USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 826 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 97 LYS NZ :NH3+ -114:sc= 1.24 (180deg=0.986) USER MOD Set 1.2: A 99 ASN : amide:sc= 0.919 K(o=2.2,f=-5.7!) USER MOD Set 2.1: A 59 SER OG : rot 78:sc= 1.14 USER MOD Set 2.2: A 60 GLN : amide:sc= 0.723 K(o=1.9,f=-0.26) USER MOD Set 3.1: A 20 SER OG : rot -45:sc= 0.0263 USER MOD Set 3.2: A 46 CYS SG : rot -159:sc= 0.181 USER MOD Single : A 0 MET CE :methyl -150:sc= 0 (180deg=-0.0118) USER MOD Single : A 0 MET N :NH3+ 143:sc= -0.0577 (180deg=-0.487) USER MOD Single : A 6 THR OG1 : rot 70:sc= 1.39 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.764 K(o=0.76,f=-6.7!) USER MOD Single : A 15 LYS NZ :NH3+ -163:sc= -0.0294 (180deg=-0.496) USER MOD Single : A 21 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.12) USER MOD Single : A 22 GLN : amide:sc= -0.276 K(o=-0.28,f=-0.78) USER MOD Single : A 26 GLN : amide:sc= 0.66 K(o=0.66,f=-0.86) USER MOD Single : A 28 TYR OH : rot -38:sc= 1.21 USER MOD Single : A 31 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.033) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= -0.0376 (180deg=-0.124) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.244 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -1.13 K(o=-1.1,f=-6.6!) USER MOD Single : A 51 CYS SG : rot 86:sc= 0.0426 USER MOD Single : A 53 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.485 X(o=-0.48,f=-0.44) USER MOD Single : A 66 SER OG : rot 180:sc= 0.577 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 170:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.968 K(o=0.97,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 90 LYS NZ :NH3+ -124:sc= 0.86 (180deg=0.268) USER MOD Single : A 93 MET CE :methyl 170:sc= -0.0347 (180deg=-0.174) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 9.817 6.712 -0.264 1.00 0.00 N ATOM 2 CA MET A 0 9.260 6.667 -1.620 1.00 0.00 C ATOM 3 C MET A 0 8.569 8.000 -1.872 1.00 0.00 C ATOM 4 O MET A 0 7.827 8.451 -0.999 1.00 0.00 O ATOM 5 CB MET A 0 8.323 5.464 -1.814 1.00 0.00 C ATOM 6 CG MET A 0 7.108 5.465 -0.873 1.00 0.00 C ATOM 7 SD MET A 0 5.589 6.185 -1.530 1.00 0.00 S ATOM 8 CE MET A 0 5.036 4.831 -2.584 1.00 0.00 C ATOM 0 H1 MET A 0 9.725 5.776 0.180 1.00 0.00 H new ATOM 0 H2 MET A 0 10.822 6.976 -0.310 1.00 0.00 H new ATOM 0 H3 MET A 0 9.300 7.416 0.301 1.00 0.00 H new ATOM 0 HA MET A 0 10.053 6.524 -2.354 1.00 0.00 H new ATOM 0 HB2 MET A 0 7.972 5.452 -2.846 1.00 0.00 H new ATOM 0 HB3 MET A 0 8.889 4.546 -1.660 1.00 0.00 H new ATOM 0 HG2 MET A 0 6.900 4.436 -0.581 1.00 0.00 H new ATOM 0 HG3 MET A 0 7.378 6.005 0.034 1.00 0.00 H new ATOM 0 HE1 MET A 0 4.476 5.233 -3.428 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.901 4.279 -2.952 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.396 4.161 -2.010 1.00 0.00 H new ATOM 20 N ALA A 1 8.834 8.647 -3.006 1.00 0.00 N ATOM 21 CA ALA A 1 8.263 9.950 -3.297 1.00 0.00 C ATOM 22 C ALA A 1 6.844 9.758 -3.817 1.00 0.00 C ATOM 23 O ALA A 1 5.925 9.640 -3.013 1.00 0.00 O ATOM 24 CB ALA A 1 9.167 10.732 -4.252 1.00 0.00 C ATOM 0 H ALA A 1 9.444 8.283 -3.738 1.00 0.00 H new ATOM 0 HA ALA A 1 8.201 10.555 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.723 11.706 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.147 10.870 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.277 10.178 -5.184 1.00 0.00 H new ATOM 30 N ARG A 2 6.655 9.701 -5.135 1.00 0.00 N ATOM 31 CA ARG A 2 5.348 9.765 -5.772 1.00 0.00 C ATOM 32 C ARG A 2 4.793 11.184 -5.625 1.00 0.00 C ATOM 33 O ARG A 2 4.992 11.841 -4.600 1.00 0.00 O ATOM 34 CB ARG A 2 4.404 8.650 -5.273 1.00 0.00 C ATOM 35 CG ARG A 2 3.258 9.109 -4.355 1.00 0.00 C ATOM 36 CD ARG A 2 2.763 7.973 -3.457 1.00 0.00 C ATOM 37 NE ARG A 2 2.359 6.785 -4.229 1.00 0.00 N ATOM 38 CZ ARG A 2 1.112 6.306 -4.334 1.00 0.00 C ATOM 39 NH1 ARG A 2 0.094 7.054 -3.915 1.00 0.00 N ATOM 40 NH2 ARG A 2 0.891 5.094 -4.850 1.00 0.00 N ATOM 0 H ARG A 2 7.423 9.607 -5.799 1.00 0.00 H new ATOM 0 HA ARG A 2 5.443 9.565 -6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.973 8.149 -6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.998 7.908 -4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.597 9.940 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.432 9.480 -4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.551 7.697 -2.756 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.918 8.323 -2.865 1.00 0.00 H new ATOM 0 HE ARG A 2 3.093 6.283 -4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.269 7.978 -3.521 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.861 6.703 -3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 2 1.675 4.524 -5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.062 4.738 -4.926 1.00 0.00 H new ATOM 54 N ILE A 3 4.105 11.677 -6.649 1.00 0.00 N ATOM 55 CA ILE A 3 3.441 12.964 -6.543 1.00 0.00 C ATOM 56 C ILE A 3 2.323 12.869 -5.502 1.00 0.00 C ATOM 57 O ILE A 3 1.681 11.821 -5.411 1.00 0.00 O ATOM 58 CB ILE A 3 2.923 13.447 -7.908 1.00 0.00 C ATOM 59 CG1 ILE A 3 1.630 12.765 -8.392 1.00 0.00 C ATOM 60 CG2 ILE A 3 4.020 13.391 -8.980 1.00 0.00 C ATOM 61 CD1 ILE A 3 1.710 11.251 -8.614 1.00 0.00 C ATOM 0 H ILE A 3 3.995 11.210 -7.549 1.00 0.00 H new ATOM 0 HA ILE A 3 4.161 13.713 -6.212 1.00 0.00 H new ATOM 0 HB ILE A 3 2.645 14.488 -7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.844 12.964 -7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.324 13.233 -9.328 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.617 13.740 -9.931 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.852 14.029 -8.683 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.370 12.365 -9.089 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.742 10.881 -8.953 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.466 11.033 -9.368 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.978 10.760 -7.679 1.00 0.00 H new ATOM 73 N ASP A 4 2.100 13.958 -4.755 1.00 0.00 N ATOM 74 CA ASP A 4 0.988 14.179 -3.824 1.00 0.00 C ATOM 75 C ASP A 4 0.538 12.889 -3.119 1.00 0.00 C ATOM 76 O ASP A 4 -0.282 12.159 -3.674 1.00 0.00 O ATOM 77 CB ASP A 4 -0.179 14.856 -4.551 1.00 0.00 C ATOM 78 CG ASP A 4 -1.301 15.204 -3.587 1.00 0.00 C ATOM 79 OD1 ASP A 4 -1.982 14.300 -3.071 1.00 0.00 O ATOM 80 OD2 ASP A 4 -1.517 16.421 -3.407 1.00 0.00 O ATOM 0 H ASP A 4 2.732 14.758 -4.787 1.00 0.00 H new ATOM 0 HA ASP A 4 1.346 14.842 -3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.173 15.762 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.558 14.195 -5.330 1.00 0.00 H new ATOM 85 N PRO A 5 1.071 12.555 -1.937 1.00 0.00 N ATOM 86 CA PRO A 5 0.949 11.216 -1.375 1.00 0.00 C ATOM 87 C PRO A 5 -0.506 10.748 -1.304 1.00 0.00 C ATOM 88 O PRO A 5 -0.823 9.613 -1.662 1.00 0.00 O ATOM 89 CB PRO A 5 1.633 11.266 -0.005 1.00 0.00 C ATOM 90 CG PRO A 5 1.728 12.758 0.326 1.00 0.00 C ATOM 91 CD PRO A 5 1.795 13.436 -1.039 1.00 0.00 C ATOM 0 HA PRO A 5 1.432 10.475 -2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.054 10.729 0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.620 10.804 -0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.863 13.096 0.897 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.612 12.978 0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.342 14.427 -1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.827 13.567 -1.363 1.00 0.00 H new ATOM 99 N THR A 6 -1.392 11.640 -0.882 1.00 0.00 N ATOM 100 CA THR A 6 -2.823 11.440 -0.766 1.00 0.00 C ATOM 101 C THR A 6 -3.513 11.039 -2.078 1.00 0.00 C ATOM 102 O THR A 6 -4.579 10.424 -2.039 1.00 0.00 O ATOM 103 CB THR A 6 -3.409 12.744 -0.201 1.00 0.00 C ATOM 104 OG1 THR A 6 -2.554 13.846 -0.475 1.00 0.00 O ATOM 105 CG2 THR A 6 -3.495 12.629 1.319 1.00 0.00 C ATOM 0 H THR A 6 -1.110 12.577 -0.595 1.00 0.00 H new ATOM 0 HA THR A 6 -3.006 10.593 -0.104 1.00 0.00 H new ATOM 0 HB THR A 6 -4.385 12.900 -0.660 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.576 14.047 -1.434 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.910 13.549 1.731 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.139 11.790 1.585 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.498 12.465 1.728 1.00 0.00 H new ATOM 113 N LYS A 7 -2.963 11.409 -3.233 1.00 0.00 N ATOM 114 CA LYS A 7 -3.680 11.306 -4.493 1.00 0.00 C ATOM 115 C LYS A 7 -4.002 9.849 -4.843 1.00 0.00 C ATOM 116 O LYS A 7 -5.169 9.470 -4.915 1.00 0.00 O ATOM 117 CB LYS A 7 -2.851 11.975 -5.599 1.00 0.00 C ATOM 118 CG LYS A 7 -3.682 12.412 -6.814 1.00 0.00 C ATOM 119 CD LYS A 7 -4.530 13.669 -6.561 1.00 0.00 C ATOM 120 CE LYS A 7 -3.681 14.816 -5.990 1.00 0.00 C ATOM 121 NZ LYS A 7 -4.158 16.152 -6.386 1.00 0.00 N ATOM 0 H LYS A 7 -2.018 11.784 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.636 11.822 -4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.344 12.846 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.077 11.283 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.012 12.599 -7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.339 11.594 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.995 13.989 -7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.336 13.432 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.677 14.748 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.650 14.694 -6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.542 16.878 -5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.137 16.235 -7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.132 16.287 -6.048 1.00 0.00 H new ATOM 135 N LYS A 8 -2.976 9.051 -5.138 1.00 0.00 N ATOM 136 CA LYS A 8 -3.152 7.740 -5.735 1.00 0.00 C ATOM 137 C LYS A 8 -3.427 6.724 -4.622 1.00 0.00 C ATOM 138 O LYS A 8 -2.539 6.442 -3.818 1.00 0.00 O ATOM 139 CB LYS A 8 -1.894 7.387 -6.553 1.00 0.00 C ATOM 140 CG LYS A 8 -2.194 6.720 -7.898 1.00 0.00 C ATOM 141 CD LYS A 8 -2.153 7.711 -9.069 1.00 0.00 C ATOM 142 CE LYS A 8 -3.315 8.709 -9.050 1.00 0.00 C ATOM 143 NZ LYS A 8 -3.442 9.433 -10.331 1.00 0.00 N ATOM 0 H LYS A 8 -2.002 9.301 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.003 7.728 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.321 8.297 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.263 6.723 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.470 5.924 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.178 6.253 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.211 8.258 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.173 7.157 -10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.244 8.180 -8.839 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.165 9.425 -8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.240 10.098 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.565 9.959 -10.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.611 8.752 -11.099 1.00 0.00 H new ATOM 157 N GLY A 9 -4.631 6.160 -4.574 1.00 0.00 N ATOM 158 CA GLY A 9 -4.962 5.088 -3.650 1.00 0.00 C ATOM 159 C GLY A 9 -6.415 5.222 -3.235 1.00 0.00 C ATOM 160 O GLY A 9 -7.240 4.380 -3.593 1.00 0.00 O ATOM 0 H GLY A 9 -5.404 6.437 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.793 4.120 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.315 5.133 -2.774 1.00 0.00 H new ATOM 164 N ARG A 10 -6.729 6.298 -2.510 1.00 0.00 N ATOM 165 CA ARG A 10 -8.060 6.634 -2.019 1.00 0.00 C ATOM 166 C ARG A 10 -8.475 5.628 -0.949 1.00 0.00 C ATOM 167 O ARG A 10 -8.541 5.970 0.231 1.00 0.00 O ATOM 168 CB ARG A 10 -9.062 6.778 -3.178 1.00 0.00 C ATOM 169 CG ARG A 10 -10.278 7.633 -2.803 1.00 0.00 C ATOM 170 CD ARG A 10 -11.323 6.940 -1.908 1.00 0.00 C ATOM 171 NE ARG A 10 -11.783 5.645 -2.441 1.00 0.00 N ATOM 172 CZ ARG A 10 -12.450 5.486 -3.595 1.00 0.00 C ATOM 173 NH1 ARG A 10 -12.882 6.558 -4.257 1.00 0.00 N ATOM 174 NH2 ARG A 10 -12.679 4.265 -4.072 1.00 0.00 N ATOM 0 H ARG A 10 -6.028 6.988 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.048 7.613 -1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.559 7.225 -4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.399 5.789 -3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.927 8.530 -2.294 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.769 7.958 -3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.897 6.786 -0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.182 7.600 -1.786 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.580 4.809 -1.893 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.705 7.492 -3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.390 6.445 -5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.347 3.447 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.186 4.147 -4.949 1.00 0.00 H new ATOM 188 N ARG A 11 -8.705 4.365 -1.316 1.00 