USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=20 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 57 SER OG : rot -110:sc= 0.292 USER MOD Set 1.2: A 60 GLN : amide:sc= -0.5 K(o=-0.21,f=0.38) USER MOD Set 2.1: A 47 ASN : amide:sc= -0.796 X(o=-0.55,f=-0.11) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.25 X(o=-0.55,f=-0.11) USER MOD Set 3.1: A 20 SER OG : rot -28:sc= 0.711 USER MOD Set 3.2: A 46 CYS SG : rot 180:sc= 0.603 USER MOD Single : A 0 MET CE :methyl 158:sc= -0.237 (180deg=-0.38) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 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= -0.0113 X(o=-0.011,f=-0.011) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.0852 X(o=0.085,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.33) USER MOD Single : A 26 GLN : amide:sc= 1.95 K(o=2,f=-9.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.795 K(o=-0.8,f=-0.13) USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= 0.778 (180deg=-0.22!) USER MOD Single : A 33 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.16) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0234 USER MOD Single : A 36 LYS NZ :NH3+ -144:sc= 1.47 (180deg=0.301!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 75:sc= -0.0184 USER MOD Single : A 53 GLN : amide:sc= 0.0355 K(o=0.036,f=-1.7) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0927 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.637 K(o=0.64,f=-2.7!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.81 X(o=-1.8,f=-2.3!) USER MOD Single : A 80 ASN : amide:sc= -0.065 K(o=-0.065,f=-0.66) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= -0.278 K(o=-0.28,f=-3.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 175:sc= 0 (180deg=-0.0273) USER MOD Single : A 95 THR OG1 : rot 96:sc= 0.993 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= -0.204 (180deg=-0.65) USER MOD Single : A 99 ASN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 15.030 17.669 -2.995 1.00 0.00 N ATOM 2 CA MET A 0 14.374 16.376 -3.205 1.00 0.00 C ATOM 3 C MET A 0 13.037 16.341 -2.456 1.00 0.00 C ATOM 4 O MET A 0 11.982 16.481 -3.077 1.00 0.00 O ATOM 5 CB MET A 0 15.324 15.227 -2.822 1.00 0.00 C ATOM 6 CG MET A 0 14.900 13.866 -3.373 1.00 0.00 C ATOM 7 SD MET A 0 14.506 13.815 -5.135 1.00 0.00 S ATOM 8 CE MET A 0 14.364 12.035 -5.335 1.00 0.00 C ATOM 0 H1 MET A 0 15.936 17.686 -3.506 1.00 0.00 H new ATOM 0 H2 MET A 0 14.418 18.431 -3.351 1.00 0.00 H new ATOM 0 H3 MET A 0 15.203 17.810 -1.979 1.00 0.00 H new ATOM 0 HA MET A 0 14.143 16.240 -4.261 1.00 0.00 H new ATOM 0 HB2 MET A 0 16.325 15.460 -3.185 1.00 0.00 H new ATOM 0 HB3 MET A 0 15.385 15.166 -1.735 1.00 0.00 H new ATOM 0 HG2 MET A 0 15.700 13.152 -3.179 1.00 0.00 H new ATOM 0 HG3 MET A 0 14.027 13.526 -2.815 1.00 0.00 H new ATOM 0 HE1 MET A 0 13.761 11.815 -6.216 1.00 0.00 H new ATOM 0 HE2 MET A 0 15.357 11.602 -5.457 1.00 0.00 H new ATOM 0 HE3 MET A 0 13.887 11.607 -4.453 1.00 0.00 H new ATOM 20 N ALA A 1 13.078 16.205 -1.129 1.00 0.00 N ATOM 21 CA ALA A 1 11.933 16.306 -0.230 1.00 0.00 C ATOM 22 C ALA A 1 10.689 15.571 -0.751 1.00 0.00 C ATOM 23 O ALA A 1 9.622 16.169 -0.901 1.00 0.00 O ATOM 24 CB ALA A 1 11.650 17.787 0.050 1.00 0.00 C ATOM 0 H ALA A 1 13.949 16.013 -0.633 1.00 0.00 H new ATOM 0 HA ALA A 1 12.186 15.802 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.796 17.874 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 1 12.524 18.243 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.429 18.299 -0.887 1.00 0.00 H new ATOM 30 N ARG A 2 10.794 14.276 -1.031 1.00 0.00 N ATOM 31 CA ARG A 2 9.677 13.476 -1.526 1.00 0.00 C ATOM 32 C ARG A 2 8.594 13.316 -0.454 1.00 0.00 C ATOM 33 O ARG A 2 8.606 12.359 0.315 1.00 0.00 O ATOM 34 CB ARG A 2 10.192 12.122 -2.041 1.00 0.00 C ATOM 35 CG ARG A 2 10.432 12.072 -3.558 1.00 0.00 C ATOM 36 CD ARG A 2 11.149 13.284 -4.175 1.00 0.00 C ATOM 37 NE ARG A 2 10.232 14.362 -4.574 1.00 0.00 N ATOM 38 CZ ARG A 2 9.368 14.306 -5.598 1.00 0.00 C ATOM 39 NH1 ARG A 2 9.314 13.224 -6.376 1.00 0.00 N ATOM 40 NH2 ARG A 2 8.553 15.335 -5.797 1.00 0.00 N ATOM 0 H ARG A 2 11.660 13.749 -0.921 1.00 0.00 H new ATOM 0 HA ARG A 2 9.210 13.996 -2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 2 11.124 11.883 -1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.473 11.347 -1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 2 11.015 11.179 -3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.468 11.956 -4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.869 13.676 -3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.715 12.957 -5.047 1.00 0.00 H new ATOM 0 HE ARG A 2 10.255 15.223 -4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.932 12.433 -6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.655 13.187 -7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.593 16.144 -5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.887 15.316 -6.569 1.00 0.00 H new ATOM 54 N ILE A 3 7.642 14.251 -0.419 1.00 0.00 N ATOM 55 CA ILE A 3 6.435 14.119 0.385 1.00 0.00 C ATOM 56 C ILE A 3 5.543 12.981 -0.123 1.00 0.00 C ATOM 57 O ILE A 3 5.013 12.227 0.694 1.00 0.00 O ATOM 58 CB ILE A 3 5.671 15.452 0.512 1.00 0.00 C ATOM 59 CG1 ILE A 3 4.922 15.942 -0.742 1.00 0.00 C ATOM 60 CG2 ILE A 3 6.552 16.561 1.101 1.00 0.00 C ATOM 61 CD1 ILE A 3 5.800 16.361 -1.923 1.00 0.00 C ATOM 0 H ILE A 3 7.691 15.121 -0.950 1.00 0.00 H new ATOM 0 HA ILE A 3 6.748 13.851 1.394 1.00 0.00 H new ATOM 0 HB ILE A 3 4.872 15.211 1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.253 15.149 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.297 16.789 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.976 17.483 1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.892 16.267 2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.415 16.722 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.168 16.687 -2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.452 17.180 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.407 15.514 -2.244 1.00 0.00 H new ATOM 73 N ASP A 4 5.396 12.889 -1.454 1.00 0.00 N ATOM 74 CA ASP A 4 4.447 12.048 -2.193 1.00 0.00 C ATOM 75 C ASP A 4 3.000 12.421 -1.830 1.00 0.00 C ATOM 76 O ASP A 4 2.656 12.319 -0.658 1.00 0.00 O ATOM 77 CB ASP A 4 4.719 10.553 -1.944 1.00 0.00 C ATOM 78 CG ASP A 4 3.843 9.636 -2.780 1.00 0.00 C ATOM 79 OD1 ASP A 4 2.791 10.079 -3.278 1.00 0.00 O ATOM 80 OD2 ASP A 4 4.263 8.471 -2.945 1.00 0.00 O ATOM 0 H ASP A 4 5.979 13.440 -2.084 1.00 0.00 H new ATOM 0 HA ASP A 4 4.586 12.232 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.766 10.340 -2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.560 10.333 -0.888 1.00 0.00 H new ATOM 85 N PRO A 5 2.131 12.858 -2.760 1.00 0.00 N ATOM 86 CA PRO A 5 0.717 13.073 -2.468 1.00 0.00 C ATOM 87 C PRO A 5 -0.019 11.726 -2.324 1.00 0.00 C ATOM 88 O PRO A 5 -0.931 11.418 -3.099 1.00 0.00 O ATOM 89 CB PRO A 5 0.204 13.924 -3.636 1.00 0.00 C ATOM 90 CG PRO A 5 1.072 13.460 -4.806 1.00 0.00 C ATOM 91 CD PRO A 5 2.425 13.172 -4.149 1.00 0.00 C ATOM 0 HA PRO A 5 0.546 13.582 -1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.855 13.752 -3.826 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.324 14.990 -3.442 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.660 12.572 -5.285 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.154 14.228 -5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.929 12.340 -4.640 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.087 14.034 -4.223 1.00 0.00 H new ATOM 99 N THR A 6 0.377 10.941 -1.318 1.00 0.00 N ATOM 100 CA THR A 6 -0.086 9.604 -0.972 1.00 0.00 C ATOM 101 C THR A 6 -0.442 8.750 -2.196 1.00 0.00 C ATOM 102 O THR A 6 -1.473 8.071 -2.188 1.00 0.00 O ATOM 103 CB THR A 6 -1.251 9.714 0.031 1.00 0.00 C ATOM 104 OG1 THR A 6 -2.307 10.504 -0.486 1.00 0.00 O ATOM 105 CG2 THR A 6 -0.821 10.357 1.350 1.00 0.00 C ATOM 0 H THR A 6 1.096 11.260 -0.669 1.00 0.00 H new ATOM 0 HA THR A 6 0.739 9.071 -0.499 1.00 0.00 H new ATOM 0 HB THR A 6 -1.580 8.689 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.031 10.554 0.172 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.676 10.412 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.036 9.756 1.809 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.444 11.362 1.159 1.00 0.00 H new ATOM 113 N LYS A 7 0.339 8.816 -3.278 1.00 0.00 N ATOM 114 CA LYS A 7 -0.123 8.283 -4.547 1.00 0.00 C ATOM 115 C LYS A 7 -0.210 6.764 -4.467 1.00 0.00 C ATOM 116 O LYS A 7 -1.279 6.172 -4.621 1.00 0.00 O ATOM 117 CB LYS A 7 0.700 8.825 -5.733 1.00 0.00 C ATOM 118 CG LYS A 7 2.100 8.240 -5.990 1.00 0.00 C ATOM 119 CD LYS A 7 2.664 8.763 -7.319 1.00 0.00 C ATOM 120 CE LYS A 7 3.231 10.188 -7.218 1.00 0.00 C ATOM 121 NZ LYS A 7 4.709 10.198 -7.234 1.00 0.00 N ATOM 0 H LYS A 7 1.273 9.225 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.134 8.637 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.110 8.680 -6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.812 9.900 -5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.769 8.509 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.047 7.152 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.450 8.090 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.877 8.745 -8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.855 10.787 -8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.875 10.656 -6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.050 11.178 -7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.069 9.648 -6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.049 9.775 -8.121 1.00 0.00 H new ATOM 135 N LYS A 8 0.921 6.133 -4.173 1.00 0.00 N ATOM 136 CA LYS A 8 1.055 4.690 -4.200 1.00 0.00 C ATOM 137 C LYS A 8 0.652 4.118 -2.846 1.00 0.00 C ATOM 138 O LYS A 8 1.413 3.389 -2.212 1.00 0.00 O ATOM 139 CB LYS A 8 2.453 4.292 -4.697 1.00 0.00 C ATOM 140 CG LYS A 8 3.645 4.893 -3.933 1.00 0.00 C ATOM 141 CD LYS A 8 4.894 4.699 -4.803 1.00 0.00 C ATOM 142 CE LYS A 8 6.193 5.126 -4.108 1.00 0.00 C ATOM 143 NZ LYS A 8 6.756 4.048 -3.275 1.00 0.00 N ATOM 0 H LYS A 8 1.778 6.619 -3.907 1.00 0.00 H new ATOM 0 HA LYS A 8 0.371 4.243 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.534 3.206 -4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.538 4.580 -5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.478 5.951 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.769 4.401 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.971 3.649 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.779 5.271 -5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.925 5.423 -4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.001 6.001 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.633 4.379 -2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.069 3.781 -2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.964 3.222 -3.871 1.00 0.00 H new ATOM 157 N GLY A 9 -0.571 4.433 -2.419 1.00 0.00 N ATOM 158 CA GLY A 9 -1.149 3.924 -1.191 1.00 0.00 C ATOM 159 C GLY A 9 -1.835 5.032 -0.417 1.00 0.00 C ATOM 160 O GLY A 9 -1.321 5.478 0.611 1.00 0.00 O ATOM 0 H GLY A 9 -1.192 5.060 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.867 3.137 -1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.369 3.474 -0.576 1.00 0.00 H new ATOM 164 N ARG A 10 -3.004 5.449 -0.906 1.00 0.00 N ATOM 165 CA ARG A 10 -3.877 6.367 -0.188 1.00 0.00 C ATOM 166 C ARG A 10 -4.556 5.651 0.983 1.00 0.00 C ATOM 167 O ARG A 10 -4.799 6.246 2.029 1.00 0.00 O ATOM 168 CB ARG A 10 -4.898 7.010 -1.143 1.00 0.00 C ATOM 169 CG ARG A 10 -5.724 6.004 -1.962 1.00 0.00 C ATOM 170 CD ARG A 10 -5.309 5.938 -3.434 1.00 0.00 C ATOM 171 NE ARG A 10 -5.799 7.092 -4.201 1.00 0.00 N ATOM 172 CZ ARG A 10 -5.892 7.105 -5.539 1.00 0.00 C ATOM 173 NH1 ARG A 10 -5.384 6.099 -6.254 1.00 0.00 N ATOM 174 NH2 ARG A 10 -6.510 8.125 -6.128 1.00 0.00 N ATOM 0 H ARG A 10 -3.369 5.157 -1.813 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.274 7.175 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.579 7.632 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.369 7.671 -1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.622 5.014 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.778 6.274 -1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.222 5.894 -3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.693 5.019 -3.877 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.083 7.927 -3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.925 5.320 -5.783 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.455 6.110 -7.271 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.902 8.878 -5.563 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.591 8.154 -7.144 1.00 0.00 H new ATOM 188 N ARG A 11 -4.918 4.378 0.804 1.00 0.00 N ATOM 189 CA ARG A 11 -5.599 3.618 1.822 1.00 0.00 C ATOM 190 C ARG A 11 -4.649 3.325 2.976 1.00 0.00 C ATOM 191 O ARG A 11 -3.439 3.253 2.780 1.00 0.00 O ATOM 192 CB ARG A 11 -6.224 2.344 1.241 1.00 0.00 C ATOM 193 CG ARG A 11 -7.679 2.171 1.698 1.00 0.00 C ATOM 194 CD ARG A 11 -8.699 2.866 0.775 1.00 0.00 C ATOM 195 NE ARG A 11 -8.354 4.239 0.347 1.00 0.00 N ATOM 196 CZ ARG A 11 -8.647 5.362 1.029 1.00 0.00 C ATOM 197 NH1 ARG A 11 -8.907 5.295 2.334 1.00 0.00 N ATOM 198 NH2 ARG A 11 -8.670 6.562 0.453 1.00 0.00 N ATOM 0 H ARG A 11 -4.741 3.857 -0.055 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.424 4.212 2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.186 2.383 0.152 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.639 1.477 1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.912 1.107 1.748 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.784 2.568 2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.832 2.251 -0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.661 2.897 1.287 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.854 4.343 -0.536 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.884 4.395 2.813 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.129 6.144 2.854 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.461 6.655 -0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.897 7.389 1.006 1.00 0.00 H new ATOM 212 N ASN A 12 -5.191 3.157 4.178 1.00 0.00 N ATOM 213 CA ASN A 12 -4.380 3.171 5.397 1.00 0.00 C ATOM 214 C ASN A 12 -5.066 2.557 6.620 1.00 0.00 C ATOM 215 O ASN A 12 -4.398 2.027 7.505 1.00 0.00 O ATOM 216 CB ASN A 12 -3.932 4.607 5.680 1.00 0.00 C ATOM 217 CG ASN A 12 -3.079 4.664 6.937 1.00 0.00 C ATOM 218 OD1 ASN A 12 -2.043 4.010 7.017 1.00 0.00 O ATOM 219 ND2 ASN A 12 -3.528 5.418 7.927 1.00 0.00 N ATOM 0 H ASN A 12 -6.188 3.009 4.337 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.518 2.530 5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.365 4.991 4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.805 5.250 5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.008 5.473 8.803 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.395 5.944 7.815 1.00 0.00 H new ATOM 226 N ARG A 13 -6.398 2.602 6.696 1.00 0.00 N ATOM 227 CA ARG A 13 -7.108 1.956 7.797 1.00 0.00 C ATOM 228 C ARG A 13 -6.895 0.440 7.761 1.00 0.00 C ATOM 229 O ARG A 13 -6.686 -0.215 8.781 1.00 0.00 O ATOM 230 CB ARG A 13 -8.591 2.345 7.782 1.00 0.00 C ATOM 231 CG ARG A 13 -9.430 1.959 6.548 1.00 0.00 C ATOM 232 CD ARG A 13 -10.238 0.668 6.783 1.00 0.00 C ATOM 233 NE ARG A 13 -11.304 0.471 5.782 1.00 0.00 N ATOM 234 CZ ARG A 13 -12.510 1.064 5.820 1.00 0.00 C ATOM 235 NH1 ARG A 13 -12.735 2.050 6.695 1.00 0.00 N ATOM 236 NH2 ARG A 13 -13.474 0.667 4.989 1.00 0.00 N ATOM 0 H ARG A 13 -6.998 3.072 6.018 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.697 2.309 8.743 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.062 1.899 8.658 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.653 3.427 7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.111 2.774 6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.772 1.824 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.562 -0.187 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.681 0.698 7.778 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.112 -0.161 5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.994 2.348 7.329 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.648 2.504 6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.296 -0.086 4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.389 1.117 5.018 1.00 0.00 H new ATOM 250 N PHE A 14 -6.972 -0.098 6.549 1.00 0.00 N ATOM 251 CA PHE A 14 -6.652 -1.475 6.211 1.00 0.00 C ATOM 252 C PHE A 14 -5.161 -1.705 6.469 1.00 0.00 C ATOM 253 O PHE A 14 -4.318 -1.161 5.755 1.00 0.00 O ATOM 254 CB PHE A 14 -7.044 -1.693 4.739 1.00 0.00 C ATOM 255 CG PHE A 14 -6.493 -2.890 3.988 1.00 0.00 C ATOM 256 CD1 PHE A 14 -5.968 -4.026 4.633 1.00 0.00 C ATOM 257 CD2 PHE A 14 -6.552 -2.871 2.588 1.00 0.00 C ATOM 258 CE1 PHE A 14 -5.245 -4.981 3.893 1.00 0.00 C ATOM 259 CE2 PHE A 14 -5.947 -3.897 1.855 1.00 0.00 C ATOM 260 CZ PHE A 14 -5.147 -4.848 2.499 1.00 0.00 C ATOM 0 H PHE A 14 -7.274 0.442 5.738 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.200 -2.194 6.820 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.131 -1.753 4.696 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.752 -0.799 4.188 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.120 -4.165 5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.062 -2.068 2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.769 -5.811 4.395 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.098 -3.956 0.787 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.467 -5.468 1.934 1.00 0.00 H new ATOM 270 N LYS A 15 -4.851 -2.535 7.462 1.00 0.00 N ATOM 271 CA LYS A 15 -3.541 -3.141 7.652 1.00 0.00 C ATOM 272 C LYS A 15 -3.642 -4.602 7.215 1.00 0.00 C ATOM 273 O LYS A 15 -4.721 -5.184 7.299 1.00 0.00 O ATOM 274 CB LYS A 15 -3.122 -3.018 9.125 1.00 0.00 C ATOM 275 CG LYS A 15 -4.027 -3.809 10.090 1.00 0.00 C ATOM 276 CD LYS A 15 -4.684 -2.897 11.131 1.00 0.00 C ATOM 277 CE LYS A 15 -5.499 -3.716 12.142 1.00 0.00 C ATOM 278 NZ LYS A 15 -4.672 -4.249 13.244 1.00 0.00 N ATOM 0 H LYS A 15 -5.526 -2.811 8.176 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.780 -2.636 7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.095 -3.368 9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.132 -1.966 9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.799 -4.327 9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.438 -4.573 10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.918 -2.325 11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.334 -2.178 10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.290 -3.091 12.557 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.985 -4.543 11.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.272 -4.793 13.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.933 -4.869 12.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.228 -3.461 13.757 1.00 0.00 H new ATOM 292 N TRP A 16 -2.551 -5.210 6.764 1.00 0.00 N ATOM 293 CA TRP A 16 -2.562 -6.631 6.460 1.00 0.00 C ATOM 294 C TRP A 16 -2.659 -7.416 7.772 1.00 0.00 C ATOM 295 O TRP A 16 -1.771 -7.312 8.620 1.00 0.00 O ATOM 296 CB TRP A 16 -1.326 -6.980 5.629 1.00 0.00 C ATOM 297 CG TRP A 16 -1.329 -6.372 4.257 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.890 -5.130 3.951 1.00 0.00 C ATOM 299 CD2 TRP A 16 -1.771 -6.961 2.991 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.994 -4.921 2.594 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.513 -6.021 1.952 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.311 -8.206 2.597 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.752 -6.306 0.604 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.563 -8.501 1.243 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.286 -7.551 0.247 1.00 0.00 C ATOM 0 H TRP A 16 -1.658 -4.745 6.603 1.00 0.00 H new ATOM 0 HA TRP A 16 -3.429 -6.904 5.858 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.435 -6.647 6.162 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -1.256 -8.064 5.536 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.514 -4.411 4.664 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -0.720 -4.058 2.124 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.535 -8.947 3.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.527 -5.572 -0.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -2.971 -9.463 0.970 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.484 -7.779 -0.790 1.00 0.00 H new ATOM 316 N GLY A 17 -3.758 -8.150 7.957 1.00 0.00 N ATOM 317 CA GLY A 17 -4.003 -8.973 9.135 1.00 0.00 C ATOM 318 C GLY A 17 -3.065 -10.185 9.178 1.00 0.00 C ATOM 319 O GLY A 17 -2.107 -10.250 8.406 1.00 0.00 O ATOM 0 H GLY A 17 -4.516 -8.187 7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.865 -8.373 10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.039 -9.313 9.134 1.00 0.00 H new ATOM 323 N PRO A 18 -3.304 -11.156 10.067 1.00 0.00 N ATOM 324 CA PRO A 18 -2.396 -12.275 10.254 1.00 0.00 C ATOM 325 C PRO A 18 -2.329 -13.187 9.034 1.00 0.00 C ATOM 326 O PRO A 18 -1.286 -13.326 8.404 1.00 0.00 O ATOM 327 CB PRO A 18 -2.865 -12.983 11.531 1.00 0.00 C ATOM 328 CG PRO A 18 -4.318 -12.538 11.714 1.00 0.00 C ATOM 329 CD PRO A 18 -4.373 -11.161 11.053 1.00 0.00 C ATOM 0 HA PRO A 18 -1.365 -11.938 10.366 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.793 -14.066 11.432 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.254 -12.700 12.388 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.011 -13.235 11.242 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.589 -12.485 12.769 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.341 -10.991 10.582 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.232 -10.368 11.787 1.00 0.00 H new ATOM 337 N ALA A 19 -3.461 -13.780 8.681 1.00 0.00 N ATOM 338 CA ALA A 19 -3.546 -14.712 7.558 1.00 0.00 C ATOM 339 C ALA A 19 -3.000 -14.024 6.311 1.00 0.00 C ATOM 340 O ALA A 19 -2.078 -14.513 5.672 1.00 0.00 O ATOM 341 CB ALA A 19 -4.982 -15.194 7.345 1.00 0.00 C ATOM 0 H ALA A 19 -4.348 -13.631 9.163 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.948 -15.597 7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.013 -15.886 6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.333 -15.701 8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.625 -14.339 7.136 1.00 0.00 H new ATOM 347 N SER A 20 -3.525 -12.832 6.038 1.00 0.00 N ATOM 348 CA SER A 20 -2.979 -11.858 5.105 1.00 0.00 C ATOM 349 C SER A 20 -1.436 -11.856 5.055 1.00 0.00 C ATOM 350 O SER A 20 -0.857 -11.982 3.979 1.00 0.00 O ATOM 351 CB SER A 20 -3.508 -10.491 5.550 1.00 0.00 C ATOM 352 OG SER A 20 -4.743 -10.164 4.953 1.00 0.00 O ATOM 0 H SER A 20 -4.383 -12.507 6.484 1.00 0.00 H new ATOM 0 HA SER A 20 -3.293 -12.111 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.620 -10.485 6.634 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.775 -9.724 5.301 1.00 0.00 H new ATOM 0 HG SER A 20 -4.814 -10.610 4.083 1.00 0.00 H new ATOM 358 N GLN A 21 -0.756 -11.676 6.191 1.00 0.00 N ATOM 359 CA GLN A 21 0.704 -11.683 6.224 1.00 0.00 C ATOM 360 C GLN A 21 1.263 -13.019 5.735 1.00 0.00 C ATOM 361 O GLN A 21 2.272 -13.038 5.027 1.00 0.00 O ATOM 362 CB GLN A 21 1.224 -11.360 7.631 1.00 0.00 C ATOM 363 CG GLN A 21 1.079 -9.872 7.943 1.00 0.00 C ATOM 364 CD GLN A 21 1.206 -9.607 9.433 1.00 0.00 C ATOM 365 OE1 GLN A 21 2.304 -9.548 9.987 1.00 0.00 O ATOM 366 NE2 GLN A 21 0.079 -9.448 10.107 1.00 0.00 N ATOM 0 H GLN A 21 -1.196 -11.524 7.099 1.00 0.00 H new ATOM 0 HA GLN A 21 1.053 -10.905 5.545 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.674 -11.945 8.368 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.271 -11.651 7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.842 -9.309 7.405 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.111 -9.516 7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.817 -9.502 9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.106 -9.271 11.111 1.00 0.00 H new ATOM 375 N GLN A 22 0.646 -14.137 6.117 1.00 0.00 N ATOM 376 CA GLN A 22 1.060 -15.431 5.593 1.00 0.00 C ATOM 377 C GLN A 22 0.915 -15.437 4.070 1.00 0.00 C ATOM 378 O GLN A 22 1.868 -15.790 3.377 1.00 0.00 O ATOM 379 CB GLN A 22 0.308 -16.592 6.266 1.00 0.00 C ATOM 380 CG GLN A 22 0.831 -17.964 5.809 1.00 0.00 C ATOM 381 CD GLN A 22 2.328 -18.111 6.059 1.00 0.00 C ATOM 382 OE1 GLN A 22 3.129 -18.079 5.130 1.00 0.00 O ATOM 383 NE2 GLN A 22 2.723 -18.219 7.317 1.00 0.00 N ATOM 0 H GLN A 22 -0.130 -14.170 6.778 1.00 0.00 H new ATOM 0 HA GLN A 22 2.112 -15.588 5.833 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.408 -16.509 7.348 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.755 -16.515 6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.295 -18.752 6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.625 -18.096 4.747 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.033 -18.243 8.068 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.717 -18.278 7.536 1.00 0.00 H new ATOM 392 N ILE A 23 -0.244 -15.020 3.545 1.00 0.00 N ATOM 393 CA ILE A 23 -0.446 -14.974 2.100 1.00 0.00 C ATOM 394 C ILE A 23 0.691 -14.183 1.463 1.00 0.00 C ATOM 395 O ILE A 23 1.312 -14.630 0.510 1.00 0.00 O ATOM 396 CB ILE A 23 -1.787 -14.368 1.652 1.00 0.00 C ATOM 397 CG1 ILE A 23 -3.019 -14.748 2.473 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.019 -14.776 0.191 