USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 726 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 5 SER OG : rot 81:sc= 0.0337 USER MOD Set 1.2: A 18 GLN : amide:sc= 0.322 X(o=1.7,f=1.3) USER MOD Set 1.3: A 75 ASN : amide:sc= 1.37 K(o=1.7,f=-6.1!) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -163:sc= -0.0651 (180deg=-0.362) USER MOD Single : A 9 SER OG : rot 90:sc= -4.24! USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= 1.22 (180deg=0.669) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -168:sc= -0.639 (180deg=-1.04) USER MOD Single : A 22 SER OG : rot -41:sc= 0.0608 USER MOD Single : A 23 THR OG1 : rot -127:sc= -0.112 USER MOD Single : A 24 MET CE :methyl 176:sc= -0.971 (180deg=-1.01) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 63:sc= -1.03! USER MOD Single : A 31 MET CE :methyl 158:sc= -0.177 (180deg=-0.712) USER MOD Single : A 45 ASN : amide:sc= -0.0522 X(o=-0.052,f=-0.052) USER MOD Single : A 52 SER OG : rot 98:sc= 1.16 USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0297 (180deg=-0.225) USER MOD Single : A 58 LYS NZ :NH3+ 135:sc= -0.147 (180deg=-0.604) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 80:sc= 0.948 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -153:sc= -3.4! (180deg=-6.24!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.16) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 23.051 -2.405 -12.512 1.00 1.00 N ATOM 2 CA GLY A -5 22.025 -1.503 -11.941 1.00 1.00 C ATOM 3 C GLY A -5 21.280 -2.152 -10.794 1.00 1.00 C ATOM 4 O GLY A -5 20.723 -3.240 -10.943 1.00 1.00 O ATOM 0 H1 GLY A -5 23.539 -1.924 -13.295 1.00 1.00 H new ATOM 0 H2 GLY A -5 23.741 -2.656 -11.776 1.00 1.00 H new ATOM 0 H3 GLY A -5 22.594 -3.269 -12.867 1.00 1.00 H new ATOM 0 HA2 GLY A -5 22.501 -0.586 -11.593 1.00 1.00 H new ATOM 0 HA3 GLY A -5 21.317 -1.219 -12.720 1.00 1.00 H new ATOM 10 N ILE A -4 21.287 -1.496 -9.645 1.00 1.00 N ATOM 11 CA ILE A -4 20.600 -2.001 -8.467 1.00 1.00 C ATOM 12 C ILE A -4 20.003 -0.846 -7.669 1.00 1.00 C ATOM 13 O ILE A -4 20.679 0.150 -7.394 1.00 1.00 O ATOM 14 CB ILE A -4 21.549 -2.839 -7.571 1.00 1.00 C ATOM 15 CG1 ILE A -4 20.826 -3.302 -6.301 1.00 1.00 C ATOM 16 CG2 ILE A -4 22.807 -2.050 -7.223 1.00 1.00 C ATOM 17 CD1 ILE A -4 21.669 -4.183 -5.405 1.00 1.00 C ATOM 0 H ILE A -4 21.765 -0.606 -9.503 1.00 1.00 H new ATOM 0 HA ILE A -4 19.796 -2.655 -8.804 1.00 1.00 H new ATOM 0 HB ILE A -4 21.852 -3.723 -8.132 1.00 1.00 H new ATOM 0 HG12 ILE A -4 20.506 -2.426 -5.737 1.00 1.00 H new ATOM 0 HG13 ILE A -4 19.925 -3.845 -6.585 1.00 1.00 H new ATOM 0 HG21 ILE A -4 23.456 -2.659 -6.594 1.00 