0.00 N ATOM 189 CA ARG A 11 -8.670 3.290 -0.360 1.00 0.00 C ATOM 190 C ARG A 11 -7.312 3.365 0.338 1.00 0.00 C ATOM 191 O ARG A 11 -6.298 3.670 -0.288 1.00 0.00 O ATOM 192 CB ARG A 11 -8.840 1.942 -1.070 1.00 0.00 C ATOM 193 CG ARG A 11 -9.183 0.732 -0.186 1.00 0.00 C ATOM 194 CD ARG A 11 -10.581 0.835 0.443 1.00 0.00 C ATOM 195 NE ARG A 11 -11.193 -0.494 0.646 1.00 0.00 N ATOM 196 CZ ARG A 11 -12.031 -1.110 -0.208 1.00 0.00 C ATOM 197 NH1 ARG A 11 -12.347 -0.580 -1.385 1.00 0.00 N ATOM 198 NH2 ARG A 11 -12.573 -2.279 0.106 1.00 0.00 N ATOM 0 H ARG A 11 -8.916 4.076 -2.271 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.481 3.380 0.363 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.625 2.049 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.917 1.721 -1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.124 -0.178 -0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.439 0.643 0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.511 1.353 1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.224 1.437 -0.199 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.960 -0.987 1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.951 0.318 -1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.985 -1.071 -2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.356 -2.718 1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.207 -2.739 -0.547 1.00 0.00 H new ATOM 212 N ASN A 12 -7.303 3.061 1.626 1.00 0.00 N ATOM 213 CA ASN A 12 -6.143 3.253 2.499 1.00 0.00 C ATOM 214 C ASN A 12 -6.467 2.861 3.941 1.00 0.00 C ATOM 215 O ASN A 12 -5.627 2.298 4.633 1.00 0.00 O ATOM 216 CB ASN A 12 -5.610 4.694 2.481 1.00 0.00 C ATOM 217 CG ASN A 12 -4.370 4.809 3.358 1.00 0.00 C ATOM 218 OD1 ASN A 12 -3.560 3.885 3.423 1.00 0.00 O ATOM 219 ND2 ASN A 12 -4.197 5.933 4.034 1.00 0.00 N ATOM 0 H ASN A 12 -8.112 2.667 2.107 1.00 0.00 H new ATOM 0 HA ASN A 12 -5.365 2.601 2.102 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.370 4.988 1.459 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.380 5.378 2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.376 6.050 4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.885 6.683 3.961 1.00 0.00 H new ATOM 226 N ARG A 13 -7.706 3.096 4.377 1.00 0.00 N ATOM 227 CA ARG A 13 -8.175 2.727 5.714 1.00 0.00 C ATOM 228 C ARG A 13 -7.938 1.244 6.026 1.00 0.00 C ATOM 229 O ARG A 13 -7.716 0.863 7.168 1.00 0.00 O ATOM 230 CB ARG A 13 -9.666 3.078 5.868 1.00 0.00 C ATOM 231 CG ARG A 13 -10.598 2.751 4.683 1.00 0.00 C ATOM 232 CD ARG A 13 -11.327 1.402 4.791 1.00 0.00 C ATOM 233 NE ARG A 13 -12.410 1.413 5.791 1.00 0.00 N ATOM 234 CZ ARG A 13 -13.602 2.019 5.648 1.00 0.00 C ATOM 235 NH1 ARG A 13 -13.863 2.756 4.561 1.00 0.00 N ATOM 236 NH2 ARG A 13 -14.537 1.866 6.585 1.00 0.00 N ATOM 0 H ARG A 13 -8.418 3.552 3.807 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.592 3.302 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.045 2.559 6.748 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.741 4.146 6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.341 3.544 4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.011 2.759 3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.741 1.140 3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.607 0.626 5.051 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.241 0.918 6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.155 2.861 3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.770 3.212 4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.347 1.291 7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.443 2.324 6.481 1.00 0.00 H new ATOM 250 N PHE A 14 -7.949 0.408 4.996 1.00 0.00 N ATOM 251 CA PHE A 14 -7.692 -1.019 5.112 1.00 0.00 C ATOM 252 C PHE A 14 -6.248 -1.233 5.594 1.00 0.00 C ATOM 253 O PHE A 14 -5.297 -0.835 4.914 1.00 0.00 O ATOM 254 CB PHE A 14 -7.977 -1.660 3.737 1.00 0.00 C ATOM 255 CG PHE A 14 -7.217 -2.920 3.384 1.00 0.00 C ATOM 256 CD1 PHE A 14 -7.130 -3.997 4.284 1.00 0.00 C ATOM 257 CD2 PHE A 14 -6.647 -3.041 2.105 1.00 0.00 C ATOM 258 CE1 PHE A 14 -6.293 -5.087 3.989 1.00 0.00 C ATOM 259 CE2 PHE A 14 -5.822 -4.135 1.814 1.00 0.00 C ATOM 260 CZ PHE A 14 -5.557 -5.100 2.794 1.00 0.00 C ATOM 0 H PHE A 14 -8.140 0.709 4.040 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.339 -1.497 5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.043 -1.884 3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.769 -0.915 2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.704 -3.987 5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.844 -2.294 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.216 -5.913 4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.388 -4.235 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.794 -5.847 2.632 1.00 0.00 H new ATOM 270 N LYS A 15 -6.103 -1.821 6.788 1.00 0.00 N ATOM 271 CA LYS A 15 -4.844 -2.272 7.372 1.00 0.00 C ATOM 272 C LYS A 15 -4.623 -3.736 6.993 1.00 0.00 C ATOM 273 O LYS A 15 -5.596 -4.473 6.852 1.00 0.00 O ATOM 274 CB LYS A 15 -4.847 -2.088 8.897 1.00 0.00 C ATOM 275 CG LYS A 15 -5.951 -2.857 9.661 1.00 0.00 C ATOM 276 CD LYS A 15 -5.602 -2.982 11.157 1.00 0.00 C ATOM 277 CE LYS A 15 -6.076 -1.810 12.035 1.00 0.00 C ATOM 278 NZ LYS A 15 -5.486 -0.510 11.676 1.00 0.00 N ATOM 0 H LYS A 15 -6.901 -2.001 7.398 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.024 -1.670 6.980 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.877 -2.400 9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.951 -1.025 9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.904 -2.340 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.074 -3.850 9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.039 -3.904 11.541 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.521 -3.076 11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.161 -1.735 11.967 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.837 -2.030 13.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.616 0.159 12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.470 -0.630 11.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.955 -0.139 10.825 1.00 0.00 H new ATOM 292 N TRP A 16 -3.378 -4.176 6.810 1.00 0.00 N ATOM 293 CA TRP A 16 -3.127 -5.588 6.572 1.00 0.00 C ATOM 294 C TRP A 16 -3.421 -6.353 7.864 1.00 0.00 C ATOM 295 O TRP A 16 -3.202 -5.846 8.967 1.00 0.00 O ATOM 296 CB TRP A 16 -1.713 -5.814 6.017 1.00 0.00 C ATOM 297 CG TRP A 16 -1.564 -5.646 4.528 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.942 -4.636 3.878 1.00 0.00 C ATOM 299 CD2 TRP A 16 -2.060 -6.528 3.479 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.935 -4.881 2.516 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.652 -6.014 2.213 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.831 -7.706 3.471 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.978 -6.642 1.005 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -3.186 -8.334 2.264 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.740 -7.820 1.034 1.00 0.00 C ATOM 0 H TRP A 16 -2.546 -3.585 6.822 1.00 0.00 H new ATOM 0 HA TRP A 16 -3.791 -5.975 5.799 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -1.033 -5.122 6.513 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -1.394 -6.821 6.285 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.513 -3.766 4.353 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -0.460 -4.297 1.827 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.155 -8.135 4.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.648 -6.226 0.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.806 -9.218 2.282 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.983 -8.330 0.114 1.00 0.00 H new ATOM 316 N GLY A 17 -3.992 -7.541 7.722 1.00 0.00 N ATOM 317 CA GLY A 17 -4.586 -8.325 8.790 1.00 0.00 C ATOM 318 C GLY A 17 -3.965 -9.715 8.807 1.00 0.00 C ATOM 319 O GLY A 17 -3.103 -10.019 7.976 1.00 0.00 O ATOM 0 H GLY A 17 -4.055 -8.004 6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.426 -7.832 9.749 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.664 -8.399 8.645 1.00 0.00 H new ATOM 323 N PRO A 18 -4.362 -10.566 9.757 1.00 0.00 N ATOM 324 CA PRO A 18 -3.788 -11.885 9.900 1.00 0.00 C ATOM 325 C PRO A 18 -4.287 -12.769 8.758 1.00 0.00 C ATOM 326 O PRO A 18 -5.272 -12.456 8.093 1.00 0.00 O ATOM 327 CB PRO A 18 -4.286 -12.385 11.253 1.00 0.00 C ATOM 328 CG PRO A 18 -5.677 -11.762 11.318 1.00 0.00 C ATOM 329 CD PRO A 18 -5.493 -10.395 10.655 1.00 0.00 C ATOM 0 HA PRO A 18 -2.699 -11.891 9.858 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.322 -13.473 11.300 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.649 -12.052 12.073 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.412 -12.368 10.789 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.025 -11.665 12.346 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.389 -10.096 10.110 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.296 -9.620 11.395 1.00 0.00 H new ATOM 337 N ALA A 19 -3.579 -13.866 8.514 1.00 0.00 N ATOM 338 CA ALA A 19 -3.828 -14.941 7.577 1.00 0.00 C ATOM 339 C ALA A 19 -3.429 -14.456 6.198 1.00 0.00 C ATOM 340 O ALA A 19 -2.525 -14.986 5.567 1.00 0.00 O ATOM 341 CB ALA A 19 -5.246 -15.466 7.734 1.00 0.00 C ATOM 0 H ALA A 19 -2.717 -14.037 9.032 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.217 -15.822 7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.416 -16.274 7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.385 -15.841 8.748 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.955 -14.660 7.545 1.00 0.00 H new ATOM 347 N SER A 20 -4.000 -13.326 5.825 1.00 0.00 N ATOM 348 CA SER A 20 -3.509 -12.426 4.807 1.00 0.00 C ATOM 349 C SER A 20 -1.971 -12.386 4.776 1.00 0.00 C ATOM 350 O SER A 20 -1.378 -12.536 3.713 1.00 0.00 O ATOM 351 CB SER A 20 -4.081 -11.044 5.129 1.00 0.00 C ATOM 352 OG SER A 20 -5.099 -10.708 4.197 1.00 0.00 O ATOM 0 H SER A 20 -4.867 -12.996 6.250 1.00 0.00 H new ATOM 0 HA SER A 20 -3.824 -12.764 3.820 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.486 -11.036 6.141 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.288 -10.297 5.098 1.00 0.00 H new ATOM 0 HG SER A 20 -4.797 -10.926 3.290 1.00 0.00 H new ATOM 358 N GLN A 21 -1.308 -12.185 5.923 1.00 0.00 N ATOM 359 CA GLN A 21 0.153 -12.161 5.941 1.00 0.00 C ATOM 360 C GLN A 21 0.750 -13.456 5.381 1.00 0.00 C ATOM 361 O GLN A 21 1.738 -13.403 4.656 1.00 0.00 O ATOM 362 CB GLN A 21 0.723 -11.931 7.351 1.00 0.00 C ATOM 363 CG GLN A 21 0.211 -10.711 8.128 1.00 0.00 C ATOM 364 CD GLN A 21 0.481 -9.343 7.501 1.00 0.00 C ATOM 365 OE1 GLN A 21 -0.031 -8.325 7.965 1.00 0.00 O ATOM 366 NE2 GLN A 21 1.310 -9.275 6.473 1.00 0.00 N ATOM 0 H GLN A 21 -1.752 -12.040 6.830 1.00 0.00 H new ATOM 0 HA GLN A 21 0.435 -11.321 5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.518 -12.820 7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.806 -11.847 7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.865 -10.819 8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.659 -10.726 9.121 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.728 -10.126 6.098 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.532 -8.371 6.055 1.00 0.00 H new ATOM 375 N GLN A 22 0.177 -14.611 5.728 1.00 0.00 N ATOM 376 CA GLN A 22 0.653 -15.897 5.234 1.00 0.00 C ATOM 377 C GLN A 22 0.608 -15.841 3.732 1.00 0.00 C ATOM 378 O GLN A 22 1.564 -16.222 3.071 1.00 0.00 O ATOM 379 CB GLN A 22 -0.227 -17.066 5.696 1.00 0.00 C ATOM 380 CG GLN A 22 -0.186 -17.143 7.210 1.00 0.00 C ATOM 381 CD GLN A 22 -1.365 -17.887 7.824 1.00 0.00 C ATOM 382 OE1 GLN A 22 -1.839 -17.499 8.886 1.00 0.00 O ATOM 383 NE2 GLN A 22 -1.911 -18.912 7.186 1.00 0.00 N ATOM 0 H GLN A 22 -0.625 -14.677 6.355 1.00 0.00 H new ATOM 0 HA GLN A 22 1.657 -16.067 5.622 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.252 -16.925 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.128 -18.000 5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.738 -17.634 7.514 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.157 -16.131 7.615 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.515 -19.233 6.303 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.728 -19.380 7.578 1.00 0.00 H new ATOM 392 N ILE A 23 -0.509 -15.347 3.206 1.00 0.00 N ATOM 393 CA ILE A 23 -0.662 -15.298 1.779 1.00 0.00 C ATOM 394 C ILE A 23 0.418 -14.386 1.188 1.00 0.00 C ATOM 395 O ILE A 23 1.020 -14.714 0.173 1.00 0.00 O ATOM 396 CB ILE A 23 -2.082 -14.872 1.367 1.00 0.00 C ATOM 397 CG1 ILE A 23 -3.102 -16.003 1.552 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.114 -14.450 -0.110 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.511 -16.280 2.987 1.00 0.00 C ATOM 0 H ILE A 23 -1.298 -14.986 3.742 