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.301 -16.245 2.565 1.00 0.00 C ATOM 0 H ILE A 23 -1.046 -14.714 4.096 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.461 -16.012 1.769 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.686 -13.293 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.899 -14.354 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.890 -14.256 2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.965 -14.361 -0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.206 -14.395 -0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.051 -15.863 0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.194 -16.411 3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.459 -16.648 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.452 -16.747 3.029 1.00 0.00 H new ATOM 411 N LEU A 24 0.984 -12.995 1.985 1.00 0.00 N ATOM 412 CA LEU A 24 2.026 -12.177 1.397 1.00 0.00 C ATOM 413 C LEU A 24 3.372 -12.895 1.375 1.00 0.00 C ATOM 414 O LEU A 24 4.116 -12.777 0.405 1.00 0.00 O ATOM 415 CB LEU A 24 2.115 -10.823 2.110 1.00 0.00 C ATOM 416 CG LEU A 24 0.958 -9.887 1.729 1.00 0.00 C ATOM 417 CD1 LEU A 24 1.220 -8.507 2.336 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.836 -9.780 0.204 1.00 0.00 C ATOM 0 H LEU A 24 0.522 -12.588 2.798 1.00 0.00 H new ATOM 0 HA LEU A 24 1.757 -11.993 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.111 -10.982 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.063 -10.345 1.861 1.00 0.00 H new ATOM 0 HG LEU A 24 0.022 -10.289 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.405 -7.833 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.284 -8.593 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.158 -8.111 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.012 -9.113 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.764 -9.383 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.646 -10.768 -0.216 1.00 0.00 H new ATOM 430 N PHE A 25 3.704 -13.638 2.427 1.00 0.00 N ATOM 431 CA PHE A 25 4.955 -14.375 2.440 1.00 0.00 C ATOM 432 C PHE A 25 4.928 -15.458 1.364 1.00 0.00 C ATOM 433 O PHE A 25 5.828 -15.494 0.527 1.00 0.00 O ATOM 434 CB PHE A 25 5.261 -14.932 3.832 1.00 0.00 C ATOM 435 CG PHE A 25 5.858 -13.929 4.812 1.00 0.00 C ATOM 436 CD1 PHE A 25 5.468 -12.572 4.821 1.00 0.00 C ATOM 437 CD2 PHE A 25 6.820 -14.377 5.736 1.00 0.00 C ATOM 438 CE1 PHE A 25 6.032 -11.680 5.747 1.00 0.00 C ATOM 439 CE2 PHE A 25 7.399 -13.478 6.646 1.00 0.00 C ATOM 440 CZ PHE A 25 6.998 -12.132 6.659 1.00 0.00 C ATOM 0 H PHE A 25 3.133 -13.743 3.266 1.00 0.00 H new ATOM 0 HA PHE A 25 5.773 -13.694 2.204 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.340 -15.329 4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.951 -15.770 3.728 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.733 -12.219 4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.114 -15.416 5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.722 -10.645 5.757 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.154 -13.822 7.337 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.433 -11.445 7.370 1.00 0.00 H new ATOM 450 N GLN A 26 3.902 -16.314 1.346 1.00 0.00 N ATOM 451 CA GLN A 26 3.840 -17.350 0.321 1.00 0.00 C ATOM 452 C GLN A 26 3.828 -16.735 -1.089 1.00 0.00 C ATOM 453 O GLN A 26 4.390 -17.296 -2.019 1.00 0.00 O ATOM 454 CB GLN A 26 2.747 -18.397 0.582 1.00 0.00 C ATOM 455 CG GLN A 26 1.335 -17.843 0.472 1.00 0.00 C ATOM 456 CD GLN A 26 0.423 -18.716 -0.377 1.00 0.00 C ATOM 457 OE1 GLN A 26 0.757 -19.016 -1.522 1.00 0.00 O ATOM 458 NE2 GLN A 26 -0.737 -19.101 0.129 1.00 0.00 N ATOM 0 H GLN A 26 3.127 -16.310 2.009 1.00 0.00 H new ATOM 0 HA GLN A 26 4.760 -17.932 0.381 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.863 -19.216 -0.128 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.887 -18.816 1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.909 -17.745 1.471 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.375 -16.842 0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.990 -18.839 1.082 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.378 -19.660 -0.433 1.00 0.00 H new ATOM 467 N ALA A 27 3.238 -15.552 -1.261 1.00 0.00 N ATOM 468 CA ALA A 27 3.233 -14.848 -2.529 1.00 0.00 C ATOM 469 C ALA A 27 4.663 -14.515 -2.926 1.00 0.00 C ATOM 470 O ALA A 27 5.121 -14.892 -3.999 1.00 0.00 O ATOM 471 CB ALA A 27 2.408 -13.570 -2.387 1.00 0.00 C ATOM 0 H ALA A 27 2.749 -15.058 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 27 2.790 -15.474 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.400 -13.035 -3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.387 -13.826 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.849 -12.936 -1.617 1.00 0.00 H new ATOM 477 N TYR A 28 5.359 -13.805 -2.036 1.00 0.00 N ATOM 478 CA TYR A 28 6.750 -13.409 -2.194 1.00 0.00 C ATOM 479 C TYR A 28 7.613 -14.617 -2.553 1.00 0.00 C ATOM 480 O TYR A 28 8.554 -14.519 -3.343 1.00 0.00 O ATOM 481 CB TYR A 28 7.208 -12.748 -0.884 1.00 0.00 C ATOM 482 CG TYR A 28 8.389 -11.809 -0.994 1.00 0.00 C ATOM 483 CD1 TYR A 28 8.212 -10.529 -1.549 1.00 0.00 C ATOM 484 CD2 TYR A 28 9.640 -12.164 -0.463 1.00 0.00 C ATOM 485 CE1 TYR A 28 9.314 -9.686 -1.747 1.00 0.00 C ATOM 486 CE2 TYR A 28 10.714 -11.259 -0.539 1.00 0.00 C ATOM 487 CZ TYR A 28 10.565 -10.042 -1.226 1.00 0.00 C ATOM 488 OH TYR A 28 11.614 -9.195 -1.385 1.00 0.00 O ATOM 0 H TYR A 28 4.952 -13.482 -1.158 1.00 0.00 H new ATOM 0 HA TYR A 28 6.855 -12.696 -3.012 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.367 -12.195 -0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.459 -13.534 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.223 -10.194 -1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.777 -13.129 0.002 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.199 -8.765 -2.299 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.656 -11.500 -0.068 1.00 0.00 H new ATOM 0 HH TYR A 28 12.412 -9.581 -0.968 1.00 0.00 H new ATOM 498 N GLU A 29 7.305 -15.754 -1.942 1.00 0.00 N ATOM 499 CA GLU A 29 7.963 -17.012 -2.202 1.00 0.00 C ATOM 500 C GLU A 29 7.669 -17.474 -3.631 1.00 0.00 C ATOM 501 O GLU A 29 8.593 -17.699 -4.414 1.00 0.00 O ATOM 502 CB GLU A 29 7.493 -18.005 -1.133 1.00 0.00 C ATOM 503 CG GLU A 29 8.475 -19.143 -0.856 1.00 0.00 C ATOM 504 CD GLU A 29 8.359 -19.504 0.609 1.00 0.00 C ATOM 505 OE1 GLU A 29 9.036 -18.830 1.417 1.00 0.00 O ATOM 506 OE2 GLU A 29 7.471 -20.317 0.935 1.00 0.00 O ATOM 0 H GLU A 29 6.572 -15.820 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 29 9.048 -16.923 -2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.312 -17.463 -0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.539 -18.431 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.247 -20.006 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.493 -18.836 -1.095 1.00 0.00 H new ATOM 513 N ARG A 30 6.390 -17.615 -3.979 1.00 0.00 N ATOM 514 CA ARG A 30 5.984 -18.304 -5.188 1.00 0.00 C ATOM 515 C ARG A 30 6.268 -17.453 -6.435 1.00 0.00 C ATOM 516 O ARG A 30 6.723 -18.006 -7.439 1.00 0.00 O ATOM 517 CB ARG A 30 4.533 -18.816 -5.084 1.00 0.00 C ATOM 518 CG ARG A 30 4.424 -19.916 -4.007 1.00 0.00 C ATOM 519 CD ARG A 30 3.174 -20.805 -4.113 1.00 0.00 C ATOM 520 NE ARG A 30 1.908 -20.114 -3.790 1.00 0.00 N ATOM 521 CZ ARG A 30 0.734 -20.280 -4.429 1.00 0.00 C ATOM 522 NH1 ARG A 30 0.704 -20.702 -5.698 1.00 0.00 N ATOM 523 NH2 ARG A 30 -0.414 -20.061 -3.783 1.00 0.00 N ATOM 0 H ARG A 30 5.613 -17.253 -3.427 1.00 0.00 H new ATOM 0 HA ARG A 30 6.595 -19.199 -5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.866 -17.990 -4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.210 -19.209 -6.048 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.309 -20.550 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.434 -19.444 -3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.110 -21.202 -5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.290 -21.657 -3.443 1.00 0.00 H new ATOM 0 HE ARG A 30 1.925 -19.452 -3.014 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.575 -20.901 -6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.190 -20.825 -6.174 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.402 -19.768 -2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.303 -20.187 -4.267 1.00 0.00 H new ATOM 537 N GLN A 31 6.069 -16.133 -6.388 1.00 0.00 N ATOM 538 CA GLN A 31 6.685 -15.198 -7.325 1.00 0.00 C ATOM 539 C GLN A 31 7.282 -14.013 -6.566 1.00 0.00 C ATOM 540 O GLN A 31 6.589 -13.306 -5.838 1.00 0.00 O ATOM 541 CB GLN A 31 5.695 -14.710 -8.389 1.00 0.00 C ATOM 542 CG GLN A 31 5.420 -15.789 -9.440 1.00 0.00 C ATOM 543 CD GLN A 31 4.828 -15.173 -10.701 1.00 0.00 C ATOM 544 OE1 GLN A 31 5.551 -14.792 -11.618 1.00 0.00 O ATOM 545 NE2 GLN A 31 3.512 -15.068 -10.773 1.00 0.00 N ATOM 0 H GLN A 31 5.472 -15.683 -5.694 1.00 0.00 H new ATOM 0 HA GLN A 31 7.480 -15.730 -7.847 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.759 -14.420 -7.911 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.093 -13.820 -8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.346 -16.311 -9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.733 -16.532 -9.035 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.931 -15.391 -9.999 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.077 -14.664 -11.602 1.00 0.00 H new ATOM 554 N LYS A 32 8.573 -13.770 -6.779 1.00 0.00 N ATOM 555 CA LYS A 32 9.344 -12.717 -6.141 1.00 0.00 C ATOM 556 C LYS A 32 9.285 -11.421 -6.958 1.00 0.00 C ATOM 557 O LYS A 32 9.801 -10.389 -6.525 1.00 0.00 O ATOM 558 CB LYS A 32 10.789 -13.239 -6.023 1.00 0.00 C ATOM 559 CG LYS A 32 11.693 -12.507 -5.019 1.00 0.00 C ATOM 560 CD LYS A 32 11.290 -12.630 -3.541 1.00 0.00 C ATOM 561 CE LYS A 32 11.743 -13.928 -2.851 1.00 0.00 C ATOM 562 NZ LYS A 32 11.186 -15.156 -3.451 1.00 0.00 N ATOM 0 H LYS A 32 9.129 -14.327 -7.428 1.00 0.00 H new ATOM 0 HA LYS A 32 8.939 -12.477 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.751 -14.293 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.255 -13.185 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.709 -12.885 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.715 -11.450 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.704 -11.782 -2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.205 -12.557 -3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.831 -13.983 -2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.456 -13.887 -1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.229 -15.931 -2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.196 -14.991 -3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.740 -15.413 -4.293 1.00 0.00 H new ATOM 576 N ASN A 33 8.717 -11.463 -8.164 1.00 0.00 N ATOM 577 CA ASN A 33 8.439 -10.300 -8.982 1.00 0.00 C ATOM 578 C ASN A 33 6.934 -10.251 -9.256 1.00 0.00 C ATOM 579 O ASN A 33 6.358 -11.282 -9.608 1.00 0.00 O ATOM 580 CB ASN A 33 9.252 -10.377 -10.271 1.00 0.00 C ATOM 581 CG ASN A 33 8.676 -11.341 -11.298 1.00 0.00 C ATOM 582 OD1 ASN A 33 8.147 -10.909 -12.316 1.00 0.00 O ATOM 583 ND2 ASN A 33 8.811 -12.644 -11.086 1.00 0.00 N ATOM 0 H ASN A 33 8.432 -12.338 -8.604 1.00 0.00 H new ATOM 0 HA ASN A 33 8.728 -9.383 -8.469 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.312 -9.382 -10.713 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.271 -10.681 -10.031 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.471 -13.311 -11.778 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.255 -12.978 -10.231 1.00 0.00 H new ATOM 590 N PRO A 34 6.276 -9.097 -9.062 1.00 0.00 N ATOM 591 CA PRO A 34 4.827 -9.037 -9.084 1.00 0.00 C ATOM 592 C PRO A 34 4.317 -9.086 -10.523 1.00 0.00 C ATOM 593 O PRO A 34 4.179 -8.045 -11.169 1.00 0.00 O ATOM 594 CB PRO A 34 4.463 -7.737 -8.361 1.00 0.00 C ATOM 595 CG PRO A 34 5.687 -6.847 -8.568 1.00 0.00 C ATOM 596 CD PRO A 34 6.836 -7.851 -8.559 1.00 0.00 C ATOM 0 HA PRO A 34 4.359 -9.886 -8.586 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.564 -7.285 -8.780 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.269 -7.909 -7.302 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.635 -6.299 -9.509 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.789 -6.107 -7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.659 -7.510 -9.188 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.236 -7.979 -7.553 1.00 0.00 H new ATOM 604 N SER A 35 4.073 -10.290 -11.036 1.00 0.00 N ATOM 605 CA SER A 35 3.600 -10.524 -12.390 1.00 0.00 C ATOM 606 C SER A 35 2.183 -9.959 -12.575 1.00 0.00 C ATOM 607 O SER A 35 2.039 -8.748 -12.757 1.00 0.00 O ATOM 608 CB SER A 35 3.752 -12.014 -12.718 1.00 0.00 C ATOM 609 OG SER A 35 3.155 -12.369 -13.954 1.00 0.00 O ATOM 0 H SER A 35 4.204 -11.150 -10.503 1.00 0.00 H new ATOM 0 HA SER A 35 4.206 -9.984 -13.118 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.811 -12.269 -12.745 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.302 -12.605 -11.920 1.00 0.00 H new ATOM 0 HG SER A 35 3.282 -13.327 -14.115 1.00 0.00 H new ATOM 615 N LYS A 36 1.138 -10.791 -12.597 1.00 0.00 N ATOM 616 CA LYS A 36 -0.209 -10.308 -12.876 1.00 0.00 C ATOM 617 C LYS A 36 -1.293 -11.281 -12.428 1.00 0.00 C ATOM 618 O LYS A 36 -2.327 -10.843 -11.922 1.00 0.00 O ATOM 619 CB LYS A 36 -0.343 -10.023 -14.378 1.00 0.00 C ATOM 620 CG LYS A 36 -1.728 -9.505 -14.792 1.00 0.00 C ATOM 621 CD LYS A 36 -2.078 -8.128 -14.201 1.00 0.00 C ATOM 622 CE LYS A 36 -3.579 -8.036 -13.896 1.00 0.00 C ATOM 623 NZ LYS A 36 -3.962 -8.735 -12.651 1.00 0.00 N ATOM 0 H LYS A 36 1.202 -11.794 -12.426 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.355 -9.394 -12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.410 -9.290 -14.667 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.127 -10.937 -14.932 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.773 -9.445 -15.879 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.483 -10.226 -14.481 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.505 -7.962 -13.289 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.795 -7.343 -14.902 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.864 -6.987 -13.819 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.140 -8.458 -14.