1.00 H new ATOM 0 HG22 ILE A -4 23.335 -1.784 -8.139 1.00 1.00 H new ATOM 0 HG23 ILE A -4 22.530 -1.142 -6.687 1.00 1.00 H new ATOM 0 HD11 ILE A -4 21.089 -4.470 -4.528 1.00 1.00 H new ATOM 0 HD12 ILE A -4 21.968 -5.078 -5.951 1.00 1.00 H new ATOM 0 HD13 ILE A -4 22.558 -3.637 -5.090 1.00 1.00 H new ATOM 29 N ASP A -3 18.732 -0.964 -7.319 1.00 1.00 N ATOM 30 CA ASP A -3 18.052 0.091 -6.584 1.00 1.00 C ATOM 31 C ASP A -3 18.329 -0.050 -5.092 1.00 1.00 C ATOM 32 O ASP A -3 18.572 -1.153 -4.599 1.00 1.00 O ATOM 33 CB ASP A -3 16.541 0.074 -6.857 1.00 1.00 C ATOM 34 CG ASP A -3 15.801 -1.027 -6.121 1.00 1.00 C ATOM 35 OD1 ASP A -3 15.830 -2.188 -6.589 1.00 1.00 O ATOM 36 OD2 ASP A -3 15.166 -0.729 -5.088 1.00 1.00 O ATOM 0 H ASP A -3 18.152 -1.776 -7.531 1.00 1.00 H new ATOM 0 HA ASP A -3 18.439 1.051 -6.926 1.00 1.00 H new ATOM 0 HB2 ASP A -3 16.118 1.037 -6.572 1.00 1.00 H new ATOM 0 HB3 ASP A -3 16.375 -0.042 -7.928 1.00 1.00 H new ATOM 41 N PRO A -2 18.342 1.072 -4.361 1.00 1.00 N ATOM 42 CA PRO A -2 18.611 1.082 -2.927 1.00 1.00 C ATOM 43 C PRO A -2 17.399 0.662 -2.098 1.00 1.00 C ATOM 44 O PRO A -2 16.420 1.406 -1.987 1.00 1.00 O ATOM 45 CB PRO A -2 18.976 2.546 -2.631 1.00 1.00 C ATOM 46 CG PRO A -2 18.980 3.249 -3.952 1.00 1.00 C ATOM 47 CD PRO A -2 18.121 2.428 -4.867 1.00 1.00 C ATOM 0 HA PRO A -2 19.395 0.372 -2.665 1.00 1.00 H new ATOM 0 HB2 PRO A -2 18.253 2.998 -1.951 1.00 1.00 H new ATOM 0 HB3 PRO A -2 19.952 2.615 -2.150 1.00 1.00 H new ATOM 0 HG2 PRO A -2 18.588 4.262 -3.855 1.00 1.00 H new ATOM 0 HG3 PRO A -2 19.994 3.336 -4.344 1.00 1.00 H new ATOM 0 HD2 PRO A -2 17.072 2.718 -4.810 1.00 1.00 H new ATOM 0 HD3 PRO A -2 18.424 2.528 -5.909 1.00 1.00 H new ATOM 55 N PHE A -1 17.460 -0.541 -1.544 1.00 1.00 N ATOM 56 CA PHE A -1 16.436 -1.017 -0.625 1.00 1.00 C ATOM 57 C PHE A -1 17.084 -1.649 0.606 1.00 1.00 C ATOM 58 O PHE A -1 16.577 -1.516 1.719 1.00 1.00 O ATOM 59 CB PHE A -1 15.475 -2.004 -1.316 1.00 1.00 C ATOM 60 CG PHE A -1 16.139 -3.190 -1.969 1.00 1.00 C ATOM 61 CD1 PHE A -1 16.379 -4.352 -1.255 1.00 1.00 C ATOM 62 CD2 PHE A -1 16.511 -3.143 -3.302 1.00 1.00 C ATOM 63 CE1 PHE A -1 16.980 -5.441 -1.855 1.00 1.00 C ATOM 64 CE2 PHE A -1 17.113 -4.229 -3.909 1.00 1.00 C ATOM 65 CZ PHE A -1 17.347 -5.380 -3.183 1.00 1.00 C ATOM 0 H PHE A -1 18.212 -1.208 -1.716 1.00 1.00 H new ATOM 0 HA PHE A -1 15.843 -0.161 -0.303 1.00 1.00 H new ATOM 0 HB2 PHE A -1 14.760 -2.368 -0.578 1.00 1.00 H new ATOM 0 HB3 PHE A -1 14.906 -1.464 -2.072 1.00 1.00 H new ATOM 0 HD1 PHE A -1 16.092 -4.407 -0.215 1.00 1.00 H new ATOM 0 HD2 PHE A -1 16.328 -2.246 -3.875 1.00 1.00 H new