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.529 -16.300 1.372 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.350 -14.037 2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.996 -15.761 0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.687 -16.917 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.127 -14.152 -0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.436 -13.611 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.802 -15.287 -0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.234 -17.096 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.632 -16.559 3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.961 -15.385 3.416 1.00 0.00 H new ATOM 411 N LEU A 24 0.672 -13.232 1.805 1.00 0.00 N ATOM 412 CA LEU A 24 1.688 -12.315 1.311 1.00 0.00 C ATOM 413 C LEU A 24 3.033 -13.044 1.207 1.00 0.00 C ATOM 414 O LEU A 24 3.645 -13.090 0.138 1.00 0.00 O ATOM 415 CB LEU A 24 1.792 -11.089 2.230 1.00 0.00 C ATOM 416 CG LEU A 24 0.624 -10.099 2.106 1.00 0.00 C ATOM 417 CD1 LEU A 24 0.994 -8.811 2.839 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.297 -9.769 0.651 1.00 0.00 C ATOM 0 H LEU A 24 0.188 -12.915 2.645 1.00 0.00 H new ATOM 0 HA LEU A 24 1.407 -11.964 0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.855 -11.430 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.722 -10.564 2.010 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.259 -10.564 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.173 -8.098 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.182 -9.032 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.891 -8.383 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.535 -9.066 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.170 -9.323 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.023 -10.683 0.124 1.00 0.00 H new ATOM 430 N PHE A 25 3.485 -13.631 2.316 1.00 0.00 N ATOM 431 CA PHE A 25 4.705 -14.422 2.343 1.00 0.00 C ATOM 432 C PHE A 25 4.677 -15.509 1.263 1.00 0.00 C ATOM 433 O PHE A 25 5.641 -15.644 0.512 1.00 0.00 O ATOM 434 CB PHE A 25 4.920 -15.035 3.733 1.00 0.00 C ATOM 435 CG PHE A 25 5.337 -14.060 4.824 1.00 0.00 C ATOM 436 CD1 PHE A 25 6.641 -13.530 4.817 1.00 0.00 C ATOM 437 CD2 PHE A 25 4.502 -13.824 5.933 1.00 0.00 C ATOM 438 CE1 PHE A 25 7.119 -12.810 5.926 1.00 0.00 C ATOM 439 CE2 PHE A 25 4.939 -12.997 6.982 1.00 0.00 C ATOM 440 CZ PHE A 25 6.262 -12.526 7.003 1.00 0.00 C ATOM 0 H PHE A 25 3.012 -13.568 3.218 1.00 0.00 H new ATOM 0 HA PHE A 25 5.545 -13.761 2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.996 -15.524 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.681 -15.811 3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.277 -13.677 3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.524 -14.279 5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.145 -12.475 5.950 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.257 -12.723 7.773 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.619 -11.948 7.843 1.00 0.00 H new ATOM 450 N GLN A 26 3.590 -16.282 1.179 1.00 0.00 N ATOM 451 CA GLN A 26 3.513 -17.408 0.263 1.00 0.00 C ATOM 452 C GLN A 26 3.655 -16.909 -1.165 1.00 0.00 C ATOM 453 O GLN A 26 4.471 -17.426 -1.913 1.00 0.00 O ATOM 454 CB GLN A 26 2.284 -18.311 0.504 1.00 0.00 C ATOM 455 CG GLN A 26 1.039 -18.049 -0.364 1.00 0.00 C ATOM 456 CD GLN A 26 -0.169 -18.898 0.046 1.00 0.00 C ATOM 457 OE1 GLN A 26 -0.135 -19.632 1.030 1.00 0.00 O ATOM 458 NE2 GLN A 26 -1.260 -18.874 -0.702 1.00 0.00 N ATOM 0 H GLN A 26 2.750 -16.142 1.741 1.00 0.00 H new ATOM 0 HA GLN A 26 4.351 -18.076 0.461 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.590 -19.346 0.353 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.993 -18.214 1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.773 -16.994 -0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.281 -18.252 -1.407 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.303 -18.269 -1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.058 -19.460 -0.458 1.00 0.00 H new ATOM 467 N ALA A 27 2.921 -15.869 -1.553 1.00 0.00 N ATOM 468 CA ALA A 27 2.996 -15.333 -2.896 1.00 0.00 C ATOM 469 C ALA A 27 4.430 -14.913 -3.202 1.00 0.00 C ATOM 470 O ALA A 27 4.944 -15.204 -4.279 1.00 0.00 O ATOM 471 CB ALA A 27 2.027 -14.165 -3.031 1.00 0.00 C ATOM 0 H ALA A 27 2.263 -15.382 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 27 2.710 -16.095 -3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.083 -13.761 -4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.012 -14.510 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.292 -13.388 -2.314 1.00 0.00 H new ATOM 477 N TYR A 28 5.095 -14.277 -2.234 1.00 0.00 N ATOM 478 CA TYR A 28 6.488 -13.886 -2.380 1.00 0.00 C ATOM 479 C TYR A 28 7.428 -15.098 -2.467 1.00 0.00 C ATOM 480 O TYR A 28 8.591 -14.935 -2.839 1.00 0.00 O ATOM 481 CB TYR A 28 6.875 -12.929 -1.238 1.00 0.00 C ATOM 482 CG TYR A 28 8.057 -11.989 -1.440 1.00 0.00 C ATOM 483 CD1 TYR A 28 8.443 -11.532 -2.721 1.00 0.00 C ATOM 484 CD2 TYR A 28 8.687 -11.441 -0.307 1.00 0.00 C ATOM 485 CE1 TYR A 28 9.496 -10.610 -2.866 1.00 0.00 C ATOM 486 CE2 TYR A 28 9.699 -10.478 -0.457 1.00 0.00 C ATOM 487 CZ TYR A 28 10.128 -10.082 -1.731 1.00 0.00 C ATOM 488 OH TYR A 28 11.023 -9.064 -1.846 1.00 0.00 O ATOM 0 H TYR A 28 4.682 -14.023 -1.337 1.00 0.00 H new ATOM 0 HA TYR A 28 6.602 -13.360 -3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.002 -12.318 -1.009 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.081 -13.534 -0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.925 -11.894 -3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 28 8.392 -11.762 0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.818 -10.309 -3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.151 -10.038 0.419 1.00 0.00 H new ATOM 0 HH TYR A 28 11.559 -9.190 -2.657 1.00 0.00 H new ATOM 498 N GLU A 29 6.975 -16.297 -2.093 1.00 0.00 N ATOM 499 CA GLU A 29 7.627 -17.556 -2.424 1.00 0.00 C ATOM 500 C GLU A 29 7.259 -17.946 -3.862 1.00 0.00 C ATOM 501 O GLU A 29 8.134 -18.322 -4.642 1.00 0.00 O ATOM 502 CB GLU A 29 7.290 -18.646 -1.374 1.00 0.00 C ATOM 503 CG GLU A 29 6.639 -19.925 -1.931 1.00 0.00 C ATOM 504 CD GLU A 29 6.803 -21.110 -1.012 1.00 0.00 C ATOM 505 OE1 GLU A 29 6.521 -20.983 0.196 1.00 0.00 O ATOM 506 OE2 GLU A 29 7.273 -22.144 -1.536 1.00 0.00 O ATOM 0 H GLU A 29 6.126 -16.417 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 29 8.711 -17.445 -2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.208 -18.923 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.622 -18.214 -0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.577 -19.744 -2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.079 -20.159 -2.901 1.00 0.00 H new ATOM 513 N ARG A 30 5.978 -17.862 -4.229 1.00 0.00 N ATOM 514 CA ARG A 30 5.451 -18.571 -5.385 1.00 0.00 C ATOM 515 C ARG A 30 5.969 -17.866 -6.632 1.00 0.00 C ATOM 516 O ARG A 30 6.550 -18.512 -7.504 1.00 0.00 O ATOM 517 CB ARG A 30 3.907 -18.561 -5.402 1.00 0.00 C ATOM 518 CG ARG A 30 3.176 -19.332 -4.287 1.00 0.00 C ATOM 519 CD ARG A 30 3.528 -20.820 -4.252 1.00 0.00 C ATOM 520 NE ARG A 30 2.758 -21.553 -3.231 1.00 0.00 N ATOM 521 CZ ARG A 30 2.852 -22.880 -3.049 1.00 0.00 C ATOM 522 NH1 ARG A 30 3.704 -23.580 -3.788 1.00 0.00 N ATOM 523 NH2 ARG A 30 2.099 -23.480 -2.138 1.00 0.00 N ATOM 0 H ARG A 30 5.285 -17.302 -3.733 1.00 0.00 H new ATOM 0 HA ARG A 30 5.775 -19.611 -5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.577 -17.523 -5.364 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.579 -18.965 -6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.422 -18.885 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.100 -19.223 -4.424 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.338 -21.259 -5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.593 -20.934 -4.052 1.00 0.00 H new ATOM 0 HE ARG A 30 2.122 -21.026 -2.633 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.280 -23.109 -4.486 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.783 -24.589 -3.658 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.448 -22.934 -1.575 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.171 -24.488 -2.000 1.00 0.00 H new ATOM 537 N GLN A 31 5.840 -16.543 -6.695 1.00 0.00 N ATOM 538 CA GLN A 31 6.394 -15.743 -7.769 1.00 0.00 C ATOM 539 C GLN A 31 6.932 -14.455 -7.152 1.00 0.00 C ATOM 540 O GLN A 31 6.175 -13.666 -6.594 1.00 0.00 O ATOM 541 CB GLN A 31 5.314 -15.496 -8.827 1.00 0.00 C ATOM 542 CG GLN A 31 5.926 -15.118 -10.180 1.00 0.00 C ATOM 543 CD GLN A 31 4.819 -14.925 -11.203 1.00 0.00 C ATOM 544 OE1 GLN A 31 4.605 -15.752 -12.084 1.00 0.00 O ATOM 545 NE2 GLN A 31 4.062 -13.847 -11.088 1.00 0.00 N ATOM 0 H GLN A 31 5.342 -15.997 -5.992 1.00 0.00 H new ATOM 0 HA GLN A 31 7.215 -16.249 -8.277 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.704 -16.392 -8.941 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.651 -14.699 -8.492 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.510 -14.203 -10.084 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.610 -15.899 -10.512 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.251 -13.167 -10.351 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.289 -13.695 -11.736 1.00 0.00 H new ATOM 554 N LYS A 32 8.243 -14.234 -7.236 1.00 0.00 N ATOM 555 CA LYS A 32 8.811 -12.967 -6.817 1.00 0.00 C ATOM 556 C LYS A 32 8.285 -11.866 -7.730 1.00 0.00 C ATOM 557 O LYS A 32 7.971 -10.770 -7.266 1.00 0.00 O ATOM 558 CB LYS A 32 10.339 -12.996 -6.912 1.00 0.00 C ATOM 559 CG LYS A 32 11.032 -13.928 -5.916 1.00 0.00 C ATOM 560 CD LYS A 32 11.049 -13.350 -4.499 1.00 0.00 C ATOM 561 CE LYS A 32 11.819 -14.226 -3.506 1.00 0.00 C ATOM 562 NZ LYS A 32 13.167 -14.641 -3.956 1.00 0.00 N ATOM 0 H LYS A 32 8.920 -14.911 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 32 8.526 -12.782 -5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.619 -13.295 -7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.716 -11.984 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.522 -14.891 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.055 -14.111 -6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.497 -12.357 -4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.024 -13.229 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.917 -13.684 -2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.230 -15.119 -3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.671 -15.097 -3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.078 -15.312 -4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.701 -13.805 -4.270 1.00 0.00 H new ATOM 576 N ASN A 33 8.275 -12.124 -9.038 1.00 0.00 N ATOM 577 CA ASN A 33 7.983 -11.092 -10.026 1.00 0.00 C ATOM 578 C ASN A 33 6.474 -10.833 -10.113 1.00 0.00 C ATOM 579 O ASN A 33 5.698 -11.786 -10.177 1.00 0.00 O ATOM 580 CB ASN A 33 8.574 -11.459 -11.396 1.00 0.00 C ATOM 581 CG ASN A 33 9.763 -10.564 -11.725 1.00 0.00 C ATOM 582 OD1 ASN A 33 9.603 -9.546 -12.392 1.00 0.00 O ATOM 583 ND2 ASN A 33 10.955 -10.881 -11.233 1.00 0.00 N ATOM 0 H ASN A 33 8.467 -13.043 -9.436 1.00 0.00 H new ATOM 0 HA ASN A 33 8.458 -10.166 -9.703 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.887 -12.503 -11.395 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.810 -11.356 -12.167 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.756 -10.274 -11.407 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.069 -11.731 -10.681 1.00 0.00 H new ATOM 590 N PRO A 34 6.030 -9.565 -10.115 1.00 0.00 N ATOM 591 CA PRO A 34 4.622 -9.211 -10.141 1.00 0.00 C ATOM 592 C PRO A 34 4.066 -9.371 -11.564 1.00 0.00 C ATOM 593 O PRO A 34 3.799 -8.377 -12.244 1.00 0.00 O ATOM 594 CB PRO A 34 4.578 -7.756 -9.648 1.00 0.00 C ATOM 595 CG PRO A 34 5.898 -7.193 -10.158 1.00 0.00 C ATOM 596 CD PRO A 34 6.839 -8.373 -9.953 1.00 0.00 C ATOM 0 HA PRO A 34 4.003 -9.851 -9.513 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.723 -7.216 -10.054 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.505 -7.698 -8.562 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.838 -6.895 -11.205 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.214 -6.315 -9.594 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.653 -8.353 -10.678 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.293 -8.342 -8.963 1.00 0.00 H new ATOM 604 N SER A 35 3.891 -10.600 -12.043 1.00 0.00 N ATOM 605 CA SER A 35 3.435 -10.835 -13.404 1.00 0.00 C ATOM 606 C SER A 35 1.972 -10.416 -13.585 1.00 0.00 C ATOM 607 O SER A 35 1.707 -9.361 -14.162 1.00 0.00 O ATOM 608 CB SER A 35 3.727 -12.280 -13.828 1.00 0.00 C ATOM 609 OG SER A 35 3.668 -12.425 -15.231 1.00 0.00 O ATOM 0 H SER A 35 4.060 -11.449 -11.504 1.00 0.00 H new ATOM 0 HA SER A 35 4.001 -10.198 -14.084 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.714 -12.573 -13.471 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.007 -12.951 -13.360 1.00 0.00 H new ATOM 0 HG SER A 35 3.860 -13.355 -15.472 1.00 0.00 H new ATOM 615 N LYS A 36 1.012 -11.231 -13.145 1.00 0.00 N ATOM 616 CA LYS A 36 -0.390 -11.075 -13.509 1.00 0.00 C ATOM 617 C LYS A 36 -1.258 -12.012 -12.661 1.00 0.00 C ATOM 618 O LYS A 36 -1.804 -11.581 -11.646 1.00 0.00 O ATOM 619 CB LYS A 36 -0.585 -11.286 -15.024 1.00 0.00 C ATOM 620 CG LYS A 36 0.360 -12.336 -15.636 1.00 0.00 C ATOM 621 CD LYS A 36 -0.041 -12.832 -17.029 1.00 0.00 C ATOM 622 CE LYS A 36 -0.276 -11.655 -17.982 1.00 0.00 C ATOM 623 NZ LYS A 36 0.009 -11.999 -19.387 1.00 0.00 N ATOM 0 H LYS A 36 1.190 -12.020 -12.524 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.712 -10.056 -13.295 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.616 -11.588 -15.209 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.435 -10.335 -15.535 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.363 -11.912 -15.692 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.413 -13.192 -14.963 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.741 -13.478 -17.428 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.947 -13.434 -16.958 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.311 -11.323 -17.896 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.354 -10.818 -17.