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.898 -9.171 -12.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.261 -9.473 -12.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.997 -8.053 -11.867 1.00 0.00 H new ATOM 637 N GLU A 37 -1.120 -12.570 -12.710 1.00 0.00 N ATOM 638 CA GLU A 37 -2.011 -13.599 -12.203 1.00 0.00 C ATOM 639 C GLU A 37 -1.710 -13.723 -10.707 1.00 0.00 C ATOM 640 O GLU A 37 -2.627 -13.732 -9.890 1.00 0.00 O ATOM 641 CB GLU A 37 -1.722 -14.875 -12.999 1.00 0.00 C ATOM 642 CG GLU A 37 -2.544 -16.110 -12.649 1.00 0.00 C ATOM 643 CD GLU A 37 -1.721 -17.335 -12.985 1.00 0.00 C ATOM 644 OE1 GLU A 37 -1.337 -17.496 -14.164 1.00 0.00 O ATOM 645 OE2 GLU A 37 -1.257 -17.999 -12.037 1.00 0.00 O ATOM 0 H GLU A 37 -0.362 -12.925 -13.293 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.073 -13.380 -12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.873 -14.656 -14.056 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.668 -15.122 -12.872 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.805 -16.106 -11.591 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.480 -16.115 -13.208 1.00 0.00 H new ATOM 652 N GLU A 38 -0.406 -13.723 -10.386 1.00 0.00 N ATOM 653 CA GLU A 38 0.169 -13.546 -9.058 1.00 0.00 C ATOM 654 C GLU A 38 -0.782 -12.761 -8.174 1.00 0.00 C ATOM 655 O GLU A 38 -1.316 -13.272 -7.194 1.00 0.00 O ATOM 656 CB GLU A 38 1.567 -12.898 -9.204 1.00 0.00 C ATOM 657 CG GLU A 38 1.985 -11.794 -8.214 1.00 0.00 C ATOM 658 CD GLU A 38 1.696 -10.360 -8.667 1.00 0.00 C ATOM 659 OE1 GLU A 38 1.110 -10.179 -9.758 1.00 0.00 O ATOM 660 OE2 GLU A 38 2.034 -9.428 -7.913 1.00 0.00 O ATOM 0 H GLU A 38 0.313 -13.855 -11.097 1.00 0.00 H new ATOM 0 HA GLU A 38 0.308 -14.506 -8.560 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.308 -13.695 -9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.633 -12.481 -10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.475 -11.967 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.054 -11.888 -8.022 1.00 0.00 H new ATOM 667 N ARG A 39 -0.985 -11.500 -8.515 1.00 0.00 N ATOM 668 CA ARG A 39 -1.612 -10.630 -7.559 1.00 0.00 C ATOM 669 C ARG A 39 -3.054 -11.025 -7.321 1.00 0.00 C ATOM 670 O ARG A 39 -3.461 -11.162 -6.168 1.00 0.00 O ATOM 671 CB ARG A 39 -1.440 -9.155 -7.935 1.00 0.00 C ATOM 672 CG ARG A 39 -1.870 -8.879 -9.377 1.00 0.00 C ATOM 673 CD ARG A 39 -1.366 -7.523 -9.843 1.00 0.00 C ATOM 674 NE ARG A 39 0.070 -7.558 -10.178 1.00 0.00 N ATOM 675 CZ ARG A 39 0.652 -6.506 -10.772 1.00 0.00 C ATOM 676 NH1 ARG A 39 -0.067 -5.394 -10.935 1.00 0.00 N ATOM 677 NH2 ARG A 39 1.905 -6.522 -11.216 1.00 0.00 N ATOM 0 H ARG A 39 -0.735 -11.077 -9.409 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.101 -10.752 -6.604 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.028 -8.537 -7.256 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.397 -8.867 -7.806 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.483 -9.660 -10.032 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.957 -8.912 -9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.935 -7.204 -10.716 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.539 -6.783 -9.062 1.00 0.00 H new ATOM 0 HE ARG A 39 0.623 -8.386 -9.957 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.034 -5.360 -10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.350 -4.578 -11.384 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.472 -7.363 -11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.299 -5.693 -11.661 1.00 0.00 H new ATOM 691 N GLU A 40 -3.791 -11.233 -8.410 1.00 0.00 N ATOM 692 CA GLU A 40 -5.186 -11.625 -8.370 1.00 0.00 C ATOM 693 C GLU A 40 -5.313 -12.871 -7.476 1.00 0.00 C ATOM 694 O GLU A 40 -6.233 -12.970 -6.666 1.00 0.00 O ATOM 695 CB GLU A 40 -5.702 -11.861 -9.795 1.00 0.00 C ATOM 696 CG GLU A 40 -6.768 -10.837 -10.236 1.00 0.00 C ATOM 697 CD GLU A 40 -6.172 -9.572 -10.832 1.00 0.00 C ATOM 698 OE1 GLU A 40 -5.338 -8.909 -10.181 1.00 0.00 O ATOM 699 OE2 GLU A 40 -6.439 -9.294 -12.020 1.00 0.00 O ATOM 0 H GLU A 40 -3.424 -11.131 -9.356 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.805 -10.836 -7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.862 -11.822 -10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.123 -12.864 -9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.427 -11.301 -10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.384 -10.571 -9.377 1.00 0.00 H new ATOM 706 N THR A 41 -4.351 -13.791 -7.594 1.00 0.00 N ATOM 707 CA THR A 41 -4.273 -14.994 -6.808 1.00 0.00 C ATOM 708 C THR A 41 -4.266 -14.637 -5.326 1.00 0.00 C ATOM 709 O THR A 41 -5.136 -15.118 -4.607 1.00 0.00 O ATOM 710 CB THR A 41 -3.105 -15.878 -7.289 1.00 0.00 C ATOM 711 OG1 THR A 41 -3.574 -16.803 -8.256 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.400 -16.638 -6.173 1.00 0.00 C ATOM 0 H THR A 41 -3.588 -13.702 -8.265 1.00 0.00 H new ATOM 0 HA THR A 41 -5.158 -15.615 -6.950 1.00 0.00 H new ATOM 0 HB THR A 41 -2.368 -15.197 -7.716 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.830 -17.363 -8.561 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.592 -17.236 -6.594 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.990 -15.930 -5.453 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.113 -17.293 -5.672 1.00 0.00 H new ATOM 720 N LEU A 42 -3.354 -13.791 -4.833 1.00 0.00 N ATOM 721 CA LEU A 42 -3.440 -13.439 -3.444 1.00 0.00 C ATOM 722 C LEU A 42 -4.701 -12.709 -3.087 1.00 0.00 C ATOM 723 O LEU A 42 -5.181 -12.883 -1.978 1.00 0.00 O ATOM 724 CB LEU A 42 -2.263 -12.702 -2.839 1.00 0.00 C ATOM 725 CG LEU A 42 -0.842 -12.815 -3.349 1.00 0.00 C ATOM 726 CD1 LEU A 42 -0.513 -14.142 -4.030 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.431 -11.561 -4.076 1.00 0.00 C ATOM 0 H LEU A 42 -2.590 -13.365 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.435 -14.432 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.516 -11.642 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.233 -12.987 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.183 -12.871 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.525 -14.133 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.660 -14.960 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.168 -14.282 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.594 -11.667 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.096 -11.398 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.493 -10.710 -3.398 1.00 0.00 H new ATOM 739 N VAL A 43 -5.206 -11.837 -3.950 1.00 0.00 N ATOM 740 CA VAL A 43 -6.478 -11.214 -3.607 1.00 0.00 C ATOM 741 C VAL A 43 -7.520 -12.291 -3.280 1.00 0.00 C ATOM 742 O VAL A 43 -8.149 -12.202 -2.233 1.00 0.00 O ATOM 743 CB VAL A 43 -7.017 -10.196 -4.618 1.00 0.00 C ATOM 744 CG1 VAL A 43 -7.934 -9.258 -3.830 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.962 -9.303 -5.257 1.00 0.00 C ATOM 0 H VAL A 43 -4.788 -11.557 -4.837 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.273 -10.610 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.490 -10.764 -5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.350 -8.507 -4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.745 -9.833 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.362 -8.765 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.441 -8.618 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.451 -8.732 -4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.238 -9.919 -5.791 1.00 0.00 H new ATOM 755 N GLU A 44 -7.656 -13.314 -4.125 1.00 0.00 N ATOM 756 CA GLU A 44 -8.502 -14.480 -3.881 1.00 0.00 C ATOM 757 C GLU A 44 -8.108 -15.160 -2.558 1.00 0.00 C ATOM 758 O GLU A 44 -8.863 -15.102 -1.588 1.00 0.00 O ATOM 759 CB GLU A 44 -8.409 -15.385 -5.123 1.00 0.00 C ATOM 760 CG GLU A 44 -8.863 -16.839 -4.967 1.00 0.00 C ATOM 761 CD GLU A 44 -10.310 -16.981 -4.543 1.00 0.00 C ATOM 762 OE1 GLU A 44 -10.569 -17.072 -3.327 1.00 0.00 O ATOM 763 OE2 GLU A 44 -11.178 -17.167 -5.417 1.00 0.00 O ATOM 0 H GLU A 44 -7.168 -13.354 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.549 -14.209 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.001 -14.930 -5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.373 -15.389 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.718 -17.360 -5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.228 -17.332 -4.231 1.00 0.00 H new ATOM 770 N GLU A 45 -6.916 -15.763 -2.498 1.00 0.00 N ATOM 771 CA GLU A 45 -6.385 -16.487 -1.338 1.00 0.00 C ATOM 772 C GLU A 45 -6.688 -15.705 -0.045 1.00 0.00 C ATOM 773 O GLU A 45 -7.219 -16.231 0.937 1.00 0.00 O ATOM 774 CB GLU A 45 -4.867 -16.703 -1.533 1.00 0.00 C ATOM 775 CG GLU A 45 -4.413 -18.163 -1.707 1.00 0.00 C ATOM 776 CD GLU A 45 -2.933 -18.283 -2.074 1.00 0.00 C ATOM 777 OE1 GLU A 45 -2.313 -17.254 -2.416 1.00 0.00 O ATOM 778 OE2 GLU A 45 -2.399 -19.412 -2.009 1.00 0.00 O ATOM 0 H GLU A 45 -6.269 -15.760 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.864 -17.462 -1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.549 -16.137 -2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.346 -16.281 -0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.599 -18.709 -0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.015 -18.636 -2.483 1.00 0.00 H new ATOM 785 N CYS A 46 -6.354 -14.418 -0.067 1.00 0.00 N ATOM 786 CA CYS A 46 -6.484 -13.496 1.051 1.00 0.00 C ATOM 787 C CYS A 46 -7.950 -13.254 1.376 1.00 0.00 C ATOM 788 O CYS A 46 -8.352 -13.372 2.527 1.00 0.00 O ATOM 789 CB CYS A 46 -5.876 -12.134 0.705 1.00 0.00 C ATOM 790 SG CYS A 46 -6.068 -11.033 2.127 1.00 0.00 S ATOM 0 H CYS A 46 -5.970 -13.973 -0.900 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.966 -13.946 1.898 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.821 -12.244 0.453 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.370 -11.711 -0.170 1.00 0.00 H new ATOM 0 HG CYS A 46 -5.554 -9.872 1.849 1.00 0.00 H new ATOM 796 N ASN A 47 -8.733 -12.820 0.386 1.00 0.00 N ATOM 797 CA ASN A 47 -10.173 -12.598 0.488 1.00 0.00 C ATOM 798 C ASN A 47 -10.798 -13.782 1.199 1.00 0.00 C ATOM 799 O ASN A 47 -11.466 -13.613 2.213 1.00 0.00 O ATOM 800 CB ASN A 47 -10.856 -12.476 -0.892 1.00 0.00 C ATOM 801 CG ASN A 47 -10.908 -11.077 -1.485 1.00 0.00 C ATOM 802 OD1 ASN A 47 -10.720 -10.886 -2.680 1.00 0.00 O ATOM 803 ND2 ASN A 47 -11.259 -10.065 -0.703 1.00 0.00 N ATOM 0 H ASN A 47 -8.366 -12.606 -0.541 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.317 -11.663 1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.335 -13.128 -1.593 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.876 -12.851 -0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.372 -9.131 -1.097 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.416 -10.221 0.293 1.00 0.00 H new ATOM 810 N ARG A 48 -10.591 -14.972 0.648 1.00 0.00 N ATOM 811 CA ARG A 48 -11.183 -16.196 1.134 1.00 0.00 C ATOM 812 C ARG A 48 -10.759 -16.415 2.584 1.00 0.00 C ATOM 813 O ARG A 48 -11.605 -16.537 3.464 1.00 0.00 O ATOM 814 CB ARG A 48 -10.783 -17.345 0.201 1.00 0.00 C ATOM 815 CG ARG A 48 -11.727 -18.544 0.351 1.00 0.00 C ATOM 816 CD ARG A 48 -11.426 -19.639 -0.682 1.00 0.00 C ATOM 817 NE ARG A 48 -11.626 -19.157 -2.064 1.00 0.00 N ATOM 818 CZ ARG A 48 -12.006 -19.888 -3.121 1.00 0.00 C ATOM 819 NH1 ARG A 48 -12.134 -21.213 -2.990 1.00 0.00 N ATOM 820 NH2 ARG A 48 -12.267 -19.310 -4.291 1.00 0.00 N ATOM 0 H ARG A 48 -9.992 -15.108 -0.167 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.272 -16.144 1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.795 -16.998 -0.832 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.761 -17.655 0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.634 -18.957 1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.759 -18.211 0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.398 -19.981 -0.561 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.071 -20.499 -0.500 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.457 -18.165 -2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.943 -21.658 -2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.423 -21.779 -3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.179 -18.299 -4.391 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.555 -19.878 -5.087 1.00 0.00 H new ATOM 834 N ALA A 49 -9.454 -16.406 2.856 1.00 0.00 N ATOM 835 CA ALA A 49 -8.953 -16.545 4.215 1.00 0.00 C ATOM 836 C ALA A 49 -9.618 -15.534 5.158 1.00 0.00 C ATOM 837 O ALA A 49 -10.058 -15.881 6.252 1.00 0.00 O ATOM 838 CB ALA A 49 -7.432 -16.380 4.231 1.00 0.00 C ATOM 0 H ALA A 49 -8.727 -16.303 2.148 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.204 -17.544 4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.065 -16.485 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.976 -17.144 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.169 -15.393 3.851 1.00 0.00 H new ATOM 844 N GLU A 50 -9.695 -14.271 4.747 1.00 0.00 N ATOM 845 CA GLU A 50 -10.139 -13.180 5.598 1.00 0.00 C ATOM 846 C GLU A 50 -11.659 -13.260 5.779 1.00 0.00 C ATOM 847 O GLU A 50 -12.188 -12.884 6.827 1.00 0.00 O ATOM 848 CB GLU A 50 -9.616 -11.854 5.015 1.00 0.00 C ATOM 849 CG GLU A 50 -9.880 -10.574 5.824 1.00 0.00 C ATOM 850 CD GLU A 50 -9.444 -10.653 7.277 1.00 0.00 C ATOM 851 OE1 GLU A 50 -10.196 -11.265 8.067 1.00 0.00 O ATOM 852 OE2 GLU A 50 -8.429 -10.016 7.623 1.00 0.00 O ATOM 0 H GLU A 50 -9.447 -13.977 3.802 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.727 -13.249 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.539 -11.949 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.055 -11.724 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.362 -9.743 5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.946 -10.349 5.788 1.00 0.00 H new ATOM 859 N CYS A 51 -12.385 -13.782 4.787 1.00 0.00 N ATOM 860 CA CYS A 51 -13.781 -14.136 5.003 1.00 0.00 C ATOM 861 C CYS A 51 -13.854 -15.257 6.030 1.00 0.00 C ATOM 862 O CYS A 51 -14.600 -15.121 6.987 1.00 0.00 O ATOM 863 CB CYS A 51 -14.576 -14.417 3.715 1.00 0.00 C ATOM 864 SG CYS A 51 -14.881 -16.174 3.399 1.00 0.00 S ATOM 0 H CYS A 51 -12.034 -13.964 3.847 1.00 0.00 H new ATOM 0 HA CYS A 51 -14.291 -13.261 5.405 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.533 -13.898 3.772 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -14.035 -13.996 2.868 1.00 0.00 H new ATOM 0 HG CYS A 51 -15.806 -16.606 4.204 1.00 0.00 H new ATOM 870 N ILE A 52 -13.038 -16.307 5.924 1.00 0.00 N ATOM 871 CA ILE A 52 -13.112 -17.465 6.810 1.00 0.00 C ATOM 872 C ILE A 52 -12.784 -17.023 8.237 1.00 0.00 C ATOM 873 O ILE A 52 -13.369 -17.521 9.194 1.00 0.00 O ATOM 874 CB ILE A 52 -12.205 -18.598 6.286 1.00 0.00 C ATOM 875 CG1 ILE A 52 -12.816 -19.186 4.999 1.00 0.00 C ATOM 876 CG2 ILE A 52 -12.028 -19.715 7.328 1.00 0.00 C ATOM 877 CD1 ILE A 52 -11.843 -20.080 4.222 1.00 0.00 C ATOM 0 H ILE A 52 -12.305 -16.376 5.218 1.00 0.00 H new ATOM 0 HA ILE A 52 -14.121 -17.877 6.826 1.00 0.00 H new ATOM 0 HB ILE A 52 -11.222 -18.175 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -13.703 -19.764 5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.143 -18.370 4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -11.383 -20.494 6.921 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.575 -19.303 8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.001 -20.141 7.573 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -12.335 -20.462 3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.966 -19.500 3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -11.535 -20.915 4.851 1.00 0.00 H new ATOM 889 N GLN A 53 -11.933 -16.009 8.388 1.00 0.00 N ATOM 890 CA GLN A 53 -11.627 -15.408 9.685 1.00 0.00 C ATOM 891 C GLN A 53 -12.829 -14.689 10.332 1.00 0.00 C ATOM 892 O GLN A 53 -12.615 -13.933 11.278 1.00 0.00 O ATOM 893 CB GLN A 53 -10.444 -14.431 9.552 1.00 0.00 C ATOM 894 CG GLN A 53 -9.077 -15.109 9.382 1.00 0.00 C ATOM 895 CD GLN A 53 -7.924 -14.100 9.399 1.00 0.00 C ATOM 896 OE1 GLN A 53 -6.802 -14.429 9.773 1.00 0.00 O ATOM 897 NE2 GLN A 53 -8.159 -12.850 9.020 1.00 0.00 N ATOM 0 H GLN A 53 -11.434 -15.579 7.609 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.364 -16.232 10.348 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.621 -13.779 8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.413 -13.795 10.437 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.932 -15.837 10.181 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.061 -15.660 8.442 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.092 -12.578 8.709 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.407 -12.161 9.039 1.00 0.00 H new ATOM 906 N ARG A 54 -14.065 -14.836 9.847 1.00 0.00 N ATOM 907 CA ARG A 54 -15.281 -14.371 10.521 1.00 0.00 C ATOM 908 C ARG A 54 -16.482 -15.234 10.120 1.00 0.00 C ATOM 909 O ARG A 54 -17.390 -15.457 10.911 1.00 0.00 O ATOM 910 CB ARG A 54 -15.545 -12.896 10.170 1.00 0.00 C ATOM 911 CG ARG A 54 -15.078 -11.957 11.300 1.00 0.00 C ATOM 912 CD ARG A 54 -14.875 -10.497 10.879 1.00 0.00 C ATOM 913 NE ARG A 54 -14.289 -10.327 9.541 1.00 0.00 N ATOM 914 CZ ARG A 54 -13.090 -10.743 9.095 1.00 0.00 C ATOM 915 NH1 ARG A 54 -12.284 -11.540 9.796 1.00 0.00 N ATOM 916 NH2 ARG A 54 -12.688 -10.330 7.900 1.00 0.00 N ATOM 0 H ARG A 54 -14.253 -15.292 8.954 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.138 -14.459 11.598 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.026 -12.642 9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -16.610 -12.748 9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.811 -11.990 12.107 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.140 -12.337 11.705 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.837 -9.986 10.909 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.231 -10.007 11.609 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.866 -9.829 8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.567 -11.866 10.720 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.385 -11.824 9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.283 -9.714 7.346 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.784 -10.629 7.535 1.00 0.00 H new ATOM 930 N GLY A 55 -16.503 -15.652 8.862 1.00 0.00 N ATOM 931 CA GLY A 55 -17.529 -16.396 8.171 1.00 0.00 C ATOM 932 C GLY A 55 -17.740 -15.669 6.847 1.00 0.00 C ATOM 933 O GLY A 55 -17.175 -16.042 5.821 1.00 0.00 O ATOM 0 H GLY A 55 -15.717 -15.454 8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.221 -17.429 8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.450 -16.427 8.753 1.00 0.00 H new ATOM 937 N VAL A 56 -18.469 -14.553 6.928 1.00 0.00 N ATOM 938 CA VAL A 56 -18.903 -13.700 5.826 1.00 0.00 C ATOM 939 C VAL A 56 -19.613 -14.501 4.712 1.00 0.00 C ATOM 940 O VAL A 56 -19.620 -15.727 4.692 1.00 0.00 O ATOM 941 CB VAL A 56 -17.709 -12.813 5.399 1.00 0.00 C ATOM 942 CG1 VAL A 56 -17.784 -12.203 3.997 1.00 0.00 C ATOM 943 CG2 VAL A 56 -17.520 -11.665 6.397 1.00 0.00 C ATOM 0 H VAL A 56 -18.792 -14.200 7.829 1.00 0.00 H new ATOM 0 HA VAL A 56 -19.691 -13.015 6.139 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.868 -13.506 5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.893 -11.603 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.845 -13.000 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.668 -11.570 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.677 -11.048 6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -18.424 -11.056 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -17.324 -12.073 7.389 1.00 0.00 H new ATOM 953 N SER A 57 -20.292 -13.812 3.794 1.00 0.00 N ATOM 954 CA SER A 57 -20.820 -14.454 2.601 1.00 0.00 C ATOM 955 C SER A 57 -19.594 -14.878 1.784 1.00 0.00 C ATOM 956 O SER A 57 -18.869 -13.978 1.365 1.00 0.00 O ATOM 957 CB SER A 57 -21.643 -13.438 1.799 1.00 0.00 C ATOM 958 OG SER A 57 -23.025 -13.736 1.744 1.00 0.00 O ATOM 0 H SER A 57 -20.486 -12.813 3.858 1.00 0.00 H new ATOM 0 HA SER A 57 -21.462 -15.302 2.842 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.512 -12.450 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.251 -13.389 0.783 1.00 0.00 H new ATOM 0 HG SER A 57 -23.265 -14.010 0.834 1.00 0.00 H new ATOM 964 N PRO A 58 -19.339 -16.165 1.509 1.00 0.00 N ATOM 965 CA PRO A 58 -18.160 -16.560 0.747 1.00 0.00 C ATOM 966 C PRO A 58 -18.150 -15.872 -0.622 1.00 0.00 C ATOM 967 O PRO A 58 -17.142 -15.323 -1.059 1.00 0.00 O ATOM 968 CB PRO A 58 -18.223 -18.088 0.651 1.00 0.00 C ATOM 969 CG PRO A 58 -19.697 -18.425 0.892 1.00 0.00 C ATOM 970 CD PRO A 58 -20.167 -17.314 1.833 1.00 0.00 C ATOM 0 HA PRO A 58 -17.230 -16.254 1.226 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.890 -18.439 -0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.581 -18.560 1.395 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.265 -18.430 -0.038 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.815 -19.410 1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -21.224 -17.092 1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -20.046 -17.605 2.877 1.00 0.00 H new ATOM 978 N SER A 59 -19.314 -15.840 -1.267 1.00 0.00 N ATOM 979 CA SER A 59 -19.548 -15.142 -2.519 1.00 0.00 C ATOM 980 C SER A 59 -19.176 -13.656 -2.441 1.00 0.00 C ATOM 981 O SER A 59 -18.881 -13.041 -3.461 1.00 0.00 O ATOM 982 CB SER A 59 -21.030 -15.324 -2.869 1.00 0.00 C ATOM 983 OG SER A 59 -21.812 -15.345 -1.677 1.00 0.00 O ATOM 0 H SER A 59 -20.145 -16.317 -0.917 1.00 0.00 H new ATOM 0 HA SER A 59 -18.909 -15.562 -3.296 1.00 0.00 H new ATOM 0 HB2 SER A 59 -21.362 -14.513 -3.517 1.00 0.00 H new ATOM 0 HB3 SER A 59 -21.170 -16.252 -3.423 1.00 0.00 H new ATOM 0 HG SER A 59 -22.757 -15.460 -1.908 1.00 0.00 H new ATOM 989 N GLN A 60 -19.221 -13.069 -1.245 1.00 0.00 N ATOM 990 CA GLN A 60 -18.881 -11.682 -0.994 1.00 0.00 C ATOM 991 C GLN A 60 -17.610 -11.612 -0.146 1.00 0.00 C ATOM 992 O GLN A 60 -17.510 -10.769 0.744 1.00 0.00 O ATOM 993 CB GLN A 60 -20.052 -10.973 -0.296 1.00 0.00 C ATOM 994 CG GLN A 60 -21.379 -11.102 -1.058 1.00 0.00 C ATOM 995 CD GLN A 60 -22.485 -10.339 -0.336 1.00 0.00 C ATOM 996 OE1 GLN A 60 -22.629 -9.137 -0.523 1.00 0.00 O ATOM 997 NE2 GLN A 60 -23.263 -11.001 0.515 1.00 0.00 N ATOM 0 H GLN A 60 -19.505 -13.568 -0.402 1.00 0.00 H new ATOM 0 HA GLN A 60 -18.694 -11.173 -1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.174 -11.387 0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -19.810 -9.917 -0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -21.263 -10.715 -2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -21.653 -12.153 -1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -23.127 -12.002 0.657 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -23.995 -10.508 1.026 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.601 -12.440 -0.428 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.313 -12.295 0.244 1.00 0.00 C ATOM 1008 C ALA A 61 -14.619 -10.977 -0.123 1.00 0.00 C ATOM 1009 O ALA A 61 -13.662 -10.586 0.539 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.393 -13.480 -0.030 1.00 0.00 C ATOM 0 H ALA A 61 -16.650 -13.203 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.524 -12.274 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.445 -13.332 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.863 -14.396 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.212 -13.560 -1.102 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.098 -10.263 -1.146 1.00 0.00 N ATOM 1017 CA GLN A 62 -14.681 -8.890 -1.413 1.00 0.00 C ATOM 1018 C GLN A 62 -15.342 -7.887 -0.447 1.00 0.00 C ATOM 1019 O GLN A 62 -15.079 -6.692 -0.519 1.00 0.00 O ATOM 1020 CB GLN A 62 -14.937 -8.529 -2.888 1.00 0.00 C ATOM 1021 CG GLN A 62 -13.716 -8.794 -3.788 1.00 0.00 C ATOM 1022 CD GLN A 62 -12.601 -7.767 -3.565 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -12.831 -6.565 -3.648 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -11.392 -8.207 -3.239 1.00 0.00 N ATOM 0 H GLN A 62 -15.784 -10.623 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.608 -8.822 -1.232 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -15.786 -9.105 -3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -15.212 -7.477 -2.957 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.331 -9.795 -3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.025 -8.772 -4.833 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.215 -9.209 -3.174 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.640 -7.543 -3.054 1.00 0.00 H new ATOM 1033 N GLY A 63 -16.197 -8.327 0.475 1.00 0.00 N ATOM 1034 CA GLY A 63 -17.008 -7.431 1.286 1.00 0.00 C ATOM 1035 C GLY A 63 -16.369 -7.035 2.618 1.00 0.00 C ATOM 1036 O GLY A 63 -17.053 -6.468 3.466 1.00 0.00 O ATOM 0 H GLY A 63 -16.344 -9.316 0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.214 -6.527 0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -17.968 -7.908 1.485 1.00 0.00 H new ATOM 1040 N LEU A 64 -15.078 -7.293 2.867 1.00 0.00 N ATOM 1041 CA LEU A 64 -14.564 -7.248 4.242 1.00 0.00 C ATOM 1042 C LEU A 64 -14.264 -5.821 4.723 1.00 0.00 C ATOM 1043 O LEU A 64 -13.469 -5.661 5.644 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.276 -8.074 4.404 1.00 0.00 C ATOM 1045 CG LEU A 64 -13.263 -9.565 4.035 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -14.552 -10.114 3.444 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -12.106 -9.799 3.059 1.00 0.00 C ATOM 0 H LEU A 64 -14.386 -7.529 2.155 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.364 -7.672 4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.503 -7.587 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.972 -7.997 5.448 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.143 -10.110 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -14.428 -11.174 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.364 -9.986 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.789 -9.576 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.073 -10.852 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.254 -9.191 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.166 -9.521 3.536 1.00 0.00 H new ATOM 1059 N GLY A 65 -14.899 -4.804 4.139 1.00 0.00 N ATOM 1060 CA GLY A 65 -14.958 -3.406 4.560 1.00 0.00 C ATOM 1061 C GLY A 65 -13.666 -2.806 5.125 1.00 0.00 C ATOM 1062 O GLY A 65 -13.043 -1.940 4.506 1.00 0.00 O ATOM 0 H GLY A 65 -15.433 -4.953 3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.267 -2.805 3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.738 -3.310 5.316 1.00 0.00 H new ATOM 1066 N SER A 66 -13.312 -3.179 6.350 1.00 0.00 N ATOM 1067 CA SER A 66 -12.116 -2.746 7.030 1.00 0.00 C ATOM 1068 C SER A 66 -10.900 -3.461 6.440 1.00 0.00 C ATOM 1069 O SER A 66 -9.931 -2.808 6.065 1.00 0.00 O ATOM 1070 CB SER A 66 -12.278 -3.050 8.523 1.00 0.00 C ATOM 1071 OG SER A 66 -12.571 -1.844 9.208 1.00 0.00 O ATOM 0 H SER A 66 -13.878 -3.816 6.910 1.00 0.00 H new ATOM 0 HA SER A 66 -11.961 -1.675 6.900 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.078 -3.774 8.676 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.365 -3.496 8.918 1.00 0.00 H new ATOM 0 HG SER A 66 -12.678 -2.029 10.164 1.00 0.00 H new ATOM 1077 N ASN A 67 -10.949 -4.792 6.406 1.00 0.00 N ATOM 1078 CA ASN A 67 -9.802 -5.655 6.134 1.00 0.00 C ATOM 1079 C ASN A 67 -9.548 -5.769 4.636 1.00 0.00 C ATOM 1080 O ASN A 67 -8.436 -6.086 4.235 1.00 0.00 O ATOM 1081 CB ASN A 67 -10.028 -7.079 6.674 1.00 0.00 C ATOM 1082 CG ASN A 67 -10.407 -7.152 8.149 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -11.340 -6.477 8.580 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -9.734 -7.976 8.938 1.00 0.00 N ATOM 0 H ASN A 67 -11.810 -5.313 6.571 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.947 -5.198 6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.814 -7.554 6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.119 -7.660 6.518 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.987 -8.059 9.923 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.963 -8.527 8.561 1.00 0.00 H new ATOM 1091 N LEU A 68 -10.605 -5.592 3.834 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.650 -5.937 2.418 1.00 0.00 C ATOM 1093 C LEU A 68 -9.338 -5.678 1.673 1.00 0.00 C ATOM 1094 O LEU A 68 -8.897 -4.534 1.560 1.00 0.00 O ATOM 1095 CB LEU A 68 -11.750 -5.134 1.725 1.00 0.00 C ATOM 1096 CG LEU A 68 -11.786 -5.429 0.218 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -12.119 -6.904 -0.006 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.752 -4.485 -0.498 1.00 0.00 C ATOM 0 H LEU A 68 -11.480 -5.190 4.170 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.843 -7.009 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.716 -5.376 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.583 -4.069 1.886 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.804 -5.244 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.144 -7.113 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.358 -7.525 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.092 -7.128 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.761 -4.713 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.755 -4.614 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.430 -3.454 -0.350 1.00 0.00 H new ATOM 1110 N VAL A 69 -8.810 -6.725 1.050 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.740 -6.624 0.078 1.00 0.00 C ATOM 1112 C VAL A 69 -8.315 -6.190 -1.284 1.00 0.00 C ATOM 1113 O VAL A 69 -9.313 -6.729 -1.759 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.967 -7.953 0.039 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -7.861 -9.135 -0.351 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -5.702 -7.835 -0.828 1.00 0.00 C ATOM 0 H VAL A 69 -9.122 -7.682 1.212 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.021 -5.854 0.360 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.630 -8.170 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.269 -10.050 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.668 -9.236 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.283 -8.961 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.176 -8.790 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.983 -7.566 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.049 -7.065 -0.416 1.00 0.00 H new ATOM 1126 N THR A 70 -7.693 -5.199 -1.916 1.00 0.00 N ATOM 1127 CA THR A 70 -7.927 -4.814 -3.301 1.00 0.00 C ATOM 1128 C THR A 70 -6.642 -5.097 -4.087 1.00 0.00 C ATOM 1129 O THR A 70 -5.569 -4.918 -3.512 1.00 0.00 O ATOM 1130 CB THR A 70 -8.232 -3.312 -3.325 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.187 -2.586 -2.691 1.00 0.00 O ATOM 1132 CG2 THR A 70 -9.529 -2.991 -2.578 1.00 0.00 C ATOM 0 H THR A 70 -6.987 -4.622 -1.459 1.00 0.00 H new ATOM 0 HA THR A 70 -8.758 -5.366 -3.740 1.00 0.00 H new ATOM 0 HB THR A 70 -8.328 -3.026 -4.372 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.393 -1.628 -2.715 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.714 -1.917 -2.615 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.359 -3.519 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.438 -3.308 -1.539 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.708 -5.460 -5.370 1.00 0.00 N ATOM 1141 CA GLU A 71 -5.529 -5.826 -6.154 1.00 0.00 C ATOM 1142 C GLU A 71 -4.344 -4.860 -6.005 1.00 0.00 C ATOM 1143 O GLU A 71 -3.227 -5.298 -5.725 1.00 0.00 O ATOM 1144 CB GLU A 71 -5.901 -6.163 -7.601 1.00 0.00 C ATOM 1145 CG GLU A 71 -6.676 -5.061 -8.321 1.00 0.00 C ATOM 1146 CD GLU A 71 -5.773 -3.963 -8.824 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -4.818 -4.281 -9.559 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -5.988 -2.797 -8.430 1.00 0.00 O ATOM 0 H GLU A 71 -7.582 -5.508 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.141 -6.747 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.989 -6.374 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.498 -7.075 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.222 -5.492 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.416 -4.637 -7.642 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.563 -3.546 -6.110 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.434 -2.628 -6.026 1.00 0.00 C ATOM 1157 C VAL A 72 -2.710 -2.780 -4.698 1.00 0.00 C ATOM 1158 O VAL A 72 -1.532 -2.489 -4.650 1.00 0.00 O ATOM 1159 CB VAL A 72 -3.812 -1.150 -6.261 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -4.397 -0.467 -5.011 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -2.578 -0.342 -6.698 1.00 0.00 C ATOM 0 H VAL A 72 -5.475 -3.111 -6.248 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.767 -2.908 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.575 -1.163 -7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.642 0.569 -5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.300 -0.992 -4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.664 -0.495 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.862 0.698 -6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.816 -0.393 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.180 -0.757 -7.624 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.362 -3.196 -3.609 1.00 0.00 N ATOM 1172 CA ARG A 73 -2.677 -3.374 -2.343 1.00 0.00 C ATOM 1173 C ARG A 73 -1.613 -4.456 -2.469 1.00 0.00 C ATOM 1174 O ARG A 73 -0.496 -4.270 -1.986 1.00 0.00 O ATOM 1175 CB ARG A 73 -3.685 -3.685 -1.239 1.00 0.00 C ATOM 1176 CG ARG A 73 -4.496 -2.416 -0.939 1.00 0.00 C ATOM 1177 CD ARG A 73 -3.797 -1.568 0.125 1.00 0.00 C ATOM 1178 NE ARG A 73 -3.552 -2.291 1.375 1.00 0.00 N ATOM 1179 CZ ARG A 73 -3.120 -1.724 2.511 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -2.641 -0.481 2.488 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -3.214 -2.393 3.657 1.00 0.00 N ATOM 0 H ARG A 73 -4.358 -3.413 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.170 -2.448 -2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.348 -4.492 -1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.169 -4.024 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.620 -1.833 -1.852 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.494 -2.689 -0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.847 -1.211 -0.272 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.405 -0.688 0.336 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.722 -3.297 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.604 0.035 1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.311 -0.045 3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.613 -3.332 3.668 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.887 -1.967 4.524 1.00 0.00 H new ATOM 1195 N VAL A 74 -1.932 -5.566 -3.136 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.901 -6.532 -3.471 1.00 0.00 C ATOM 1197 C VAL A 74 0.201 -5.795 -4.228 1.00 0.00 C ATOM 1198 O VAL A 74 1.379 -5.817 -3.869 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.459 -7.673 -4.327 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.270 -8.466 -4.865 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.406 -8.571 -3.523 1.00 0.00 C ATOM 0 H VAL A 74 -2.873 -5.809 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.510 -6.979 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.049 -7.268 -5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.631 -9.290 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.361 -7.812 -5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.309 -8.863 -4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.782 -9.369 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.868 -9.005 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.243 -7.978 -3.153 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.195 -5.101 -5.288 1.00 0.00 N ATOM 1212 CA TYR A 75 0.787 -4.418 -6.097 1.00 0.00 C ATOM 1213 C TYR A 75 1.572 -3.383 -5.281 1.00 0.00 C ATOM 1214 O TYR A 75 2.704 -3.068 -5.611 1.00 0.00 O ATOM 1215 CB TYR A 75 0.128 -3.800 -7.335 1.00 0.00 C ATOM 1216 CG TYR A 75 1.117 -3.513 -8.450 1.00 0.00 C ATOM 1217 CD1 TYR A 75 2.153 -4.418 -8.757 1.00 0.00 C ATOM 1218 CD2 TYR A 75 1.106 -2.252 -9.061 1.00 0.00 C ATOM 1219 CE1 TYR A 75 3.235 -4.009 -9.550 1.00 0.00 C ATOM 1220 CE2 TYR A 75 2.177 -1.848 -9.875 1.00 0.00 C ATOM 1221 CZ TYR A 75 3.249 -2.723 -10.102 1.00 0.00 C ATOM 1222 OH TYR A 75 4.353 -2.291 -10.770 1.00 0.00 O ATOM 0 H TYR A 75 -1.162 -5.001 -5.596 1.00 0.00 H new ATOM 0 HA TYR A 75 1.514 -5.153 -6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.643 -4.476 -7.705 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.370 -2.873 -7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.113 -5.429 -8.380 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.269 -1.587 -8.905 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.056 -4.686 -9.734 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.175 -0.866 -10.325 1.00 0.00 H new ATOM 0 HH TYR A 75 4.203 -1.378 -11.093 1.00 0.00 H new ATOM 1232 N ASN A 76 0.980 -2.853 -4.216 1.00 0.00 N ATOM 1233 CA ASN A 76 1.475 -1.766 -3.395 1.00 0.00 C ATOM 1234 C ASN A 76 2.582 -2.279 -2.502 1.00 0.00 C ATOM 1235 O ASN A 76 3.683 -1.724 -2.498 1.00 0.00 O ATOM 1236 CB ASN A 76 0.335 -1.218 -2.531 1.00 0.00 C ATOM 1237 CG ASN A 76 0.708 0.041 -1.784 1.00 0.00 C ATOM 1238 OD1 ASN A 76 1.710 0.106 -1.077 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -0.110 1.069 -1.933 1.00 0.00 N ATOM 0 H ASN A 76 0.079 -3.199 -3.885 1.00 0.00 H new ATOM 0 HA ASN A 76 1.859 -0.971 -4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.528 -1.014 -3.165 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.031 -1.981 -1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.083 1.948 -1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.934 0.983 -2.528 1.00 0.00 H new ATOM 1246 N TRP A 77 2.284 -3.324 -1.725 1.00 0.00 N ATOM 1247 CA TRP A 77 3.289 -3.889 -0.848 1.00 0.00 C ATOM 1248 C TRP A 77 4.435 -4.390 -1.723 1.00 0.00 C ATOM 1249 O TRP A 77 5.578 -4.099 -1.409 1.00 0.00 O ATOM 1250 CB TRP A 77 2.737 -4.958 0.109 1.00 0.00 C ATOM 1251 CG TRP A 77 3.002 -6.364 -0.321 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.293 -7.017 -1.256 1.00 0.00 C ATOM 1253 CD2 TRP A 77 4.037 -7.299 0.108 1.00 0.00 C ATOM 1254 NE1 TRP A 77 2.908 -8.208 -1.563 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.925 -8.483 -0.678 1.00 0.00 C ATOM 1256 CE3 TRP A 77 5.028 -7.294 1.111 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.723 -9.613 -0.458 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 5.686 -8.485 1.455 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.582 -9.626 0.649 1.00 0.00 C ATOM 0 H TRP A 77 1.373 -3.781 -1.691 1.00 0.00 H new ATOM 0 HA TRP A 77 3.657 -3.118 -0.171 1.00 0.00 H new ATOM 0 HB2 TRP A 77 3.172 -4.804 1.097 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.661 -4.818 0.210 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.376 -6.660 -1.701 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.645 -8.809 -2.344 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.281 -6.373 1.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.677 -10.458 -1.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.282 -8.522 2.355 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.160 -10.509 0.879 1.00 0.00 H new ATOM 1270 N PHE A 78 4.154 -5.084 -2.831 1.00 0.00 N ATOM 1271 CA PHE A 78 5.221 -5.549 -3.704 1.00 0.00 C ATOM 1272 C PHE A 78 5.997 -4.364 -4.277 1.00 0.00 C ATOM 1273 O PHE A 78 7.220 -4.353 -4.222 1.00 0.00 O ATOM 1274 CB PHE A 78 4.696 -6.458 -4.823 1.00 0.00 C ATOM 1275 CG PHE A 78 4.406 -7.894 -4.422 1.00 0.00 C ATOM 1276 CD1 PHE A 78 5.438 -8.684 -3.881 1.00 0.00 C ATOM 1277 CD2 PHE A 78 3.229 -8.522 -4.870 1.00 0.00 C ATOM 1278 CE1 PHE A 78 5.259 -10.068 -3.725 1.00 0.00 C ATOM 1279 CE2 PHE A 78 3.062 -9.911 -4.728 1.00 0.00 C ATOM 1280 CZ PHE A 78 4.068 -10.685 -4.127 1.00 0.00 C ATOM 0 H PHE A 78 3.212 -5.330 -3.135 1.00 0.00 H new ATOM 0 HA PHE A 78 5.900 -6.151 -3.100 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.782 -6.020 -5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.426 -6.466 -5.632 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.370 -8.225 -3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.448 -7.932 -5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.049 -10.663 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.158 -10.384 -5.082 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.925 -11.745 -3.976 1.00 0.00 H new ATOM 1290 N ALA A 79 5.307 -3.358 -4.813 1.00 0.00 N ATOM 1291 CA ALA A 79 5.934 -2.164 -5.370 1.00 0.00 C ATOM 1292 C ALA A 79 6.808 -1.459 -4.339 1.00 0.00 C ATOM 1293 O ALA A 79 7.741 -0.755 -4.724 1.00 0.00 O ATOM 1294 CB ALA A 79 4.891 -1.191 -5.927 1.00 0.00 C ATOM 0 H ALA A 79 4.289 -3.350 -4.872 1.00 0.00 H new ATOM 0 HA ALA A 79 6.570 -2.495 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.393 -0.313 -6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.321 -1.681 -6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.216 -0.885 -5.128 1.00 0.00 H new ATOM 1300 N ASN A 80 6.511 -1.614 -3.045 1.00 0.00 N ATOM 1301 CA ASN A 80 7.504 -1.317 -2.027 1.00 0.00 C ATOM 1302 C ASN A 80 8.545 -2.428 -2.000 1.00 0.00 C ATOM 1303 O ASN A 80 9.631 -2.239 -2.513 1.00 0.00 O ATOM 1304 CB ASN A 80 6.897 -1.113 -0.637 1.00 0.00 C ATOM 1305 CG ASN A 80 8.028 -1.037 0.395 1.00 0.00 C ATOM 1306 OD1 ASN A 80 9.073 -0.455 0.134 1.00 0.00 O ATOM 1307 ND2 ASN A 80 7.850 -1.625 1.572 1.00 0.00 N ATOM 0 H ASN A 80 5.611 -1.936 -2.690 1.00 0.00 H new ATOM 0 HA ASN A 80 7.973 -0.370 -2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.305 -0.198 -0.615 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.222 -1.935 -0.396 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.590 -1.596 2.274 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.974 -2.106 1.774 1.00 0.00 H new ATOM 1314 N ARG A 81 8.223 -3.568 -1.398 1.00 0.00 N ATOM 1315 CA ARG A 81 9.113 -4.656 -1.024 1.00 0.00 C ATOM 1316 C ARG A 81 10.175 -4.955 -2.085 1.00 0.00 C ATOM 1317 O ARG A 81 11.371 -4.996 -1.809 1.00 0.00 O ATOM 1318 CB ARG A 81 8.247 -5.893 -0.712 1.00 0.00 C ATOM 1319 CG ARG A 81 8.929 -6.934 0.181 1.00 0.00 C ATOM 1320 CD ARG A 81 9.334 -6.302 1.512 1.00 0.00 C ATOM 1321 NE ARG A 81 9.551 -7.290 2.574 1.00 0.00 N ATOM 1322 CZ ARG A 81 9.896 -6.925 3.816 1.00 0.00 C ATOM 1323 NH1 ARG A 81 10.154 -5.641 4.076 1.00 0.00 N ATOM 1324 NH2 ARG A 81 9.955 -7.826 4.793 1.00 0.00 N ATOM 0 H ARG A 81 7.257 -3.769 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 81 9.680 -4.361 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.327 -5.565 -0.229 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.962 -6.368 -1.651 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.253 -7.771 0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.809 -7.335 -0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.247 -5.723 1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.559 -5.603 1.827 1.00 0.00 H new ATOM 0 HE ARG A 81 9.436 -8.281 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.088 -4.947 3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.417 -5.354 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.737 -8.803 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.219 -7.539 5.736 1.00 0.00 H new ATOM 1338 N ARG A 82 9.750 -5.155 -3.326 1.00 0.00 N ATOM 1339 CA ARG A 82 10.664 -5.494 -4.401 1.00 0.00 C ATOM 1340 C ARG A 82 11.635 -4.336 -4.676 1.00 0.00 C ATOM 1341 O ARG A 82 12.806 -4.546 -4.994 1.00 0.00 O ATOM 1342 CB ARG A 82 9.852 -5.982 -5.610 1.00 0.00 C ATOM 1343 CG ARG A 82 9.208 -4.896 -6.485 1.00 0.00 C ATOM 1344 CD ARG A 82 10.140 -4.547 -7.650 1.00 0.00 C ATOM 1345 NE ARG A 82 9.430 -3.927 -8.775 1.00 0.00 N ATOM 1346 CZ ARG A 82 10.057 -3.434 -9.853 1.00 0.00 C ATOM 1347 NH1 ARG A 82 11.389 -3.478 -9.926 1.00 0.00 N ATOM 1348 NH2 ARG A 82 9.319 -2.895 -10.819 1.00 0.00 N ATOM 0 H ARG A 82 8.773 -5.087 -3.610 1.00 0.00 H new ATOM 0 HA ARG A 82 11.315 -6.323 -4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.506 -6.584 -6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.063 -6.641 -5.248 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.249 -5.245 -6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.008 -4.006 -5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.917 -3.869 -7.298 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.639 -5.453 -7.995 1.00 0.00 H new ATOM 0 HE ARG A 82 8.412 -3.868 -8.735 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.928 -3.886 -9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.868 -3.103 -10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.304 -2.864 -10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.768 -2.512 -11.651 1.00 0.00 H new ATOM 1362 N LYS A 83 11.163 -3.099 -4.520 1.00 0.00 N ATOM 1363 CA LYS A 83 11.987 -1.905 -4.571 1.00 0.00 C ATOM 1364 C LYS A 83 12.804 -1.737 -3.290 1.00 0.00 C ATOM 1365 O LYS A 83 13.917 -1.234 -3.361 1.00 0.00 O ATOM 1366 CB LYS A 83 11.118 -0.667 -4.858 1.00 0.00 C ATOM 1367 CG LYS A 83 11.946 0.582 -5.206 1.00 0.00 C ATOM 1368 CD LYS A 83 11.935 0.904 -6.703 1.00 0.00 C ATOM 1369 CE LYS A 83 10.610 1.552 -7.136 1.00 0.00 C ATOM 1370 NZ LYS A 83 10.669 2.084 -8.512 1.00 0.00 N ATOM 0 H LYS A 83 10.177 -2.902 -4.352 1.00 0.00 H new ATOM 0 HA LYS A 83 12.699 -2.014 -5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.441 -0.889 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.499 -0.454 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.556 1.436 -4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.975 0.433 -4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.762 1.575 -6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.096 -0.011 -7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.809 0.816 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.361 2.359 -6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.753 2.511 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.415 2.806 -8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.880 1.311 -9.174 1.00 0.00 H new ATOM 1384 N GLU A 84 12.297 -2.157 -2.135 1.00 0.00 N ATOM 1385 CA GLU A 84 13.055 -2.213 -0.896 1.00 0.00 C ATOM 1386 C GLU A 84 14.323 -3.028 -1.171 1.00 0.00 C ATOM 1387 O GLU A 84 15.427 -2.636 -0.791 1.00 0.00 O ATOM 1388 CB GLU A 84 12.173 -2.833 0.205 1.00 0.00 C ATOM 1389 CG GLU A 84 12.569 -2.412 1.620 1.00 0.00 C ATOM 1390 CD GLU A 84 11.803 -3.204 2.671 1.00 0.00 C ATOM 1391 OE1 GLU A 84 10.624 -3.542 2.432 1.00 0.00 O ATOM 1392 OE2 GLU A 84 12.419 -3.498 3.717 1.00 0.00 O ATOM 0 H GLU A 84 11.332 -2.472 -2.035 1.00 0.00 H new ATOM 0 HA GLU A 84 13.349 -1.224 -0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.135 -2.551 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.225 -3.919 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.640 -2.561 1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.375 -1.347 1.752 1.00 0.00 H new ATOM 1399 N GLU A 85 14.160 -4.137 -1.899 1.00 0.00 N ATOM 1400 CA GLU A 85 15.277 -4.972 -2.293 1.00 0.00 C ATOM 1401 C GLU A 85 16.159 -4.194 -3.270 1.00 0.00 C ATOM 1402 O GLU A 85 17.339 -4.010 -3.009 1.00 0.00 O ATOM 1403 CB GLU A 85 14.780 -6.301 -2.875 1.00 0.00 C ATOM 1404 CG GLU A 85 15.953 -7.253 -3.142 1.00 0.00 C ATOM 1405 CD GLU A 85 15.521 -8.447 -3.957 1.00 0.00 C ATOM 1406 OE1 GLU A 85 14.926 -8.216 -5.033 1.00 0.00 O ATOM 1407 OE2 GLU A 85 15.754 -9.594 -3.520 1.00 0.00 O ATOM 0 H GLU A 85 13.253 -4.471 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 85 15.881 -5.227 -1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.079 -6.767 -2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.237 -6.117 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 85 16.744 -6.719 -3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 85 16.372 -7.590 -2.194 1.00 0.00 H new ATOM 1414 N ALA A 86 15.609 -3.727 -4.395 1.00 0.00 N ATOM 1415 CA ALA A 86 16.401 -3.038 -5.415 1.00 0.00 C ATOM 1416 C ALA A 86 17.237 -1.906 -4.806 1.00 0.00 C ATOM 1417 O ALA A 86 18.406 -1.726 -5.141 1.00 0.00 O ATOM 1418 CB ALA A 86 15.487 -2.484 -6.510 1.00 0.00 C ATOM 0 H ALA A 86 14.618 -3.814 -4.621 1.00 0.00 H new ATOM 0 HA ALA A 86 17.086 -3.765 -5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.088 -1.974 -7.262 1.00 0.00 H new ATOM 0 HB2 ALA A 86 14.940 -3.303 -6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.780 -1.779 -6.072 1.00 0.00 H new ATOM 1424 N PHE A 87 16.607 -1.150 -3.910 1.00 0.00 N ATOM 1425 CA PHE A 87 17.205 -0.094 -3.120 1.00 0.00 C ATOM 1426 C PHE A 87 18.407 -0.668 -2.371 1.00 0.00 C ATOM 1427 O PHE A 87 19.555 -0.341 -2.674 1.00 0.00 O ATOM 1428 CB PHE A 87 16.137 0.506 -2.193 1.00 0.00 C ATOM 1429 CG PHE A 87 16.609 1.653 -1.328 1.00 0.00 C ATOM 1430 CD1 PHE A 87 16.715 2.950 -1.864 1.00 0.00 C ATOM 1431 CD2 PHE A 87 16.899 1.430 0.030 1.00 0.00 C ATOM 1432 CE1 PHE A 87 17.099 4.021 -1.040 1.00 0.00 C ATOM 1433 CE2 PHE A 87 17.300 2.498 0.847 1.00 0.00 C ATOM 1434 CZ PHE A 87 17.392 3.795 0.316 1.00 0.00 C ATOM 0 H PHE A 87 15.614 -1.269 -3.710 1.00 0.00 H new ATOM 0 HA PHE A 87 17.572 0.720 -3.745 1.00 0.00 H new ATOM 0 HB2 PHE A 87 15.302 0.851 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.755 -0.283 -1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 87 16.501 3.122 -2.909 1.00 0.00 H new ATOM 0 HD2 PHE A 87 16.813 0.436 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 