ATOM 0 HE1 PHE A -1 17.162 -6.340 -1.285 1.00 1.00 H new ATOM 0 HE2 PHE A -1 17.400 -4.177 -4.949 1.00 1.00 H new ATOM 0 HZ PHE A -1 17.817 -6.231 -3.654 1.00 1.00 H new ATOM 75 N THR A 0 18.221 -2.317 0.385 1.00 1.00 N ATOM 76 CA THR A 0 19.015 -2.929 1.454 1.00 1.00 C ATOM 77 C THR A 0 18.288 -4.104 2.124 1.00 1.00 C ATOM 78 O THR A 0 18.653 -5.262 1.915 1.00 1.00 O ATOM 79 CB THR A 0 19.424 -1.887 2.513 1.00 1.00 C ATOM 80 OG1 THR A 0 20.036 -0.762 1.870 1.00 1.00 O ATOM 81 CG2 THR A 0 20.401 -2.485 3.514 1.00 1.00 C ATOM 0 H THR A 0 18.618 -2.449 -0.545 1.00 1.00 H new ATOM 0 HA THR A 0 19.915 -3.323 0.981 1.00 1.00 H new ATOM 0 HB THR A 0 18.528 -1.570 3.046 1.00 1.00 H new ATOM 0 HG1 THR A 0 20.294 -0.100 2.545 1.00 1.00 H new ATOM 0 HG21 THR A 0 20.675 -1.730 4.251 1.00 1.00 H new ATOM 0 HG22 THR A 0 19.934 -3.331 4.018 1.00 1.00 H new ATOM 0 HG23 THR A 0 21.296 -2.823 2.992 1.00 1.00 H new ATOM 89 N MET A 1 17.270 -3.807 2.924 1.00 1.00 N ATOM 90 CA MET A 1 16.508 -4.848 3.606 1.00 1.00 C ATOM 91 C MET A 1 15.492 -5.462 2.655 1.00 1.00 C ATOM 92 O MET A 1 15.310 -4.979 1.538 1.00 1.00 O ATOM 93 CB MET A 1 15.783 -4.285 4.833 1.00 1.00 C ATOM 94 CG MET A 1 16.702 -3.822 5.952 1.00 1.00 C ATOM 95 SD MET A 1 17.752 -5.142 6.591 1.00 1.00 S ATOM 96 CE MET A 1 18.396 -4.369 8.075 1.00 1.00 C ATOM 0 H MET A 1 16.953 -2.857 3.116 1.00 1.00 H new ATOM 0 HA MET A 1 17.209 -5.615 3.936 1.00 1.00 H new ATOM 0 HB2 MET A 1 15.163 -3.446 4.519 1.00 1.00 H new ATOM 0 HB3 MET A 1 15.111 -5.049 5.224 1.00 1.00 H new ATOM 0 HG2 MET A 1 17.330 -3.010 5.586 1.00 1.00 H new ATOM 0 HG3 MET A 1 16.100 -3.418 6.766 1.00 1.00 H new ATOM 0 HE1 MET A 1 19.065 -5.062 8.585 1.00 1.00 H new ATOM 0 HE2 MET A 1 18.944 -3.466 7.806 1.00 1.00 H new ATOM 0 HE3 MET A 1 17.570 -4.109 8.737 1.00 1.00 H new ATOM 106 N VAL A 2 14.840 -6.530 3.096 1.00 1.00 N ATOM 107 CA VAL A 2 13.787 -7.153 2.310 1.00 1.00 C ATOM 108 C VAL A 2 12.657 -6.153 2.058 1.00 1.00 C ATOM 109 O VAL A 2 12.051 -5.625 2.990 1.00 1.00 O ATOM 110 CB VAL A 2 13.240 -8.435 2.994 1.00 1.00 C ATOM 111 CG1 VAL A 2 12.752 -8.149 4.409 1.00 1.00 C ATOM 112 CG2 VAL A 2 12.133 -9.061 2.159 1.00 1.00 C ATOM 0 H VAL A 2 15.022 -6.981 3.992 1.00 1.00 H new ATOM 0 HA VAL A 2 14.217 -7.453 1.354 1.00 1.00 H new ATOM 0 HB VAL A 2 14.062 -9.147 3.066 1.00 1.00 H new ATOM 0 HG11 VAL A 2 12.376 -9.069 4.857 1.00 1.00 H new ATOM 0 HG12 VAL A 2 13.578 -7.765 5.008 1.00 1.00 H new ATOM 0 HG13 VAL A 2 11.953 -7.409 4.376 1.00 1.00 H new ATOM 0 HG21 VAL A 2 11.764 -9.958 2.657 1.00 1.00 H new ATOM 0 HG22 VAL A 2 11.316 -8.348 2.044 1.00 1.00 H new ATOM 0 HG23 VAL A 2 12.524 -9.326 1.177 1.00 1.00 H new ATOM 122 N ALA A 3 12.406 -5.869 0.791 1.00 1.00 N ATOM 123 CA ALA A 3 11.411 -4.881 0.422 1.00 1.00 C ATOM 124 C ALA A 3 10.302 -5.506 -0.404 1.00 1.00 C ATOM 125 O ALA A 3 10.552 -6.343 -1.272 1.00 1.00 O ATOM 126 CB ALA A 3 12.059 -3.734 -0.336 1.00 1.00 C ATOM 0 H ALA A 3 12.879 -6.310 0.002 1.00 1.00 H new ATOM 0 HA ALA A 3 10.968 -4.488 1.337 1.00 1.00 H new ATOM 0 HB1 ALA A 3 11.299 -3.001 -0.606 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.812 -3.261 0.294 1.00 1.00 H new ATOM 0 HB3 ALA A 3 12.531 -4.117 -1.241 1.00 1.00 H new ATOM 132 N LEU A 4 9.079 -5.094 -0.125 1.00 1.00 N ATOM 133 CA LEU A 4 7.916 -5.596 -0.828 1.00 1.00 C ATOM 134 C LEU A 4 7.521 -4.635 -1.941 1.00 1.00 C ATOM 135 O LEU A 4 7.045 -3.530 -1.679 1.00 1.00 O ATOM 136 CB LEU A 4 6.747 -5.773 0.142 1.00 1.00 C ATOM 137 CG LEU A 4 7.009 -6.702 1.327 1.00 1.00 C ATOM 138 CD1 LEU A 4 5.786 -6.763 2.227 1.00 1.00 C ATOM 139 CD2 LEU A 4 7.385 -8.096 0.847 1.00 1.00 C ATOM 0 H LEU A 4 8.866 -4.403 0.594 1.00 1.00 H new ATOM 0 HA LEU A 4 8.164 -6.564 -1.264 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.465 -4.793 0.527 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.891 -6.155 -0.414 1.00 1.00 H new ATOM 0 HG LEU A 4 7.846 -6.302 1.899 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.985 -7.428 3.067 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.559 -5.764 2.600 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.935 -7.140 1.660 1.00 1.00 H new ATOM 0 HD21 LEU A 4 7.567 -8.740 1.707 1.00 1.00 H new ATOM 0 HD22 LEU A 4 6.570 -8.508 0.251 1.00 1.00 H new ATOM 0 HD23 LEU A 4 8.287 -8.040 0.238 1.00 1.00 H new ATOM 151 N SER A 5 7.744 -5.046 -3.176 1.00 1.00 N ATOM 152 CA SER A 5 7.361 -4.248 -4.325 1.00 1.00 C ATOM 153 C SER A 5 5.897 -4.481 -4.667 1.00 1.00 C ATOM 154 O SER A 5 5.541 -5.515 -5.231 1.00 1.00 O ATOM 155 CB SER A 5 8.236 -4.608 -5.525 1.00 1.00 C ATOM 156 OG SER A 5 9.613 -4.488 -5.206 1.00 1.00 O ATOM 0 H SER A 5 8.191 -5.933 -3.409 1.00 1.00 H new ATOM 0 HA SER A 5 7.502 -3.195 -4.081 1.00 1.00 H new ATOM 0 HB2 SER A 5 8.021 -5.628 -5.843 1.00 1.00 H new ATOM 0 HB3 SER A 5 7.995 -3.955 -6.364 1.00 1.00 H new ATOM 0 HG SER A 5 9.909 -5.291 -4.728 1.00 1.00 H new ATOM 162 N LEU A 6 5.046 -3.536 -4.314 1.00 1.00 N ATOM 163 CA LEU A 6 3.633 -3.655 -4.617 1.00 1.00 C ATOM 164 C LEU A 6 3.215 -2.627 -5.651 1.00 1.00 C ATOM 165 O LEU A 6 3.827 -1.564 -5.790 1.00 1.00 O ATOM 166 CB LEU A 6 2.756 -3.502 -3.368 1.00 1.00 C ATOM 167 CG LEU A 6 2.723 -4.700 -2.412 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.983 -4.762 -1.571 1.00 1.00 C ATOM 169 CD2 LEU A 6 1.492 -4.631 -1.525 1.00 1.00 C ATOM 0 H LEU A 6 5.307 -2.682 -3.820 1.00 1.00 H new ATOM 0 HA LEU A 6 3.485 -4.659 -5.016 1.00 1.00 H new ATOM 0 HB2 LEU A 6 3.101 -2.630 -2.812 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.736 -3.292 -3.690 1.00 1.00 H new ATOM 0 HG LEU A 6 2.674 -5.611 -3.009 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.932 -5.621 -0.902 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.851 -4.860 -2.223 1.00 1.00 H new ATOM 0 HD13 LEU A 6 4.073 -3.849 -0.982 1.00 1.00 H new ATOM 0 HD21 LEU A 6 1.481 -5.488 -0.851 1.00 1.00 H new ATOM 0 HD22 LEU A 6 1.515 -3.710 -0.942 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.596 -4.645 -2.145 1.00 1.00 H new ATOM 181 N LYS A 7 2.171 -2.967 -6.371 1.00 1.00 N ATOM 182 CA LYS A 7 1.576 -2.085 -7.347 1.00 1.00 C ATOM 183 C LYS A 7 0.469 -1.290 -6.676 1.00 1.00 C ATOM 184 O LYS A 7 -0.599 -1.825 -6.380 1.00 1.00 O ATOM 185 CB LYS A 7 1.015 -2.901 -8.513 1.00 1.00 C ATOM 186 CG LYS A 7 2.053 -3.771 -9.205 1.00 1.00 C ATOM 187 CD LYS A 7 3.065 -2.940 -9.977 1.00 1.00 C ATOM 188 CE LYS A 7 2.429 -2.250 -11.177 1.00 1.00 C ATOM 189 NZ LYS A 7 1.854 -3.227 -12.143 1.00 1.00 N ATOM 0 H LYS A 7 1.707 -3.872 -6.295 1.00 1.00 H new ATOM 0 HA LYS A 7 2.329 -1.401 -7.739 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.208 -3.536 -8.146 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.578 -2.221 -9.244 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.572 -4.377 -8.462 1.00 1.00 H new ATOM 0 HG3 LYS A 7 1.554 -4.460 -9.886 1.00 1.00 H new ATOM 0 HD2 LYS A 7 3.501 -2.191 -9.316 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.880 -3.580 -10.315 1.00 1.00 H new ATOM 0 HE2 LYS A 7 1.645 -1.575 -10.834 1.00 1.00 H new ATOM 0 HE3 LYS A 7 3.177 -1.638 -11.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 1.695 -2.758 -13.058 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 2.515 -4.019 -12.271 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 0.950 -3.587 -11.776 1.00 1.00 H new ATOM 203 N ILE A 8 0.736 -0.027 -6.403 1.00 1.00 N ATOM 204 CA ILE A 8 -0.209 0.799 -5.677 1.00 1.00 C ATOM 205 C ILE A 8 -0.980 1.707 -6.623 1.00 1.00 C ATOM 206 O ILE A 8 -0.466 2.728 -7.082 1.00 1.00 O ATOM 207 CB ILE A 8 0.491 1.652 -4.601 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.314 0.761 -3.664 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.536 2.448 -3.815 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.493 -0.280 -2.931 1.00 1.00 C ATOM 0 H ILE A 8 1.597 0.448 -6.672 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.907 