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.165 -11.170 -19.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.003 -12.290 -19.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.609 -12.780 -19.685 1.00 0.00 H new ATOM 637 N GLU A 37 -1.348 -13.282 -13.062 1.00 0.00 N ATOM 638 CA GLU A 37 -1.976 -14.395 -12.362 1.00 0.00 C ATOM 639 C GLU A 37 -1.720 -14.281 -10.861 1.00 0.00 C ATOM 640 O GLU A 37 -2.658 -14.193 -10.076 1.00 0.00 O ATOM 641 CB GLU A 37 -1.407 -15.704 -12.955 1.00 0.00 C ATOM 642 CG GLU A 37 -2.456 -16.804 -13.152 1.00 0.00 C ATOM 643 CD GLU A 37 -1.895 -17.919 -14.008 1.00 0.00 C ATOM 644 OE1 GLU A 37 -1.856 -17.739 -15.242 1.00 0.00 O ATOM 645 OE2 GLU A 37 -1.478 -18.961 -13.459 1.00 0.00 O ATOM 0 H GLU A 37 -0.952 -13.577 -13.954 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.058 -14.386 -12.495 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.941 -15.484 -13.915 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.622 -16.078 -12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.764 -17.199 -12.184 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.346 -16.387 -13.624 1.00 0.00 H new ATOM 652 N GLU A 38 -0.436 -14.224 -10.506 1.00 0.00 N ATOM 653 CA GLU A 38 0.103 -13.942 -9.184 1.00 0.00 C ATOM 654 C GLU A 38 -0.758 -12.944 -8.405 1.00 0.00 C ATOM 655 O GLU A 38 -1.105 -13.202 -7.257 1.00 0.00 O ATOM 656 CB GLU A 38 1.568 -13.508 -9.364 1.00 0.00 C ATOM 657 CG GLU A 38 2.113 -12.455 -8.388 1.00 0.00 C ATOM 658 CD GLU A 38 1.791 -11.035 -8.818 1.00 0.00 C ATOM 659 OE1 GLU A 38 1.823 -10.772 -10.042 1.00 0.00 O ATOM 660 OE2 GLU A 38 1.542 -10.173 -7.951 1.00 0.00 O ATOM 0 H GLU A 38 0.305 -14.386 -11.188 1.00 0.00 H new ATOM 0 HA GLU A 38 0.079 -14.836 -8.560 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.195 -14.396 -9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.684 -13.122 -10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.696 -12.634 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.194 -12.568 -8.304 1.00 0.00 H new ATOM 667 N ARG A 39 -1.111 -11.812 -9.007 1.00 0.00 N ATOM 668 CA ARG A 39 -1.814 -10.751 -8.306 1.00 0.00 C ATOM 669 C ARG A 39 -3.264 -11.154 -8.039 1.00 0.00 C ATOM 670 O ARG A 39 -3.782 -10.930 -6.947 1.00 0.00 O ATOM 671 CB ARG A 39 -1.731 -9.435 -9.082 1.00 0.00 C ATOM 672 CG ARG A 39 -1.286 -8.301 -8.142 1.00 0.00 C ATOM 673 CD ARG A 39 -1.014 -6.985 -8.884 1.00 0.00 C ATOM 674 NE ARG A 39 -0.497 -7.182 -10.248 1.00 0.00 N ATOM 675 CZ ARG A 39 0.705 -7.665 -10.595 1.00 0.00 C ATOM 676 NH1 ARG A 39 1.488 -8.198 -9.669 1.00 0.00 N ATOM 677 NH2 ARG A 39 1.119 -7.637 -11.860 1.00 0.00 N ATOM 0 H ARG A 39 -0.918 -11.608 -9.988 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.329 -10.593 -7.343 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.026 -9.533 -9.907 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.701 -9.198 -9.518 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.057 -8.136 -7.389 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.384 -8.607 -7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.936 -6.406 -8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.297 -6.395 -8.313 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.121 -6.923 -11.012 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.175 -8.239 -8.699 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.403 -8.567 -9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.519 -7.243 -12.585 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.037 -8.009 -12.105 1.00 0.00 H new ATOM 691 N GLU A 40 -3.922 -11.730 -9.048 1.00 0.00 N ATOM 692 CA GLU A 40 -5.288 -12.215 -8.928 1.00 0.00 C ATOM 693 C GLU A 40 -5.339 -13.266 -7.814 1.00 0.00 C ATOM 694 O GLU A 40 -6.098 -13.122 -6.859 1.00 0.00 O ATOM 695 CB GLU A 40 -5.791 -12.714 -10.298 1.00 0.00 C ATOM 696 CG GLU A 40 -6.960 -11.867 -10.845 1.00 0.00 C ATOM 697 CD GLU A 40 -6.860 -11.562 -12.322 1.00 0.00 C ATOM 698 OE1 GLU A 40 -6.535 -12.478 -13.104 1.00 0.00 O ATOM 699 OE2 GLU A 40 -7.099 -10.386 -12.683 1.00 0.00 O ATOM 0 H GLU A 40 -3.515 -11.871 -9.973 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.972 -11.417 -8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.968 -12.695 -11.012 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.110 -13.752 -10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.896 -12.393 -10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.004 -10.928 -10.293 1.00 0.00 H new ATOM 706 N THR A 41 -4.441 -14.249 -7.896 1.00 0.00 N ATOM 707 CA THR A 41 -4.146 -15.204 -6.845 1.00 0.00 C ATOM 708 C THR A 41 -4.050 -14.461 -5.516 1.00 0.00 C ATOM 709 O THR A 41 -4.805 -14.754 -4.605 1.00 0.00 O ATOM 710 CB THR A 41 -2.846 -15.952 -7.203 1.00 0.00 C ATOM 711 OG1 THR A 41 -3.125 -17.104 -7.974 1.00 0.00 O ATOM 712 CG2 THR A 41 -1.952 -16.343 -6.024 1.00 0.00 C ATOM 0 H THR A 41 -3.880 -14.401 -8.734 1.00 0.00 H new ATOM 0 HA THR A 41 -4.937 -15.948 -6.749 1.00 0.00 H new ATOM 0 HB THR A 41 -2.275 -15.220 -7.775 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.287 -17.563 -8.192 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.068 -16.863 -6.394 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.647 -15.446 -5.486 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.504 -17.000 -5.351 1.00 0.00 H new ATOM 720 N LEU A 42 -3.158 -13.482 -5.401 1.00 0.00 N ATOM 721 CA LEU A 42 -2.917 -12.783 -4.151 1.00 0.00 C ATOM 722 C LEU A 42 -4.212 -12.250 -3.567 1.00 0.00 C ATOM 723 O LEU A 42 -4.537 -12.542 -2.419 1.00 0.00 O ATOM 724 CB LEU A 42 -1.907 -11.646 -4.364 1.00 0.00 C ATOM 725 CG LEU A 42 -0.565 -12.007 -3.731 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.580 -11.340 -4.482 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.555 -11.563 -2.268 1.00 0.00 C ATOM 0 H LEU A 42 -2.582 -13.153 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.497 -13.492 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.776 -11.461 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.288 -10.724 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.430 -13.087 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.527 -11.610 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.578 -11.674 -5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.455 -10.258 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.403 -11.821 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.703 -10.484 -2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.358 -12.067 -1.729 1.00 0.00 H new ATOM 739 N VAL A 43 -4.937 -11.444 -4.336 1.00 0.00 N ATOM 740 CA VAL A 43 -6.146 -10.828 -3.828 1.00 0.00 C ATOM 741 C VAL A 43 -7.174 -11.904 -3.468 1.00 0.00 C ATOM 742 O VAL A 43 -7.836 -11.778 -2.442 1.00 0.00 O ATOM 743 CB VAL A 43 -6.662 -9.751 -4.796 1.00 0.00 C ATOM 744 CG1 VAL A 43 -7.906 -9.065 -4.220 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.588 -8.672 -4.986 1.00 0.00 C ATOM 0 H VAL A 43 -4.708 -11.207 -5.301 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.931 -10.296 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.903 -10.234 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.258 -8.305 -4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.690 -9.806 -4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.655 -8.596 -3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.956 -7.909 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.358 -8.214 -4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.686 -9.125 -5.397 1.00 0.00 H new ATOM 755 N GLU A 44 -7.299 -12.958 -4.273 1.00 0.00 N ATOM 756 CA GLU A 44 -8.205 -14.070 -4.032 1.00 0.00 C ATOM 757 C GLU A 44 -7.857 -14.774 -2.715 1.00 0.00 C ATOM 758 O GLU A 44 -8.657 -14.825 -1.785 1.00 0.00 O ATOM 759 CB GLU A 44 -8.127 -15.013 -5.243 1.00 0.00 C ATOM 760 CG GLU A 44 -8.997 -16.267 -5.136 1.00 0.00 C ATOM 761 CD GLU A 44 -10.448 -15.938 -4.875 1.00 0.00 C ATOM 762 OE1 GLU A 44 -10.961 -15.000 -5.520 1.00 0.00 O ATOM 763 OE2 GLU A 44 -11.092 -16.642 -4.075 1.00 0.00 O ATOM 0 H GLU A 44 -6.758 -13.061 -5.131 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.231 -13.719 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.419 -14.460 -6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.090 -15.318 -5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.917 -16.841 -6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.620 -16.900 -4.333 1.00 0.00 H new ATOM 770 N GLU A 45 -6.649 -15.316 -2.631 1.00 0.00 N ATOM 771 CA GLU A 45 -6.150 -16.060 -1.490 1.00 0.00 C ATOM 772 C GLU A 45 -6.285 -15.185 -0.233 1.00 0.00 C ATOM 773 O GLU A 45 -6.735 -15.651 0.814 1.00 0.00 O ATOM 774 CB GLU A 45 -4.699 -16.495 -1.774 1.00 0.00 C ATOM 775 CG GLU A 45 -4.454 -18.004 -1.923 1.00 0.00 C ATOM 776 CD GLU A 45 -3.631 -18.299 -3.171 1.00 0.00 C ATOM 777 OE1 GLU A 45 -2.385 -18.255 -3.073 1.00 0.00 O ATOM 778 OE2 GLU A 45 -4.259 -18.542 -4.225 1.00 0.00 O ATOM 0 H GLU A 45 -5.967 -15.245 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.728 -16.967 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.368 -16.003 -2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.067 -16.125 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.935 -18.381 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.408 -18.528 -1.979 1.00 0.00 H new ATOM 785 N CYS A 46 -5.901 -13.910 -0.320 1.00 0.00 N ATOM 786 CA CYS A 46 -5.970 -13.010 0.828 1.00 0.00 C ATOM 787 C CYS A 46 -7.432 -12.789 1.204 1.00 0.00 C ATOM 788 O CYS A 46 -7.761 -12.817 2.386 1.00 0.00 O ATOM 789 CB CYS A 46 -5.322 -11.652 0.528 1.00 0.00 C ATOM 790 SG CYS A 46 -3.575 -11.612 0.965 1.00 0.00 S ATOM 0 H CYS A 46 -5.540 -13.480 -1.172 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.424 -13.473 1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.434 -11.426 -0.532 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.849 -10.872 1.077 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.195 -10.379 1.124 1.00 0.00 H new ATOM 796 N ASN A 47 -8.309 -12.551 0.218 1.00 0.00 N ATOM 797 CA ASN A 47 -9.755 -12.391 0.415 1.00 0.00 C ATOM 798 C ASN A 47 -10.256 -13.556 1.245 1.00 0.00 C ATOM 799 O ASN A 47 -10.831 -13.398 2.319 1.00 0.00 O ATOM 800 CB ASN A 47 -10.525 -12.420 -0.924 1.00 0.00 C ATOM 801 CG ASN A 47 -11.052 -11.063 -1.336 1.00 0.00 C ATOM 802 OD1 ASN A 47 -12.153 -10.678 -0.963 1.00 0.00 O ATOM 803 ND2 ASN A 47 -10.270 -10.322 -2.105 1.00 0.00 N ATOM 0 H ASN A 47 -8.026 -12.463 -0.758 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.922 -11.430 0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.868 -12.800 -1.706 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.359 -13.117 -0.842 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.579 -9.398 -2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.359 -10.675 -2.397 1.00 0.00 H new ATOM 810 N ARG A 48 -10.011 -14.743 0.708 1.00 0.00 N ATOM 811 CA ARG A 48 -10.409 -16.015 1.256 1.00 0.00 C ATOM 812 C ARG A 48 -9.947 -16.086 2.707 1.00 0.00 C ATOM 813 O ARG A 48 -10.742 -16.315 3.612 1.00 0.00 O ATOM 814 CB ARG A 48 -9.792 -17.087 0.353 1.00 0.00 C ATOM 815 CG ARG A 48 -10.363 -18.482 0.583 1.00 0.00 C ATOM 816 CD ARG A 48 -9.955 -19.378 -0.595 1.00 0.00 C ATOM 817 NE ARG A 48 -10.585 -18.943 -1.857 1.00 0.00 N ATOM 818 CZ ARG A 48 -11.838 -19.246 -2.226 1.00 0.00 C ATOM 819 NH1 ARG A 48 -12.643 -19.891 -1.382 1.00 0.00 N ATOM 820 NH2 ARG A 48 -12.277 -18.888 -3.428 1.00 0.00 N ATOM 0 H ARG A 48 -9.501 -14.840 -0.170 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.489 -16.165 1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.949 -16.807 -0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.715 -17.113 0.518 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.988 -18.895 1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.449 -18.437 0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.871 -19.362 -0.705 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.239 -20.409 -0.383 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.028 -18.372 -2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.306 -20.154 -0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.596 -20.122 -1.662 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.661 -18.384 -4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.230 -19.117 -3.712 1.00 0.00 H new ATOM 834 N ALA A 49 -8.666 -15.830 2.951 1.00 0.00 N ATOM 835 CA ALA A 49 -8.130 -15.826 4.301 1.00 0.00 C ATOM 836 C ALA A 49 -8.825 -14.818 5.211 1.00 0.00 C ATOM 837 O ALA A 49 -9.154 -15.145 6.349 1.00 0.00 O ATOM 838 CB ALA A 49 -6.625 -15.616 4.257 1.00 0.00 C ATOM 0 H ALA A 49 -7.980 -15.622 2.226 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.333 -16.801 4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.228 -15.614 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.162 -16.422 3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.405 -14.661 3.779 1.00 0.00 H new ATOM 844 N GLU A 50 -9.088 -13.609 4.733 1.00 0.00 N ATOM 845 CA GLU A 50 -9.786 -12.625 5.539 1.00 0.00 C ATOM 846 C GLU A 50 -11.265 -12.989 5.712 1.00 0.00 C ATOM 847 O GLU A 50 -11.916 -12.471 6.623 1.00 0.00 O ATOM 848 CB GLU A 50 -9.521 -11.219 5.003 1.00 0.00 C ATOM 849 CG GLU A 50 -8.229 -10.603 5.571 1.00 0.00 C ATOM 850 CD GLU A 50 -8.458 -9.836 6.867 1.00 0.00 C ATOM 851 OE1 GLU A 50 -9.305 -10.273 7.683 1.00 0.00 O ATOM 852 OE2 GLU A 50 -7.776 -8.803 7.040 1.00 0.00 O ATOM 0 H GLU A 50 -8.830 -13.291 3.799 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.389 -12.631 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.454 -11.255 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.365 -10.575 5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.502 -11.395 5.747 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.796 -9.932 4.829 1.00 0.00 H new ATOM 859 N CYS A 51 -11.797 -13.915 4.909 1.00 0.00 N ATOM 860 CA CYS A 51 -13.048 -14.573 5.264 1.00 0.00 C ATOM 861 C CYS A 51 -12.880 -15.382 6.546 1.00 0.00 C ATOM 862 O CYS A 51 -13.745 -15.328 7.410 1.00 0.00 O ATOM 863 CB CYS A 51 -13.671 -15.408 4.130 1.00 0.00 C ATOM 864 SG CYS A 51 -13.621 -17.200 4.420 1.00 0.00 S ATOM 0 H CYS A 51 -11.387 -14.219 4.026 1.00 0.00 H new ATOM 0 HA CYS A 51 -13.771 -13.777 5.443 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -14.708 -15.101 3.994 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.148 -15.186 3.200 1.00 0.00 H new ATOM 0 HG CYS A 51 -14.657 -17.555 5.121 1.00 0.00 H new ATOM 870 N ILE A 52 -11.760 -16.087 6.728 1.00 0.00 N ATOM 871 CA ILE A 52 -11.604 -17.042 7.821 1.00 0.00 C ATOM 872 C ILE A 52 -11.663 -16.298 9.151 1.00 0.00 C ATOM 873 O ILE A 52 -12.274 -16.785 10.103 1.00 0.00 O ATOM 874 CB ILE A 52 -10.297 -17.847 7.667 1.00 0.00 C ATOM 875 CG1 ILE A 52 -10.316 -18.640 6.350 1.00 0.00 C ATOM 876 CG2 ILE A 52 -10.090 -18.793 8.856 1.00 0.00 C ATOM 877 CD1 ILE A 52 -9.002 -19.379 6.093 1.00 0.00 C ATOM 0 H ILE A 52 -10.942 -16.010 6.124 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.420 -17.764 7.794 1.00 0.00 H new ATOM 0 HB ILE A 52 -9.464 -17.145 7.646 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -11.135 -19.359 6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -10.514 -17.959 5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.162 -19.348 8.722 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.036 -18.213 9.777 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -10.925 -19.491 8.915 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.069 -19.923 5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.185 -18.660 6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.815 -20.082 6.905 1.00 0.00 H new ATOM 889 N GLN A 53 -11.101 -15.086 9.197 1.00 0.00 N ATOM 890 CA GLN A 53 -11.208 -14.220 10.369 1.00 0.00 C ATOM 891 C GLN A 53 -12.629 -14.085 10.883 1.00 0.00 C ATOM 892 O GLN A 53 -12.813 -13.710 12.043 1.00 0.00 O ATOM 893 CB GLN A 53 -10.751 -12.791 10.072 1.00 0.00 C ATOM 894 CG GLN A 53 -9.286 -12.619 10.478 1.00 0.00 C ATOM 895 CD GLN A 53 -8.315 -13.346 9.568 1.00 0.00 C ATOM 896 OE1 GLN A 53 -7.813 -14.421 9.890 1.00 0.00 O ATOM 897 NE2 GLN A 53 -7.965 -12.693 8.477 1.00 0.00 N ATOM 0 H GLN A 53 -10.564 -14.683 8.429 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.572 -14.705 11.110 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.871 -12.574 9.011 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.374 -12.080 10.615 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.041 -11.557 10.482 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.155 -12.981 11.498 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.410 -11.803 8.250 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.250 -13.078 7.860 1.00 0.00 H new ATOM 906 N ARG A 54 -13.615 -14.238 10.007 1.00 0.00 N ATOM 907 CA ARG A 54 -14.979 -13.910 10.323 1.00 0.00 C ATOM 908 C ARG A 54 -15.995 -14.901 9.766 1.00 0.00 C ATOM 909 O ARG A 54 -17.192 -14.626 9.869 1.00 0.00 O ATOM 910 CB ARG A 54 -15.242 -12.464 9.861 1.00 0.00 C ATOM 911 CG ARG A 54 -15.124 -11.452 11.010 1.00 0.00 C ATOM 912 CD ARG A 54 -15.966 -11.791 12.254 1.00 0.00 C ATOM 913 NE ARG A 54 -17.055 -12.721 11.923 1.00 0.00 N ATOM 914 CZ ARG A 54 -17.693 -13.534 12.777 1.00 0.00 C ATOM 915 NH1 ARG A 54 -17.510 -13.390 14.084 1.00 0.00 N ATOM 916 NH2 ARG A 54 -18.489 -14.493 12.312 1.00 0.00 N ATOM 0 H ARG A 54 -13.480 -14.594 9.061 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.115 -13.984 11.402 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.533 -12.202 9.075 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -16.239 -12.400 9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.077 -11.378 11.305 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.422 -10.470 10.643 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.327 -12.233 13.019 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.382 -10.876 12.675 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.355 -12.751 10.948 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.886 -12.663 14.435 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.993 -14.006 14.738 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.614 -14.609 11.306 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.975 -15.112 12.961 1.00 0.00 H new ATOM 930 N GLY A 55 -15.554 -16.017 9.193 1.00 0.00 N ATOM 931 CA GLY A 55 -16.381 -16.891 8.383 1.00 0.00 C ATOM 932 C GLY A 55 -16.775 -16.180 7.088 1.00 0.00 C ATOM 933 O GLY A 55 -16.380 -16.604 6.004 1.00 0.00 O ATOM 0 H GLY A 55 -14.591 -16.341 9.284 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.840 -17.809 8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.275 -17.177 8.937 1.00 0.00 H new ATOM 937 N VAL A 56 -17.549 -15.095 7.196 1.00 0.00 N ATOM 938 CA VAL A 56 -18.022 -14.272 6.091 1.00 0.00 C ATOM 939 C VAL A 56 -18.906 -15.115 5.165 1.00 0.00 C ATOM 940 O VAL A 56 -18.982 -16.334 5.314 1.00 0.00 O ATOM 941 CB VAL A 56 -16.812 -13.561 5.450 1.00 0.00 C ATOM 942 CG1 VAL A 56 -16.766 -13.525 3.921 1.00 0.00 C ATOM 943 CG2 VAL A 56 -16.678 -12.142 6.010 1.00 0.00 C ATOM 0 H VAL A 56 -17.875 -14.756 8.101 1.00 0.00 H new ATOM 0 HA VAL A 56 -18.679 -13.464 6.413 1.00 0.00 H new ATOM 0 HB VAL A 56 -15.962 -14.185 5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -15.869 -12.999 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -16.749 -14.544 3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -17.647 -13.007 3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -15.821 -11.649 5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -17.583 -11.577 5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -16.534 -12.189 7.089 1.00 0.00 H new ATOM 953 N SER A 57 -19.702 -14.503 4.293 1.00 0.00 N ATOM 954 CA SER A 57 -20.353 -15.295 3.267 1.00 0.00 C ATOM 955 C SER A 57 -19.276 -15.593 2.223 1.00 0.00 C ATOM 956 O SER A 57 -18.644 -14.643 1.768 1.00 0.00 O ATOM 957 CB SER A 57 -21.565 -14.554 2.713 1.00 0.00 C ATOM 958 OG SER A 57 -22.742 -15.269 3.068 1.00 0.00 O ATOM 0 H SER A 57 -19.904 -13.503 4.277 1.00 0.00 H new ATOM 0 HA SER A 57 -20.755 -16.234 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.604 -13.541 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.490 -14.465 1.629 1.00 0.00 H new ATOM 0 HG SER A 57 -23.528 -14.800 2.718 1.00 0.00 H new ATOM 964 N PRO A 58 -19.020 -16.860 1.865 1.00 0.00 N ATOM 965 CA PRO A 58 -17.867 -17.231 1.057 1.00 0.00 C ATOM 966 C PRO A 58 -17.846 -16.489 -0.280 1.00 0.00 C ATOM 967 O PRO A 58 -16.795 -16.068 -0.756 1.00 0.00 O ATOM 968 CB PRO A 58 -17.945 -18.753 0.892 1.00 0.00 C ATOM 969 CG PRO A 58 -19.409 -19.093 1.176 1.00 0.00 C ATOM 970 CD PRO A 58 -19.825 -18.026 2.187 1.00 0.00 C ATOM 0 HA PRO A 58 -16.932 -16.946 1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.654 -19.059 -0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.277 -19.263 1.586 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.015 -19.049 0.271 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.517 -20.098 1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -20.889 -17.803 2.109 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -19.643 -18.360 3.209 1.00 0.00 H new ATOM 978 N SER A 59 -19.018 -16.309 -0.877 1.00 0.00 N ATOM 979 CA SER A 59 -19.200 -15.624 -2.145 1.00 0.00 C ATOM 980 C SER A 59 -19.144 -14.098 -2.012 1.00 0.00 C ATOM 981 O SER A 59 -19.294 -13.395 -3.007 1.00 0.00 O ATOM 982 CB SER A 59 -20.550 -16.091 -2.702 1.00 0.00 C ATOM 983 OG SER A 59 -21.482 -16.245 -1.635 1.00 0.00 O ATOM 0 H SER A 59 -19.893 -16.647 -0.477 1.00 0.00 H new ATOM 0 HA SER A 59 -18.383 -15.873 -2.823 1.00 0.00 H new ATOM 0 HB2 SER A 59 -20.926 -15.367 -3.425 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.429 -17.036 -3.231 1.00 0.00 H new ATOM 0 HG SER A 59 -21.821 -15.365 -1.367 1.00 0.00 H new ATOM 989 N GLN A 60 -18.959 -13.574 -0.798 1.00 0.00 N ATOM 990 CA GLN A 60 -18.755 -12.162 -0.538 1.00 0.00 C ATOM 991 C GLN A 60 -17.555 -12.010 0.387 1.00 0.00 C ATOM 992 O GLN A 60 -17.667 -11.382 1.444 1.00 0.00 O ATOM 993 CB GLN A 60 -20.003 -11.541 0.102 1.00 0.00 C ATOM 994 CG GLN A 60 -21.229 -11.587 -0.813 1.00 0.00 C ATOM 995 CD GLN A 60 -22.233 -12.632 -0.353 1.00 0.00 C ATOM 996 OE1 GLN A 60 -22.422 -13.663 -0.989 1.00 0.00 O ATOM 997 NE2 GLN A 60 -22.878 -12.387 0.782 1.00 0.00 N ATOM 0 H GLN A 60 -18.948 -14.142 0.049 1.00 0.00 H new ATOM 0 HA GLN A 60 -18.570 -11.641 -1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.229 -12.067 1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -19.792 -10.505 0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -21.706 -10.607 -0.832 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -20.914 -11.808 -1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -22.702 -11.521 1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -23.549 -13.065 1.144 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.398 -12.517 -0.034 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.142 -12.114 0.574 1.00 0.00 C ATOM 1008 C ALA A 61 -14.857 -10.660 0.207 1.00 0.00 C ATOM 1009 O ALA A 61 -14.352 -9.892 1.018 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.020 -13.075 0.174 1.00 0.00 C ATOM 0 H ALA A 61 -16.309 -13.200 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.207 -12.170 1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.086 -12.758 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.268 -14.083 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.906 -13.070 -0.910 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.379 -10.198 -0.924 1.00 0.00 N ATOM 1017 CA GLN A 62 -15.300 -8.778 -1.254 1.00 0.00 C ATOM 1018 C GLN A 62 -16.022 -7.989 -0.143 1.00 0.00 C ATOM 1019 O GLN A 62 -15.688 -6.839 0.151 1.00 0.00 O ATOM 1020 CB GLN A 62 -15.830 -8.510 -2.668 1.00 0.00 C ATOM 1021 CG GLN A 62 -16.312 -7.076 -2.935 1.00 0.00 C ATOM 1022 CD GLN A 62 -17.753 -6.790 -2.528 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -18.698 -7.126 -3.237 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -17.965 -6.099 -1.415 1.00 0.00 N ATOM 0 H GLN