 10.529 1.00 0.00 H new ATOM 0 HD1 PHE A 125 10.071 5.063 9.733 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.621 2.774 10.945 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.839 7.174 10.168 1.00 0.00 H new ATOM 0 HE2 PHE A 125 5.430 4.894 11.490 1.00 0.00 H new ATOM 0 HZ PHE A 125 6.563 7.081 11.162 1.00 0.00 H new ATOM 1943 N PHE A 126 7.271 1.951 7.632 1.00 0.00 N ATOM 1944 CA PHE A 126 6.069 2.189 6.853 1.00 0.00 C ATOM 1945 C PHE A 126 5.025 2.922 7.676 1.00 0.00 C ATOM 1946 O PHE A 126 4.728 2.556 8.814 1.00 0.00 O ATOM 1947 CB PHE A 126 5.540 0.859 6.373 1.00 0.00 C ATOM 1948 CG PHE A 126 6.328 0.271 5.231 1.00 0.00 C ATOM 1949 CD1 PHE A 126 7.623 -0.247 5.429 1.00 0.00 C ATOM 1950 CD2 PHE A 126 5.728 0.206 3.970 1.00 0.00 C ATOM 1951 CE1 PHE A 126 8.331 -0.798 4.351 1.00 0.00 C ATOM 1952 CE2 PHE A 126 6.374 -0.463 2.920 1.00 0.00 C ATOM 1953 CZ PHE A 126 7.702 -0.929 3.100 1.00 0.00 C ATOM 0 H PHE A 126 7.261 1.091 8.180 1.00 0.00 H new ATOM 0 HA PHE A 126 6.306 2.821 5.997 1.00 0.00 H new ATOM 0 HB2 PHE A 126 5.543 0.155 7.205 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.502 0.981 6.062 1.00 0.00 H new ATOM 0 HD1 PHE A 126 8.071 -0.220 6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.767 0.671 3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 126 9.354 -1.120 4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.864 -0.622 1.981 1.00 0.00 H new ATOM 0 HZ PHE A 126 8.230 -1.385 2.276 1.00 0.00 H new ATOM 1963 N GLU A 127 4.417 3.930 7.063 1.00 0.00 N ATOM 1964 CA GLU A 127 3.422 4.781 7.698 1.00 0.00 C ATOM 1965 C GLU A 127 2.086 4.563 7.011 1.00 0.00 C ATOM 1966 O GLU A 127 1.973 4.642 5.790 1.00 0.00 O ATOM 1967 CB GLU A 127 3.815 6.261 7.691 1.00 0.00 C ATOM 1968 CG GLU A 127 5.333 6.486 7.862 1.00 0.00 C ATOM 1969 CD GLU A 127 5.668 7.819 8.526 1.00 0.00 C ATOM 1970 OE1 GLU A 127 4.999 8.124 9.544 1.00 0.00 O ATOM 1971 OE2 GLU A 127 6.593 8.489 8.006 1.00 0.00 O ATOM 0 H GLU A 127 4.606 4.182 6.093 1.00 0.00 H new ATOM 0 HA GLU A 127 3.351 4.501 8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.490 6.712 6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.285 6.775 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.750 5.675 8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 127 5.813 6.443 6.885 1.00 0.00 H new ATOM 1978 N LYS A 128 1.065 4.236 7.795 1.00 0.00 N ATOM 1979 CA LYS A 128 -0.306 4.126 7.292 1.00 0.00 C ATOM 1980 C LYS A 128 -0.905 5.509 7.022 1.00 0.00 C ATOM 1981 O LYS A 128 -0.596 6.458 7.747 1.00 0.00 O ATOM 1982 CB LYS A 128 -1.125 3.246 8.232 1.00 0.00 C ATOM 1983 CG LYS A 128 -1.213 3.776 9.668 1.00 0.00 C ATOM 1984 CD LYS A 128 -2.448 4.670 9.881 1.00 0.00 C ATOM 1985 CE LYS A 128 -2.593 5.235 11.286 1.00 0.00 C ATOM 1986 NZ LYS A 128 -3.321 6.547 11.258 1.00 0.00 N ATOM 0 H LYS A 128 1.159 4.040 8.792 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.316 3.629 6.322 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -2.134 3.145 7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.688 2.248 8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.250 2.936 10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -0.311 4.343 9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -2.405 5.499 9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -3.342 4.093 9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -3.134 4.527 11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.608 5.370 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -3.409 6.916 12.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -2.790 7.226 10.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -4.269 6.410 10.852 1.00 0.00 H new ATOM 2000 N CYS A 129 -1.776 5.594 6.022 1.00 0.00 N ATOM 2001 CA CYS A 129 -2.604 6.774 5.763 1.00 0.00 C ATOM 2002 C CYS A 129 -3.747 6.943 6.795 1.00 0.00 C ATOM 2003 O CYS A 129 -3.986 6.057 7.624 1.00 0.00 O ATOM 2004 CB CYS A 129 -3.173 6.664 4.334 1.00 0.00 C ATOM 2005 SG CYS A 129 -2.274 7.377 2.914 1.00 0.00 S ATOM 0 H CYS A 129 -1.931 4.836 5.357 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.978 7.661 5.860 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -3.312 5.603 4.125 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -4.163 7.119 4.347 1.00 0.00 H new ATOM 2010 N ASP A 130 -4.450 8.077 6.726 1.00 0.00 N ATOM 2011 CA ASP A 130 -5.605 8.438 7.562 1.00 0.00 C ATOM 2012 C ASP A 130 -6.520 9.486 6.893 1.00 0.00 C ATOM 2013 O ASP A 130 -6.093 10.070 5.870 1.00 0.00 O ATOM 2014 CB ASP A 130 -5.059 8.927 8.915 1.00 0.00 C ATOM 2015 CG ASP A 130 -6.085 8.944 10.055 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -6.299 7.811 10.564 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -6.300 10.017 10.660 1.00 0.00 O ATOM 2018 OXT ASP A 130 -7.665 9.644 7.354 1.00 0.00 O ATOM 0 H ASP A 130 -4.219 8.807 6.052 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.241 7.565 7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -4.224 8.289 9.206 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.661 9.934 8.788 1.00 0.00 H new TER 2023 ASP A 130