87 17.169 5.018 -1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 87 17.538 2.322 1.886 1.00 0.00 H new ATOM 0 HZ PHE A 87 17.688 4.618 0.949 1.00 0.00 H new ATOM 1444 N ARG A 88 18.132 -1.575 -1.432 1.00 0.00 N ATOM 1445 CA ARG A 88 19.129 -2.255 -0.618 1.00 0.00 C ATOM 1446 C ARG A 88 20.293 -2.793 -1.455 1.00 0.00 C ATOM 1447 O ARG A 88 21.433 -2.764 -0.999 1.00 0.00 O ATOM 1448 CB ARG A 88 18.434 -3.397 0.149 1.00 0.00 C ATOM 1449 CG ARG A 88 19.348 -4.510 0.686 1.00 0.00 C ATOM 1450 CD ARG A 88 20.121 -4.149 1.957 1.00 0.00 C ATOM 1451 NE ARG A 88 20.767 -2.826 1.922 1.00 0.00 N ATOM 1452 CZ ARG A 88 21.087 -2.138 3.033 1.00 0.00 C ATOM 1453 NH1 ARG A 88 21.046 -2.750 4.217 1.00 0.00 N ATOM 1454 NH2 ARG A 88 21.425 -0.850 2.965 1.00 0.00 N ATOM 0 H ARG A 88 17.178 -1.862 -1.214 1.00 0.00 H new ATOM 0 HA ARG A 88 19.560 -1.537 0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 88 17.891 -2.964 0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.693 -3.850 -0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 88 18.742 -5.394 0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 88 20.062 -4.781 -0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 88 19.437 -4.184 2.805 1.00 0.00 H new ATOM 0 HD3 ARG A 88 20.884 -4.908 2.131 1.00 0.00 H new ATOM 0 HE ARG A 88 20.981 -2.413 1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 88 20.774 -3.731 4.275 1.00 0.00 H new ATOM 0 HH12 ARG A 88 21.287 -2.237 5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 88 21.443 -0.374 2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 88 21.665 -0.340 3.815 1.00 0.00 H new ATOM 1468 N HIS A 89 19.979 -3.346 -2.623 1.00 0.00 N ATOM 1469 CA HIS A 89 20.855 -4.148 -3.453 1.00 0.00 C ATOM 1470 C HIS A 89 21.974 -3.287 -4.031 1.00 0.00 C ATOM 1471 O HIS A 89 23.095 -3.755 -4.210 1.00 0.00 O ATOM 1472 CB HIS A 89 19.992 -4.797 -4.542 1.00 0.00 C ATOM 1473 CG HIS A 89 20.693 -5.667 -5.552 1.00 0.00 C ATOM 1474 ND1 HIS A 89 21.905 -5.411 -6.156 1.00 0.00 N ATOM 1475 CD2 HIS A 89 20.069 -6.641 -6.284 1.00 0.00 C ATOM 1476 CE1 HIS A 89 21.994 -6.195 -7.240 1.00 0.00 C ATOM 1477 NE2 HIS A 89 20.890 -6.955 -7.371 1.00 0.00 N ATOM 0 H HIS A 89 19.052 -3.237 -3.034 1.00 0.00 H new ATOM 0 HA HIS A 89 21.343 -4.930 -2.872 1.00 0.00 H new ATOM 0 HB2 HIS A 89 19.227 -5.399 -4.052 1.00 0.00 H new ATOM 0 HB3 HIS A 89 19.476 -4.003 -5.081 1.00 0.00 H new ATOM 0 HD1 HIS A 89 22.608 -4.745 -5.836 1.00 0.00 H new ATOM 0 HD2 HIS A 89 19.111 -7.088 -6.061 1.00 0.00 H new ATOM 0 HE1 HIS A 89 22.836 -6.214 -7.916 1.00 0.00 H new ATOM 1485 N LYS A 90 21.661 -2.056 -4.425 1.00 0.00 N ATOM 1486 CA LYS A 90 22.657 -1.156 -5.000 1.00 0.00 C ATOM 1487 C LYS A 90 23.211 -0.223 -3.918 1.00 0.00 C ATOM 1488 O LYS A 90 24.333 0.271 -4.031 1.00 0.00 O ATOM 1489 CB LYS A 90 22.050 -0.425 -6.199 1.00 0.00 C ATOM 1490 CG LYS A 90 21.787 -1.393 -7.363 1.00 0.00 C ATOM 1491 CD LYS A 90 20.947 -0.742 -8.471 1.00 0.00 C ATOM 1492 CE LYS A 90 21.668 0.356 -9.273 1.00 0.00 C ATOM 1493 NZ LYS A 90 22.751 -0.169 -10.127 1.00 0.00 N ATOM 0 H LYS A 90 20.724 -1.658 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 90 23.512 -1.717 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 90 21.117 0.054 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 90 22.725 0.366 -6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 90 22.737 -1.729 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 90 21.272 -2.278 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 90 20.619 -1.519 -9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 90 20.050 -0.314 -8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 90 20.942 0.878 -9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 90 22.082 1.090 -8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 23.199 0.616 -10.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 23.461 -0.644 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 22.357 -0.849 -10.808 1.00 0.00 H new ATOM 1507 N LEU A 91 22.446 0.028 -2.860 1.00 0.00 N ATOM 1508 CA LEU A 91 22.946 0.525 -1.614 1.00 0.00 C ATOM 1509 C LEU A 91 23.620 -0.628 -0.856 1.00 0.00 C ATOM 1510 O LEU A 91 23.987 -1.635 -1.462 1.00 0.00 O ATOM 1511 CB LEU A 91 21.834 1.278 -0.872 1.00 0.00 C ATOM 1512 CG LEU A 91 21.618 2.710 -1.405 1.00 0.00 C ATOM 1513 CD1 LEU A 91 21.834 2.937 -2.907 1.00 0.00 C ATOM 1514 CD2 LEU A 91 20.207 3.167 -1.046 1.00 0.00 C ATOM 0 H LEU A 91 21.436 -0.118 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 91 23.728 1.273 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 91 20.903 0.719 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 91 22.079 1.324 0.189 1.00 0.00 H new ATOM 0 HG LEU A 91 22.401 3.294 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 91 21.650 3.984 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 91 22.860 2.680 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 91 21.146 2.309 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 91 20.046 4.178 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 91 19.480 2.493 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 91 20.086 3.156 0.037 1.00 0.00 H new ATOM 1526 N ALA A 92 23.855 -0.463 0.447 1.00 0.00 N ATOM 1527 CA ALA A 92 24.845 -1.243 1.176 1.00 0.00 C ATOM 1528 C ALA A 92 26.211 -1.094 0.500 1.00 0.00 C ATOM 1529 O ALA A 92 26.969 -2.063 0.419 1.00 0.00 O ATOM 1530 CB ALA A 92 24.418 -2.702 1.338 1.00 0.00 C ATOM 0 H ALA A 92 23.361 0.218 1.024 1.00 0.00 H new ATOM 0 HA ALA A 92 24.927 -0.853 2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 92 25.186 -3.247 1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 92 23.478 -2.747 1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 92 24.286 -3.154 0.355 1.00 0.00 H new ATOM 1536 N MET A 93 26.481 0.127 0.021 1.00 0.00 N ATOM 1537 CA MET A 93 27.711 0.643 -0.591 1.00 0.00 C ATOM 1538 C MET A 93 27.479 1.956 -1.366 1.00 0.00 C ATOM 1539 O MET A 93 28.353 2.405 -2.115 1.00 0.00 O ATOM 1540 CB MET A 93 28.351 -0.392 -1.530 1.00 0.00 C ATOM 1541 CG MET A 93 27.390 -0.757 -2.671 1.00 0.00 C ATOM 1542 SD MET A 93 27.947 -2.013 -3.842 1.00 0.00 S ATOM 1543 CE MET A 93 27.858 -3.482 -2.795 1.00 0.00 C ATOM 0 H MET A 93 25.767 0.854 0.057 1.00 0.00 H new ATOM 0 HA MET A 93 28.390 0.849 0.236 1.00 0.00 H new ATOM 0 HB2 MET A 93 29.278 0.007 -1.942 1.00 0.00 H new ATOM 0 HB3 MET A 93 28.613 -1.288 -0.967 1.00 0.00 H new ATOM 0 HG2 MET A 93 26.454 -1.097 -2.229 1.00 0.00 H new ATOM 0 HG3 MET A 93 27.167 0.152 -3.230 1.00 0.00 H new ATOM 0 HE1 MET A 93 28.085 -4.367 -3.390 1.00 0.00 H new ATOM 0 HE2 MET A 93 28.581 -3.395 -1.984 1.00 0.00 H new ATOM 0 HE3 MET A 93 26.855 -3.572 -2.379 1.00 0.00 H new ATOM 1553 N ASP A 94 26.309 2.573 -1.174 1.00 0.00 N ATOM 1554 CA ASP A 94 25.837 3.804 -1.793 1.00 0.00 C ATOM 1555 C ASP A 94 26.337 3.941 -3.231 1.00 0.00 C ATOM 1556 O ASP A 94 27.014 4.911 -3.555 1.00 0.00 O ATOM 1557 CB ASP A 94 26.088 5.043 -0.904 1.00 0.00 C ATOM 1558 CG ASP A 94 25.151 5.126 0.283 1.00 0.00 C ATOM 1559 OD1 ASP A 94 23.987 4.707 0.151 1.00 0.00 O ATOM 1560 OD2 ASP A 94 25.562 5.609 1.362 1.00 0.00 O ATOM 0 H ASP A 94 25.617 2.190 -0.530 1.00 0.00 H new ATOM 0 HA ASP A 94 24.752 3.742 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 94 27.117 5.022 -0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 94 25.979 5.944 -1.508 1.00 0.00 H new ATOM 1565 N THR A 95 26.002 2.988 -4.103 1.00 0.00 N ATOM 1566 CA THR A 95 26.507 3.010 -5.475 1.00 0.00 C ATOM 1567 C THR A 95 25.997 4.252 -6.211 1.00 0.00 C ATOM 1568 O THR A 95 26.749 4.904 -6.934 1.00 0.00 O ATOM 1569 CB THR A 95 26.087 1.729 -6.214 1.00 0.00 C ATOM 1570 OG1 THR A 95 26.557 0.593 -5.523 1.00 0.00 O ATOM 1571 CG2 THR A 95 26.637 1.601 -7.637 1.00 0.00 C ATOM 0 H THR A 95 25.391 2.201 -3.886 1.00 0.00 H new ATOM 0 HA THR A 95 27.596 3.052 -5.449 1.00 0.00 H new ATOM 0 HB THR A 95 25.000 1.792 -6.260 1.00 0.00 H new ATOM 0 HG1 THR A 95 25.850 0.251 -4.937 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.289 0.668 -8.079 1.00 0.00 H new ATOM 0 HG22 THR A 95 26.288 2.440 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 95 27.727 1.604 -7.608 1.00 0.00 H new ATOM 1579 N TYR A 96 24.712 4.576 -6.045 1.00 0.00 N ATOM 1580 CA TYR A 96 24.077 5.692 -6.719 1.00 0.00 C ATOM 1581 C TYR A 96 22.917 6.202 -5.871 1.00 0.00 C ATOM 1582 O TYR A 96 22.499 5.558 -4.914 1.00 0.00 O ATOM 1583 CB TYR A 96 23.583 5.255 -8.109 1.00 0.00 C ATOM 1584 CG TYR A 96 24.660 5.195 -9.174 1.00 0.00 C ATOM 1585 CD1 TYR A 96 25.319 6.378 -9.553 1.00 0.00 C ATOM 1586 CD2 TYR A 96 25.012 3.976 -9.785 1.00 0.00 C ATOM 1587 CE1 TYR A 96 26.375 6.328 -10.474 1.00 0.00 C ATOM 1588 CE2 TYR A 96 26.062 3.935 -10.721 1.00 0.00 C ATOM 1589 CZ TYR A 96 26.757 5.109 -11.049 1.00 0.00 C ATOM 1590 OH TYR A 96 27.698 5.127 -12.034 1.00 0.00 O ATOM 0 H TYR A 96 24.083 4.060 -5.430 1.00 0.00 H new ATOM 0 HA TYR A 96 24.799 6.498 -6.851 1.00 0.00 H new ATOM 0 HB2 TYR A 96 23.121 4.271 -8.023 1.00 0.00 H new ATOM 0 HB3 TYR A 96 22.805 5.945 -8.437 1.00 0.00 H new ATOM 0 HD1 TYR A 96 25.012 7.325 -9.135 1.00 0.00 H new ATOM 0 HD2 TYR A 96 24.476 3.072 -9.535 1.00 0.00 H new ATOM 0 HE1 TYR A 96 26.897 7.235 -10.742 1.00 0.00 H new ATOM 0 HE2 TYR A 96 26.333 2.999 -11.187 1.00 0.00 H new ATOM 0 HH TYR A 96 27.868 4.212 -12.341 1.00 0.00 H new ATOM 1600 N LYS A 97 22.380 7.346 -6.288 1.00 0.00 N ATOM 1601 CA LYS A 97 21.292 8.069 -5.655 1.00 0.00 C ATOM 1602 C LYS A 97 20.046 7.212 -5.425 1.00 0.00 C ATOM 1603 O LYS A 97 19.441 7.275 -4.354 1.00 0.00 O ATOM 1604 CB LYS A 97 21.008 9.293 -6.542 1.00 0.00 C ATOM 1605 CG LYS A 97 20.521 8.916 -7.955 1.00 0.00 C ATOM 1606 CD LYS A 97 20.696 10.038 -8.987 1.00 0.00 C ATOM 1607 CE LYS A 97 22.086 10.122 -9.647 1.00 0.00 C ATOM 1608 NZ LYS A 97 23.176 10.584 -8.758 1.00 0.00 N ATOM 0 H LYS A 97 22.717 7.817 -7.128 1.00 0.00 H new ATOM 0 HA LYS A 97 21.583 8.375 -4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 97 20.256 9.917 -6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 97 21.915 9.893 -6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 97 21.065 8.034 -8.294 1.00 0.00 H new ATOM 0 HG3 LYS A 97 19.467 8.641 -7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.949 9.908 -9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 97 20.486 10.991 -8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 97 22.347 9.137 -10.035 1.00 0.00 H new ATOM 0 HE3 LYS A 97 22.025 10.795 -10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 23.983 10.899 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 22.837 11.375 -8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 23.475 9.802 -8.140 1.00 0.00 H new ATOM 1622 N LEU A 98 19.676 6.429 -6.440 1.00 0.00 N ATOM 1623 CA LEU A 98 18.631 5.417 -6.392 1.00 0.00 C ATOM 1624 C LEU A 98 17.365 5.912 -5.693 1.00 0.00 C ATOM 1625 O LEU A 98 16.825 5.259 -4.800 1.00 0.00 O ATOM 1626 CB LEU A 98 19.231 4.167 -5.752 1.00 0.00 C ATOM 1627 CG LEU A 98 18.399 2.884 -5.885 1.00 0.00 C ATOM 1628 CD1 LEU A 98 18.034 2.540 -7.330 1.00 0.00 C ATOM 1629 CD2 LEU A 98 19.268 1.771 -5.319 1.00 0.00 C ATOM 0 H LEU A 98 20.119 6.489 -7.357 1.00 0.00 H new ATOM 0 HA LEU A 98 18.293 5.177 -7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.211 3.990 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 98 19.391 4.365 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 98 17.453 3.014 -5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 98 17.447 1.622 -7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.450 3.353 -7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 98 18.945 2.399 -7.912 1.00 0.00 H new ATOM 0 HD21 LEU A 98 18.733 0.823 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 98 20.193 1.705 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 98 19.501 1.986 -4.276 1.00 0.00 H new ATOM 1641 N ASN A 99 16.881 7.076 -6.113 1.00 0.00 N ATOM 1642 CA ASN A 99 15.590 7.603 -5.712 1.00 0.00 C ATOM 1643 C ASN A 99 14.928 8.047 -7.006 1.00 0.00 C ATOM 1644 O ASN A 99 14.873 7.163 -7.884 1.00 0.00 O ATOM 1645 CB ASN A 99 15.745 8.749 -4.703 1.00 0.00 C ATOM 1646 CG ASN A 99 15.859 8.277 -3.255 1.00 0.00 C ATOM 1647 OD1 ASN A 99 14.927 8.467 -2.474 1.00 0.00 O ATOM 1648 ND2 ASN A 99 16.984 7.701 -2.852 1.00 0.00 N ATOM 1649 OXT ASN A 99 15.081 9.242 -7.341 1.00 0.00 O ATOM 0 H ASN A 99 17.387 7.688 -6.753 1.00 0.00 H new ATOM 0 HA ASN A 99 14.981 6.861 -5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 99 16.632 9.329 -4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.889 9.419 -4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 99 17.087 7.407 -1.881 1.00 0.00 H new ATOM 0 HD22 ASN A 99 17.746 7.552 -3.514 1.00 0.00 H new TER 1656 ASN A 99