A 62 -15.854 -10.774 -1.618 1.00 0.00 H new ATOM 0 HA GLN A 62 -14.265 -8.437 -1.283 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -15.043 -8.749 -3.383 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -16.656 -9.194 -2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -15.657 -6.385 -2.404 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -16.203 -6.865 -3.999 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -17.178 -5.822 -0.829 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -18.915 -5.845 -1.146 1.00 0.00 H new ATOM 1033 N GLY A 63 -17.027 -8.612 0.482 1.00 0.00 N ATOM 1034 CA GLY A 63 -17.788 -8.075 1.594 1.00 0.00 C ATOM 1035 C GLY A 63 -16.907 -7.459 2.676 1.00 0.00 C ATOM 1036 O GLY A 63 -17.269 -6.405 3.195 1.00 0.00 O ATOM 0 H GLY A 63 -17.338 -9.544 0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -18.480 -7.319 1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.390 -8.870 2.033 1.00 0.00 H new ATOM 1040 N LEU A 64 -15.749 -8.066 2.965 1.00 0.00 N ATOM 1041 CA LEU A 64 -14.722 -7.574 3.885 1.00 0.00 C ATOM 1042 C LEU A 64 -14.652 -6.046 3.928 1.00 0.00 C ATOM 1043 O LEU A 64 -14.503 -5.461 5.000 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.354 -8.111 3.444 1.00 0.00 C ATOM 1045 CG LEU A 64 -12.942 -9.496 3.956 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -14.079 -10.488 4.105 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -11.835 -10.067 3.063 1.00 0.00 C ATOM 0 H LEU A 64 -15.493 -8.958 2.541 1.00 0.00 H new ATOM 0 HA LEU A 64 -14.987 -7.925 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.337 -8.136 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.594 -7.396 3.758 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.575 -9.343 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.688 -11.437 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.811 -10.099 4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.556 -10.642 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.544 -11.052 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.201 -10.154 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.971 -9.402 3.084 1.00 0.00 H new ATOM 1059 N GLY A 65 -14.704 -5.400 2.764 1.00 0.00 N ATOM 1060 CA GLY A 65 -14.791 -3.957 2.647 1.00 0.00 C ATOM 1061 C GLY A 65 -13.618 -3.246 3.315 1.00 0.00 C ATOM 1062 O GLY A 65 -12.565 -3.065 2.701 1.00 0.00 O ATOM 0 H GLY A 65 -14.686 -5.879 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.826 -3.682 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.723 -3.615 3.096 1.00 0.00 H new ATOM 1066 N SER A 66 -13.766 -2.842 4.573 1.00 0.00 N ATOM 1067 CA SER A 66 -12.690 -2.230 5.331 1.00 0.00 C ATOM 1068 C SER A 66 -11.537 -3.221 5.506 1.00 0.00 C ATOM 1069 O SER A 66 -10.386 -2.805 5.601 1.00 0.00 O ATOM 1070 CB SER A 66 -13.226 -1.718 6.672 1.00 0.00 C ATOM 1071 OG SER A 66 -12.276 -0.876 7.308 1.00 0.00 O ATOM 0 H SER A 66 -14.639 -2.932 5.093 1.00 0.00 H new ATOM 0 HA SER A 66 -12.296 -1.372 4.786 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.154 -1.170 6.512 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.462 -2.562 7.320 1.00 0.00 H new ATOM 0 HG SER A 66 -12.639 -0.559 8.161 1.00 0.00 H new ATOM 1077 N ASN A 67 -11.825 -4.520 5.570 1.00 0.00 N ATOM 1078 CA ASN A 67 -10.791 -5.553 5.640 1.00 0.00 C ATOM 1079 C ASN A 67 -10.330 -5.978 4.248 1.00 0.00 C ATOM 1080 O ASN A 67 -9.369 -6.727 4.130 1.00 0.00 O ATOM 1081 CB ASN A 67 -11.317 -6.788 6.379 1.00 0.00 C ATOM 1082 CG ASN A 67 -11.291 -6.616 7.885 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -10.301 -6.904 8.547 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -12.367 -6.130 8.485 1.00 0.00 N ATOM 0 H ASN A 67 -12.777 -4.886 5.575 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.946 -5.125 6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.338 -6.993 6.057 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.716 -7.655 6.105 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.370 -5.996 9.496 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.192 -5.890 7.936 1.00 0.00 H new ATOM 1091 N LEU A 68 -11.054 -5.592 3.194 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.873 -6.235 1.903 1.00 0.00 C ATOM 1093 C LEU A 68 -9.478 -5.923 1.381 1.00 0.00 C ATOM 1094 O LEU A 68 -9.132 -4.755 1.195 1.00 0.00 O ATOM 1095 CB LEU A 68 -11.897 -5.723 0.890 1.00 0.00 C ATOM 1096 CG LEU A 68 -11.677 -6.258 -0.530 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -11.790 -7.781 -0.539 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.685 -5.636 -1.495 1.00 0.00 C ATOM 0 H LEU A 68 -11.756 -4.852 3.213 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.007 -7.309 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.896 -6.002 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.861 -4.634 0.868 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.675 -5.983 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.632 -8.152 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.036 -8.206 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.782 -8.074 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.516 -6.026 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.697 -5.885 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.562 -4.553 -1.501 1.00 0.00 H new ATOM 1110 N VAL A 69 -8.736 -6.970 1.056 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.546 -6.853 0.245 1.00 0.00 C ATOM 1112 C VAL A 69 -7.931 -6.321 -1.140 1.00 0.00 C ATOM 1113 O VAL A 69 -8.663 -6.969 -1.881 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.795 -8.191 0.207 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -7.746 -9.363 -0.064 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -5.650 -8.135 -0.810 1.00 0.00 C ATOM 0 H VAL A 69 -8.947 -7.924 1.350 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.851 -6.135 0.680 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.358 -8.365 1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.180 -10.294 -0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.497 -9.412 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.238 -9.217 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.128 -9.092 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.053 -7.927 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.953 -7.346 -0.530 1.00 0.00 H new ATOM 1126 N THR A 70 -7.455 -5.134 -1.496 1.00 0.00 N ATOM 1127 CA THR A 70 -7.579 -4.597 -2.838 1.00 0.00 C ATOM 1128 C THR A 70 -6.196 -4.565 -3.501 1.00 0.00 C ATOM 1129 O THR A 70 -5.194 -4.362 -2.808 1.00 0.00 O ATOM 1130 CB THR A 70 -8.210 -3.209 -2.736 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.452 -2.372 -1.874 1.00 0.00 O ATOM 1132 CG2 THR A 70 -9.634 -3.274 -2.181 1.00 0.00 C ATOM 0 H THR A 70 -6.967 -4.513 -0.851 1.00 0.00 H new ATOM 0 HA THR A 70 -8.219 -5.220 -3.462 1.00 0.00 H new ATOM 0 HB THR A 70 -8.227 -2.804 -3.748 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.775 -1.450 -1.947 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.048 -2.267 -2.124 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.253 -3.884 -2.838 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.616 -3.716 -1.185 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.144 -4.734 -4.823 1.00 0.00 N ATOM 1141 CA GLU A 71 -4.949 -4.894 -5.639 1.00 0.00 C ATOM 1142 C GLU A 71 -3.956 -3.805 -5.261 1.00 0.00 C ATOM 1143 O GLU A 71 -2.796 -4.090 -5.011 1.00 0.00 O ATOM 1144 CB GLU A 71 -5.264 -4.654 -7.121 1.00 0.00 C ATOM 1145 CG GLU A 71 -6.065 -5.766 -7.792 1.00 0.00 C ATOM 1146 CD GLU A 71 -7.549 -5.483 -7.665 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -7.936 -4.695 -6.773 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -8.290 -5.967 -8.537 1.00 0.00 O ATOM 0 H GLU A 71 -6.994 -4.764 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.566 -5.902 -5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.818 -3.720 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.326 -4.524 -7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.789 -5.841 -8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.828 -6.725 -7.331 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.407 -2.548 -5.213 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.536 -1.403 -4.976 1.00 0.00 C ATOM 1157 C VAL A 72 -2.708 -1.601 -3.704 1.00 0.00 C ATOM 1158 O VAL A 72 -1.566 -1.152 -3.602 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.371 -0.108 -4.935 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -5.199 0.031 -3.646 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -3.473 1.122 -5.118 1.00 0.00 C ATOM 0 H VAL A 72 -5.388 -2.300 -5.338 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.827 -1.315 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.076 -0.170 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.765 0.962 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.888 -0.810 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.532 0.040 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.082 2.025 -5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.733 1.155 -4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.965 1.061 -6.080 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.280 -2.271 -2.705 1.00 0.00 N ATOM 1172 CA ARG A 73 -2.579 -2.545 -1.473 1.00 0.00 C ATOM 1173 C ARG A 73 -1.474 -3.559 -1.725 1.00 0.00 C ATOM 1174 O ARG A 73 -0.364 -3.383 -1.236 1.00 0.00 O ATOM 1175 CB ARG A 73 -3.537 -3.097 -0.426 1.00 0.00 C ATOM 1176 CG ARG A 73 -3.059 -2.679 0.969 1.00 0.00 C ATOM 1177 CD ARG A 73 -3.743 -1.379 1.421 1.00 0.00 C ATOM 1178 NE ARG A 73 -2.804 -0.245 1.503 1.00 0.00 N ATOM 1179 CZ ARG A 73 -2.948 0.813 2.319 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -3.898 0.825 3.254 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -2.171 1.879 2.174 1.00 0.00 N ATOM 0 H ARG A 73 -4.234 -2.632 -2.735 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.148 -1.614 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.545 -2.722 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.584 -4.184 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.273 -3.474 1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.978 -2.541 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.545 -1.133 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.205 -1.535 2.396 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.985 -0.265 0.896 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.524 0.026 3.355 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.999 1.633 3.868 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.462 1.897 1.441 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.283 2.680 2.795 1.00 0.00 H new ATOM 1195 N VAL A 74 -1.787 -4.626 -2.458 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.808 -5.627 -2.842 1.00 0.00 C ATOM 1197 C VAL A 74 0.310 -4.929 -3.622 1.00 0.00 C ATOM 1198 O VAL A 74 1.489 -5.112 -3.336 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.489 -6.765 -3.626 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.479 -7.754 -4.214 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.452 -7.537 -2.717 1.00 0.00 C ATOM 0 H VAL A 74 -2.729 -4.816 -2.800 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.360 -6.099 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.031 -6.295 -4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.010 -8.536 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.190 -7.229 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.103 -8.202 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.925 -8.338 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.899 -7.964 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.217 -6.859 -2.338 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.059 -4.074 -4.571 1.00 0.00 N ATOM 1212 CA TYR A 75 0.878 -3.281 -5.336 1.00 0.00 C ATOM 1213 C TYR A 75 1.797 -2.519 -4.383 1.00 0.00 C ATOM 1214 O TYR A 75 3.011 -2.605 -4.508 1.00 0.00 O ATOM 1215 CB TYR A 75 0.128 -2.351 -6.299 1.00 0.00 C ATOM 1216 CG TYR A 75 0.929 -2.040 -7.543 1.00 0.00 C ATOM 1217 CD1 TYR A 75 1.971 -1.097 -7.495 1.00 0.00 C ATOM 1218 CD2 TYR A 75 0.743 -2.820 -8.700 1.00 0.00 C ATOM 1219 CE1 TYR A 75 2.797 -0.907 -8.617 1.00 0.00 C ATOM 1220 CE2 TYR A 75 1.578 -2.635 -9.813 1.00 0.00 C ATOM 1221 CZ TYR A 75 2.578 -1.654 -9.785 1.00 0.00 C ATOM 1222 OH TYR A 75 3.339 -1.444 -10.895 1.00 0.00 O ATOM 0 H TYR A 75 -1.033 -3.915 -4.829 1.00 0.00 H new ATOM 0 HA TYR A 75 1.502 -3.931 -5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.816 -2.814 -6.585 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.116 -1.421 -5.785 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.137 -0.519 -6.598 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.042 -3.561 -8.731 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.600 -0.186 -8.580 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.450 -3.249 -10.692 1.00 0.00 H new ATOM 0 HH TYR A 75 3.050 -2.050 -11.609 1.00 0.00 H new ATOM 1232 N ASN A 76 1.236 -1.804 -3.406 1.00 0.00 N ATOM 1233 CA ASN A 76 2.029 -1.083 -2.411 1.00 0.00 C ATOM 1234 C ASN A 76 2.919 -2.030 -1.602 1.00 0.00 C ATOM 1235 O ASN A 76 4.073 -1.705 -1.318 1.00 0.00 O ATOM 1236 CB ASN A 76 1.147 -0.248 -1.472 1.00 0.00 C ATOM 1237 CG ASN A 76 0.804 1.111 -2.070 1.00 0.00 C ATOM 1238 OD1 ASN A 76 1.567 2.064 -1.965 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -0.341 1.222 -2.733 1.00 0.00 N ATOM 0 H ASN A 76 0.228 -1.709 -3.283 1.00 0.00 H new ATOM 0 HA ASN A 76 2.673 -0.400 -2.964 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.227 -0.793 -1.259 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.662 -0.107 -0.522 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.597 2.110 -3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.965 0.419 -2.811 1.00 0.00 H new ATOM 1246 N TRP A 77 2.399 -3.184 -1.183 1.00 0.00 N ATOM 1247 CA TRP A 77 3.158 -4.141 -0.391 1.00 0.00 C ATOM 1248 C TRP A 77 4.374 -4.593 -1.200 1.00 0.00 C ATOM 1249 O TRP A 77 5.505 -4.374 -0.771 1.00 0.00 O ATOM 1250 CB TRP A 77 2.272 -5.298 0.117 1.00 0.00 C ATOM 1251 CG TRP A 77 2.708 -6.691 -0.227 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.260 -7.391 -1.288 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.640 -7.583 0.459 1.00 0.00 C ATOM 1254 NE1 TRP A 77 2.935 -8.583 -1.390 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.751 -8.784 -0.303 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.372 -7.526 1.664 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.543 -9.864 0.103 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 5.062 -8.656 2.139 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.188 -9.809 1.346 1.00 0.00 C ATOM 0 H TRP A 77 1.443 -3.477 -1.384 1.00 0.00 H new ATOM 0 HA TRP A 77 3.525 -3.666 0.519 1.00 0.00 H new ATOM 0 HB2 TRP A 77 2.205 -5.222 1.202 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.266 -5.151 -0.275 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.482 -7.062 -1.961 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.843 -9.233 -2.170 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.403 -6.605 2.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.656 -10.729 -0.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.500 -8.637 3.126 1.00 0.00 H new ATOM 0 HH2 TRP A 77 5.777 -10.646 1.691 1.00 0.00 H new ATOM 1270 N PHE A 78 4.158 -5.177 -2.382 1.00 0.00 N ATOM 1271 CA PHE A 78 5.255 -5.654 -3.208 1.00 0.00 C ATOM 1272 C PHE A 78 6.172 -4.491 -3.566 1.00 0.00 C ATOM 1273 O PHE A 78 7.388 -4.621 -3.493 1.00 0.00 O ATOM 1274 CB PHE A 78 4.782 -6.405 -4.469 1.00 0.00 C ATOM 1275 CG PHE A 78 4.510 -7.900 -4.334 1.00 0.00 C ATOM 1276 CD1 PHE A 78 5.349 -8.713 -3.538 1.00 0.00 C ATOM 1277 CD2 PHE A 78 3.533 -8.516 -5.137 1.00 0.00 C ATOM 1278 CE1 PHE A 78 5.090 -10.085 -3.402 1.00 0.00 C ATOM 1279 CE2 PHE A 78 3.363 -9.910 -5.091 1.00 0.00 C ATOM 1280 CZ PHE A 78 4.068 -10.682 -4.151 1.00 0.00 C ATOM 0 H PHE A 78 3.232 -5.328 -2.782 1.00 0.00 H new ATOM 0 HA PHE A 78 5.811 -6.385 -2.622 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.869 -5.927 -4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.535 -6.268 -5.245 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.196 -8.275 -3.031 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.914 -7.918 -5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.678 -10.681 -2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.687 -10.391 -5.782 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.824 -11.724 -4.008 1.00 0.00 H new ATOM 1290 N ALA A 79 5.604 -3.336 -3.903 1.00 0.00 N ATOM 1291 CA ALA A 79 6.378 -2.141 -4.181 1.00 0.00 C ATOM 1292 C ALA A 79 7.293 -1.776 -3.016 1.00 0.00 C ATOM 1293 O ALA A 79 8.320 -1.146 -3.242 1.00 0.00 O ATOM 1294 CB ALA A 79 5.468 -0.960 -4.529 1.00 0.00 C ATOM 0 H ALA A 79 4.596 -3.208 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 79 7.005 -2.363 -5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.077 -0.079 -4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.877 -1.204 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.802 -0.755 -3.691 1.00 0.00 H new ATOM 1300 N ASN A 80 6.946 -2.118 -1.777 1.00 0.00 N ATOM 1301 CA ASN A 80 7.827 -1.830 -0.654 1.00 0.00 C ATOM 1302 C ASN A 80 8.807 -2.971 -0.402 1.00 0.00 C ATOM 1303 O ASN A 80 9.996 -2.718 -0.223 1.00 0.00 O ATOM 1304 CB ASN A 80 7.034 -1.470 0.598 1.00 0.00 C ATOM 1305 CG ASN A 80 7.968 -0.781 1.582 1.00 0.00 C ATOM 1306 OD1 ASN A 80 8.355 0.367 1.372 1.00 0.00 O ATOM 1307 ND2 ASN A 80 8.349 -1.461 2.645 1.00 0.00 N ATOM 0 H ASN A 80 6.075 -2.587 -1.530 1.00 0.00 H new ATOM 0 HA ASN A 80 8.421 -0.955 -0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.202 -0.814 0.343 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.607 -2.367 1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.983 -1.036 3.322 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.010 -2.412 2.791 1.00 0.00 H new ATOM 1314 N ARG A 81 8.326 -4.219 -0.438 1.00 0.00 N ATOM 1315 CA ARG A 81 9.165 -5.416 -0.389 1.00 0.00 C ATOM 1316 C ARG A 81 10.340 -5.261 -1.348 1.00 0.00 C ATOM 1317 O ARG A 81 11.485 -5.395 -0.935 1.00 0.00 O ATOM 1318 CB ARG A 81 8.361 -6.663 -0.779 1.00 0.00 C ATOM 1319 CG ARG A 81 7.381 -7.134 0.301 1.00 0.00 C ATOM 1320 CD ARG A 81 8.125 -7.777 1.485 1.00 0.00 C ATOM 1321 NE ARG A 81 7.980 -7.004 2.732 1.00 0.00 N ATOM 1322 CZ ARG A 81 8.908 -6.958 3.703 1.00 0.00 C ATOM 1323 NH1 ARG A 81 9.986 -7.727 3.620 1.00 0.00 N ATOM 1324 NH2 ARG A 81 8.767 -6.134 4.733 1.00 0.00 N ATOM 0 H ARG A 81 7.329 -4.426 -0.503 1.00 0.00 H new ATOM 0 HA ARG A 81 9.529 -5.535 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.806 -6.454 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.054 -7.474 -1.005 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.791 -6.288 0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.682 -7.853 -0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.747 -8.787 1.642 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.183 -7.868 1.239 1.00 0.00 H new ATOM 0 HE ARG A 81 7.121 -6.470 2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.108 -8.350 2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.693 -7.695 4.355 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.949 -5.528 4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.477 -6.106 5.465 1.00 0.00 H new ATOM 1338 N ARG A 82 10.044 -4.917 -2.605 1.00 0.00 N ATOM 1339 CA ARG A 82 11.010 -4.545 -3.629 1.00 0.00 C ATOM 1340 C ARG A 82 12.173 -3.789 -3.024 1.00 0.00 C ATOM 1341 O ARG A 82 13.322 -4.170 -3.201 1.00 0.00 O ATOM 1342 CB ARG A 82 10.359 -3.592 -4.638 1.00 0.00 C ATOM 1343 CG ARG A 82 9.615 -4.328 -5.738 1.00 0.00 C ATOM 1344 CD ARG A 82 10.601 -4.734 -6.842 1.00 0.00 C ATOM 1345 NE ARG A 82 9.894 -5.481 -7.879 1.00 0.00 N ATOM 1346 CZ ARG A 82 10.397 -5.869 -9.057 1.00 0.00 C ATOM 1347 NH1 ARG A 82 11.646 -5.576 -9.408 1.00 0.00 N ATOM 1348 NH2 ARG A 82 9.614 -6.568 -9.865 1.00 0.00 N ATOM 0 H ARG A 82 9.083 -4.891 -2.945 1.00 0.00 H new ATOM 0 HA ARG A 82 11.350 -5.466 -4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.667 -2.932 -4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.127 -2.960 -5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.125 -5.212 -5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.833 -3.691 -6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.067 -3.847 -7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.402 -5.343 -6.423 1.00 0.00 H new ATOM 0 HE ARG A 82 8.924 -5.731 -7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.243 -5.045 -8.774 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.007 -5.883 -10.311 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.661 -6.794 -9.582 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.964 -6.880 -10.771 1.00 0.00 H new ATOM 1362 N LYS A 83 11.863 -2.685 -2.352 1.00 0.00 N ATOM 1363 CA LYS A 83 12.872 -1.755 -1.918 1.00 0.00 C ATOM 1364 C LYS A 83 13.615 -2.329 -0.716 1.00 0.00 C ATOM 1365 O LYS A 83 14.840 -2.276 -0.670 1.00 0.00 O ATOM 1366 CB LYS A 83 12.221 -0.384 -1.681 1.00 0.00 C ATOM 1367 CG LYS A 83 13.240 0.761 -1.669 1.00 0.00 C ATOM 1368 CD LYS A 83 13.722 1.211 -3.060 1.00 0.00 C ATOM 1369 CE LYS A 83 12.730 2.177 -3.740 1.00 0.00 C ATOM 1370 NZ LYS A 83 12.076 1.617 -4.939 1.00 0.00 N ATOM 0 H LYS A 83 10.911 -2.421 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 83 13.633 -1.600 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.481 -0.198 -2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.687 -0.399 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.798 1.617 -1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.105 0.452 -1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.693 1.698 -2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.865 0.335 -3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.963 2.461 -3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.259 3.088 -4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.425 2.322 -5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.798 1.371 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.543 0.763 -4.677 1.00 0.00 H new ATOM 1384 N GLU A 84 12.895 -2.914 0.239 1.00 0.00 N ATOM 1385 CA GLU A 84 13.495 -3.656 1.340 1.00 0.00 C ATOM 1386 C GLU A 84 14.475 -4.718 0.818 1.00 0.00 C ATOM 1387 O GLU A 84 15.540 -4.924 1.393 1.00 0.00 O ATOM 1388 CB GLU A 84 12.370 -4.263 2.195 1.00 0.00 C ATOM 1389 CG GLU A 84 12.590 -4.046 3.698 1.00 0.00 C ATOM 1390 CD GLU A 84 11.336 -4.420 4.455 1.00 0.00 C ATOM 1391 OE1 GLU A 84 10.338 -3.693 4.275 1.00 0.00 O ATOM 1392 OE2 GLU A 84 11.336 -5.470 5.133 1.00 0.00 O ATOM 0 H GLU A 84 11.876 -2.885 0.269 1.00 0.00 H new ATOM 0 HA GLU A 84 14.083 -2.986 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.418 -3.821 1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.300 -5.332 1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.429 -4.650 4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.846 -3.004 3.891 1.00 0.00 H new ATOM 1399 N GLU A 85 14.138 -5.361 -0.296 1.00 0.00 N ATOM 1400 CA GLU A 85 14.951 -6.422 -0.857 1.00 0.00 C ATOM 1401 C GLU A 85 16.172 -5.789 -1.519 1.00 0.00 C ATOM 1402 O GLU A 85 17.319 -6.163 -1.255 1.00 0.00 O ATOM 1403 CB GLU A 85 14.091 -7.267 -1.810 1.00 0.00 C ATOM 1404 CG GLU A 85 14.908 -8.372 -2.485 1.00 0.00 C ATOM 1405 CD GLU A 85 14.046 -9.530 -2.930 1.00 0.00 C ATOM 1406 OE1 GLU A 85 13.038 -9.269 -3.619 1.00 0.00 O ATOM 1407 OE2 GLU A 85 14.393 -10.677 -2.576 1.00 0.00 O ATOM 0 H GLU A 85 13.294 -5.158 -0.831 1.00 0.00 H new ATOM 0 HA GLU A 85 15.319 -7.106 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.265 -7.713 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.652 -6.622 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 85 15.431 -7.959 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 85 15.669 -8.733 -1.793 1.00 0.00 H new ATOM 1414 N ALA A 86 15.893 -4.795 -2.358 1.00 0.00 N ATOM 1415 CA ALA A 86 16.853 -4.006 -3.097 1.00 0.00 C ATOM 1416 C ALA A 86 17.858 -3.345 -2.159 1.00 0.00 C ATOM 1417 O ALA A 86 18.982 -3.087 -2.575 1.00 0.00 O ATOM 1418 CB ALA A 86 16.124 -2.962 -3.947 1.00 0.00 C ATOM 0 H ALA A 86 14.932 -4.508 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 86 17.412 -4.667 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.853 -2.371 -4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.457 -3.464 -4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.543 -2.306 -3.299 1.00 0.00 H new ATOM 1424 N PHE A 87 17.480 -3.053 -0.909 1.00 0.00 N ATOM 1425 CA PHE A 87 18.393 -2.538 0.104 1.00 0.00 C ATOM 1426 C PHE A 87 19.643 -3.409 0.182 1.00 0.00 C ATOM 1427 O PHE A 87 20.733 -2.929 -0.120 1.00 0.00 O ATOM 1428 CB PHE A 87 17.707 -2.365 1.471 1.00 0.00 C ATOM 1429 CG PHE A 87 17.530 -0.916 1.886 1.00 0.00 C ATOM 1430 CD1 PHE A 87 16.542 -0.121 1.277 1.00 0.00 C ATOM 1431 CD2 PHE A 87 18.353 -0.360 2.881 1.00 0.00 C ATOM 1432 CE1 PHE A 87 16.369 1.216 1.669 1.00 0.00 C ATOM 1433 CE2 PHE A 87 18.221 0.995 3.226 1.00 0.00 C ATOM 1434 CZ PHE A 87 17.221 1.780 2.630 1.00 0.00 C ATOM 0 H PHE A 87 16.523 -3.170 -0.575 1.00 0.00 H new ATOM 0 HA PHE A 87 18.704 -1.538 -0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 87 16.730 -2.847 1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 87 18.294 -2.882 2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 87 15.914 -0.541 0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 87 19.087 -0.975 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 87 15.580 1.810 1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 87 18.890 1.434 3.951 1.00 0.00 H new ATOM 0 HZ PHE A 87 17.108 2.817 2.911 1.00 0.00 H new ATOM 1444 N ARG A 88 19.494 -4.687 0.522 1.00 0.00 N ATOM 1445 CA ARG A 88 20.639 -5.587 0.572 1.00 0.00 C ATOM 1446 C ARG A 88 21.313 -5.661 -0.803 1.00 0.00 C ATOM 1447 O ARG A 88 22.524 -5.842 -0.897 1.00 0.00 O ATOM 1448 CB ARG A 88 20.194 -6.967 1.072 1.00 0.00 C ATOM 1449 CG ARG A 88 21.366 -7.924 1.345 1.00 0.00 C ATOM 1450 CD ARG A 88 21.728 -8.084 2.827 1.00 0.00 C ATOM 1451 NE ARG A 88 22.235 -6.857 3.473 1.00 0.00 N ATOM 1452 CZ ARG A 88 22.967 -6.858 4.602 1.00 0.00 C ATOM 1453 NH1 ARG A 88 23.262 -8.004 5.225 1.00 0.00 N ATOM 1454 NH2 ARG A 88 23.406 -5.711 5.112 1.00 0.00 N ATOM 0 H ARG A 88 18.602 -5.117 0.764 1.00 0.00 H new ATOM 0 HA ARG A 88 21.378 -5.203 1.275 1.00 0.00 H new ATOM 0 HB2 ARG A 88 19.614 -6.844 1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 88 19.532 -7.417 0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 88 21.120 -8.904 0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 88 22.244 -7.566 0.807 1.00 0.00 H new ATOM 0 HD2 ARG A 88 20.845 -8.425 3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 88 22.482 -8.866 2.921 1.00 0.00 H new ATOM 0 HE ARG A 88 22.018 -5.959 3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 88 22.931 -8.891 4.845 1.00 0.00 H new ATOM 0 HH12 ARG A 88 23.818 -7.991 6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 88 23.188 -4.830 4.647 1.00 0.00 H new ATOM 0 HH22 ARG A 88 23.961 -5.713 5.968 1.00 0.00 H new ATOM 1468 N HIS A 89 20.546 -5.526 -1.885 1.00 0.00 N ATOM 1469 CA HIS A 89 21.102 -5.576 -3.228 1.00 0.00 C ATOM 1470 C HIS A 89 22.111 -4.440 -3.434 1.00 0.00 C ATOM 1471 O HIS A 89 23.204 -4.671 -3.949 1.00 0.00 O ATOM 1472 CB HIS A 89 19.974 -5.588 -4.266 1.00 0.00 C ATOM 1473 CG HIS A 89 20.337 -6.312 -5.534 1.00 0.00 C ATOM 1474 ND1 HIS A 89 20.675 -7.643 -5.620 1.00 0.00 N ATOM 1475 CD2 HIS A 89 20.221 -5.828 -6.809 1.00 0.00 C ATOM 1476 CE1 HIS A 89 20.753 -7.954 -6.924 1.00 0.00 C ATOM 1477 NE2 HIS A 89 20.482 -6.883 -7.690 1.00 0.00 N ATOM 0 H HIS A 89 19.537 -5.381 -1.852 1.00 0.00 H new ATOM 0 HA HIS A 89 21.658 -6.504 -3.363 1.00 0.00 H new ATOM 0 HB2 HIS A 89 19.092 -6.057 -3.828 1.00 0.00 H new ATOM 0 HB3 HIS A 89 19.702 -4.561 -4.508 1.00 0.00 H new ATOM 0 HD2 HIS A 89 19.973 -4.814 -7.085 1.00 0.00 H new ATOM 0 HE1 HIS A 89 21.000 -8.933 -7.306 1.00 0.00 H new ATOM 0 HE2 HIS A 89 20.469 -6.847 -8.709 1.00 0.00 H new ATOM 1485 N LYS A 90 21.765 -3.223 -3.001 1.00 0.00 N ATOM 1486 CA LYS A 90 22.664 -2.080 -3.124 1.00 0.00 C ATOM 1487 C LYS A 90 23.759 -2.118 -2.058 1.00 0.00 C ATOM 1488 O LYS A 90 24.938 -2.044 -2.399 1.00 0.00 O ATOM 1489 CB LYS A 90 21.930 -0.725 -3.204 1.00 0.00 C ATOM 1490 CG LYS A 90 20.956 -0.379 -2.073 1.00 0.00 C ATOM 1491 CD LYS A 90 20.149 0.891 -2.392 1.00 0.00 C ATOM 1492 CE LYS A 90 18.917 1.083 -1.488 1.00 0.00 C ATOM 1493 NZ LYS A 90 19.242 1.203 -0.049 1.00 0.00 N ATOM 0 H LYS A 90 20.869 -3.008 -2.563 1.00 0.00 H new ATOM 0 HA LYS A 90 23.161 -2.173 -4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.682 0.062 -3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 90 21.378 -0.697 -4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 90 20.274 -1.214 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 90 21.510 -0.236 -1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 90 20.800 1.759 -2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.824 0.853 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 90 18.382 1.978 -1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 90 18.240 0.240 -1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.720 0.480 0.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 20.264 1.065 0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 18.971 2.148 0.290 1.00 0.00 H new ATOM 1507 N LEU A 91 23.391 -2.172 -0.776 1.00 0.00 N ATOM 1508 CA LEU A 91 24.345 -2.038 0.298 1.00 0.00 C ATOM 1509 C LEU A 91 25.235 -3.276 0.398 1.00 0.00 C ATOM 1510 O LEU A 91 26.391 -3.247 -0.011 1.00 0.00 O ATOM 1511 CB LEU A 91 23.689 -1.720 1.653 1.00 0.00 C ATOM 1512 CG LEU A 91 22.988 -0.359 1.840 1.00 0.00 C ATOM 1513 CD1 LEU A 91 23.517 0.738 0.922 1.00 0.00 C ATOM 1514 CD2 LEU A 91 21.470 -0.477 1.798 1.00 0.00 C ATOM 0 H LEU A 91 22.429 -2.309 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 91 24.968 -1.179 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 91 22.954 -2.500 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 91 24.459 -1.802 2.420 1.00 0.00 H new ATOM 0 HG LEU A 91 23.250 -0.036 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 91 22.975 1.664 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 91 24.579 0.893 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 91 23.376 0.442 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 91 21.025 0.508 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 91 21.163 -0.884 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 91 21.134 -1.140 2.595 1.00 0.00 H new ATOM 1526 N ALA A 92 24.723 -4.346 1.007 1.00 0.00 N ATOM 1527 CA ALA A 92 25.481 -5.549 1.338 1.00 0.00 C ATOM 1528 C ALA A 92 26.767 -5.249 2.123 1.00 0.00 C ATOM 1529 O ALA A 92 27.713 -6.034 2.085 1.00 0.00 O ATOM 1530 CB ALA A 92 25.769 -6.367 0.074 1.00 0.00 C ATOM 0 H ALA A 92 23.745 -4.400 1.290 1.00 0.00 H new ATOM 0 HA ALA A 92 24.858 -6.147 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 92 26.335 -7.260 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 92 24.828 -6.659 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 92 26.349 -5.765 -0.625 1.00 0.00 H new ATOM 1536 N MET A 93 26.829 -4.138 2.856 1.00 0.00 N ATOM 1537 CA MET A 93 27.954 -3.835 3.738 1.00 0.00 C ATOM 1538 C MET A 93 27.569 -2.813 4.802 1.00 0.00 C ATOM 1539 O MET A 93 28.427 -2.237 5.467 1.00 0.00 O ATOM 1540 CB MET A 93 29.170 -3.352 2.926 1.00 0.00 C ATOM 1541 CG MET A 93 28.917 -2.061 2.134 1.00 0.00 C ATOM 1542 SD MET A 93 30.393 -1.285 1.430 1.00 0.00 S ATOM 1543 CE MET A 93 31.135 -2.678 0.551 1.00 0.00 C ATOM 0 H MET A 93 26.101 -3.424 2.855 1.00 0.00 H new ATOM 0 HA MET A 93 28.230 -4.756 4.252 1.00 0.00 H new ATOM 0 HB2 MET A 93 30.007 -3.192 3.605 1.00 0.00 H new ATOM 0 HB3 MET A 93 29.468 -4.139 2.233 1.00 0.00 H new ATOM 0 HG2 MET A 93 28.221 -2.281 1.325 1.00 0.00 H new ATOM 0 HG3 MET A 93 28.426 -1.342 2.790 1.00 0.00 H new ATOM 0 HE1 MET A 93 31.951 -2.319 -0.076 1.00 0.00 H new ATOM 0 HE2 MET A 93 31.521 -3.399 1.272 1.00 0.00 H new ATOM 0 HE3 MET A 93 30.381 -3.157 -0.073 1.00 0.00 H new ATOM 1553 N ASP A 94 26.276 -2.575 4.968 1.00 0.00 N ATOM 1554 CA ASP A 94 25.716 -1.507 5.770 1.00 0.00 C ATOM 1555 C ASP A 94 25.544 -1.968 7.205 1.00 0.00 C ATOM 1556 O ASP A 94 24.481 -1.813 7.802 1.00 0.00 O ATOM 1557 CB ASP A 94 24.404 -1.014 5.149 1.00 0.00 C ATOM 1558 CG ASP A 94 23.380 -2.092 4.827 1.00 0.00 C ATOM 1559 OD1 ASP A 94 23.785 -3.194 4.399 1.00 0.00 O ATOM 1560 OD2 ASP A 94 22.174 -1.779 4.881 1.00 0.00 O ATOM 0 H ASP A 94 25.559 -3.150 4.525 1.00 0.00 H new ATOM 0 HA ASP A 94 26.402 -0.660 5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 94 23.947 -0.297 5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 94 24.638 -0.475 4.231 1.00 0.00 H new ATOM 1565 N THR A 95 26.631 -2.488 7.770 1.00 0.00 N ATOM 1566 CA THR A 95 26.717 -2.890 9.158 1.00 0.00 C ATOM 1567 C THR A 95 25.769 -4.068 9.407 1.00 0.00 C ATOM 1568 O THR A 95 26.190 -5.226 9.394 1.00 0.00 O ATOM 1569 CB THR A 95 26.465 -1.666 10.063 1.00 0.00 C ATOM 1570 OG1 THR A 95 27.279 -0.576 9.661 1.00 0.00 O ATOM 1571 CG2 THR A 95 26.756 -1.953 11.535 1.00 0.00 C ATOM 0 H THR A 95 27.497 -2.643 7.254 1.00 0.00 H new ATOM 0 HA THR A 95 27.716 -3.249 9.407 1.00 0.00 H new ATOM 0 HB THR A 95 25.408 -1.423 9.956 1.00 0.00 H new ATOM 0 HG1 THR A 95 27.107 0.193 10.243 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.562 -1.058 12.126 1.00 0.00 H new ATOM 0 HG22 THR A 95 26.114 -2.763 11.882 1.00 0.00 H new ATOM 0 HG23 THR A 95 27.800 -2.244 11.649 1.00 0.00 H new ATOM 1579 N TYR A 96 24.491 -3.785 9.626 1.00 0.00 N ATOM 1580 CA TYR A 96 23.518 -4.753 10.080 1.00 0.00 C ATOM 1581 C TYR A 96 23.066 -5.669 8.953 1.00 0.00 C ATOM 1582 O TYR A 96 23.448 -5.503 7.797 1.00 0.00 O ATOM 1583 CB TYR A 96 22.330 -4.014 10.705 1.00 0.00 C ATOM 1584 CG TYR A 96 22.674 -3.463 12.065 1.00 0.00 C ATOM 1585 CD1 TYR A 96 22.597 -4.309 13.186 1.00 0.00 C ATOM 1586 CD2 TYR A 96 23.285 -2.203 12.174 1.00 0.00 C ATOM 1587 CE1 TYR A 96 23.130 -3.892 14.413 1.00 0.00 C ATOM 1588 CE2 TYR A 96 23.876 -1.816 13.386 1.00 0.00 C ATOM 1589 CZ TYR A 96 23.820 -2.675 14.494 1.00 0.00 C ATOM 1590 OH TYR A 96 24.479 -2.363 15.639 1.00 0.00 O ATOM 0 H TYR A 96 24.100 -2.853 9.488 1.00 0.00 H new ATOM 0 HA TYR A 96 23.982 -5.392 10.832 1.00 0.00 H new ATOM 0 HB2 TYR A 96 22.021 -3.200 10.049 1.00 0.00 H new ATOM 0 HB3 TYR A 96 21.482 -4.694 10.791 1.00 0.00 H new ATOM 0 HD1 TYR A 96 22.128 -5.278 13.101 1.00 0.00 H new ATOM 0 HD2 TYR A 96 23.300 -1.534 11.327 1.00 0.00 H new ATOM 0 HE1 TYR A 96 23.009 -4.506 15.293 1.00 0.00 H new ATOM 0 HE2 TYR A 96 24.372 -0.860 13.466 1.00 0.00 H new ATOM 0 HH TYR A 96 24.909 -1.488 15.541 1.00 0.00 H new ATOM 1600 N LYS A 97 22.209 -6.619 9.317 1.00 0.00 N ATOM 1601 CA LYS A 97 21.405 -7.383 8.388 1.00 0.00 C ATOM 1602 C LYS A 97 20.599 -6.446 7.481 1.00 0.00 C ATOM 1603 O LYS A 97 20.710 -6.548 6.265 1.00 0.00 O ATOM 1604 CB LYS A 97 20.617 -8.458 9.167 1.00 0.00 C ATOM 1605 CG LYS A 97 19.583 -7.968 10.201 1.00 0.00 C ATOM 1606 CD LYS A 97 18.250 -7.486 9.609 1.00 0.00 C ATOM 1607 CE LYS A 97 17.038 -8.365 9.924 1.00 0.00 C ATOM 1608 NZ LYS A 97 16.914 -9.487 8.979 1.00 0.00 N ATOM 0 H LYS A 97 22.056 -6.880 10.291 1.00 0.00 H new ATOM 0 HA LYS A 97 22.016 -7.946 7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 97 20.098 -9.086 8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 97 21.335 -9.094 9.684 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.380 -8.778 10.901 1.00 0.00 H new ATOM 0 HG3 LYS A 97 20.024 -7.153 10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.052 -6.479 9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.356 -7.417 8.526 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.125 -8.753 10.939 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.132 -7.760 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.051 -9.369 8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.742 -9.504 8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.862 -10.381 9.507 1.00 0.00 H new ATOM 1622 N LEU A 98 19.814 -5.537 8.069 1.00 0.00 N ATOM 1623 CA LEU A 98 18.933 -4.596 7.387 1.00 0.00 C ATOM 1624 C LEU A 98 18.348 -5.191 6.104 1.00 0.00 C ATOM 1625 O LEU A 98 18.673 -4.769 4.992 1.00 0.00 O ATOM 1626 CB LEU A 98 19.581 -3.218 7.201 1.00 0.00 C ATOM 1627 CG LEU A 98 18.545 -2.162 6.761 1.00 0.00 C ATOM 1628 CD1 LEU A 98 17.453 -1.914 7.810 1.00 0.00 C ATOM 1629 CD2 LEU A 98 19.257 -0.842 6.478 1.00 0.00 C ATOM 0 H LEU A 98 19.777 -5.436 9.083 1.00 0.00 H new ATOM 0 HA LEU A 98 18.079 -4.416 8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.047 -2.905 8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 98 20.373 -3.285 6.456 1.00 0.00 H new ATOM 0 HG LEU A 98 18.059 -2.553 5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.757 -1.162 7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 98 16.915 -2.843 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.910 -1.561 8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 98 18.527 -0.094 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 98 19.764 -0.501 7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 98 19.989 -0.987 5.684 1.00 0.00 H new ATOM 1641 N ASN A 99 17.508 -6.202 6.292 1.00 0.00 N ATOM 1642 CA ASN A 99 16.856 -6.997 5.274 1.00 0.00 C ATOM 1643 C ASN A 99 15.687 -7.670 5.981 1.00 0.00 C ATOM 1644 O ASN A 99 15.867 -7.887 7.201 1.00 0.00 O ATOM 1645 CB ASN A 99 17.808 -8.054 4.689 1.00 0.00 C ATOM 1646 CG ASN A 99 17.871 -9.325 5.542 1.00 0.00 C ATOM 1647 OD1 ASN A 99 18.354 -9.317 6.671 1.00 0.00 O ATOM 1648 ND2 ASN A 99 17.372 -10.446 5.030 1.00 0.00 N ATOM 1649 OXT ASN A 99 14.951 -8.379 5.267 1.00 0.00 O ATOM 0 H ASN A 99 17.250 -6.505 7.231 1.00 0.00 H new ATOM 0 HA ASN A 99 16.534 -6.380 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 99 17.483 -8.313 3.681 1.00 0.00 H new ATOM 0 HB3 ASN A 99 18.808 -7.629 4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 99 17.389 -11.308 5.576 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.973 -10.444 4.091 1.00 0.00 H new TER 1656 ASN A 99