0.123 -5.183 1.00 1.00 H new ATOM 0 HB ILE A 8 1.169 2.349 -5.093 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.088 0.258 -4.244 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.822 1.390 -2.933 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.030 3.047 -3.058 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.083 3.105 -4.492 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.233 1.764 -3.331 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.145 -0.871 -2.288 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.264 0.216 -2.323 1.00 1.00 H new ATOM 0 HD13 ILE A 8 0.006 -0.935 -3.654 1.00 1.00 H new ATOM 222 N SER A 9 -2.207 1.317 -6.918 1.00 1.00 N ATOM 223 CA SER A 9 -3.069 2.069 -7.788 1.00 1.00 C ATOM 224 C SER A 9 -3.698 3.250 -7.053 1.00 1.00 C ATOM 225 O SER A 9 -4.641 3.085 -6.280 1.00 1.00 O ATOM 226 CB SER A 9 -4.141 1.134 -8.329 1.00 1.00 C ATOM 227 OG SER A 9 -3.713 0.485 -9.511 1.00 1.00 O ATOM 0 H SER A 9 -2.629 0.463 -6.554 1.00 1.00 H new ATOM 0 HA SER A 9 -2.486 2.480 -8.613 1.00 1.00 H new ATOM 0 HB2 SER A 9 -4.391 0.389 -7.573 1.00 1.00 H new ATOM 0 HB3 SER A 9 -5.050 1.700 -8.532 1.00 1.00 H new ATOM 0 HG SER A 9 -3.265 -0.355 -9.279 1.00 1.00 H new ATOM 233 N ILE A 10 -3.153 4.434 -7.284 1.00 1.00 N ATOM 234 CA ILE A 10 -3.671 5.648 -6.677 1.00 1.00 C ATOM 235 C ILE A 10 -4.828 6.179 -7.508 1.00 1.00 C ATOM 236 O ILE A 10 -4.625 6.888 -8.499 1.00 1.00 O ATOM 237 CB ILE A 10 -2.578 6.733 -6.560 1.00 1.00 C ATOM 238 CG1 ILE A 10 -1.372 6.193 -5.789 1.00 1.00 C ATOM 239 CG2 ILE A 10 -3.134 7.976 -5.872 1.00 1.00 C ATOM 240 CD1 ILE A 10 -0.139 7.061 -5.914 1.00 1.00 C ATOM 0 H ILE A 10 -2.347 4.579 -7.892 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.014 5.404 -5.672 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.254 7.008 -7.564 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -1.636 6.100 -4.736 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -1.139 5.191 -6.149 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -2.352 8.731 -5.797 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -3.966 8.372 -6.454 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -3.482 7.714 -4.873 1.00 1.00 H new ATOM 0 HD11 ILE A 10 0.677 6.618 -5.343 1.00 1.00 H new ATOM 0 HD12 ILE A 10 0.150 7.134 -6.962 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -0.354 8.057 -5.527 1.00 1.00 H new ATOM 252 N GLY A 11 -6.037 5.799 -7.122 1.00 1.00 N ATOM 253 CA GLY A 11 -7.213 6.173 -7.881 1.00 1.00 C ATOM 254 C GLY A 11 -7.283 5.437 -9.205 1.00 1.00 C ATOM 255 O GLY A 11 -7.982 4.431 -9.330 1.00 1.00 O ATOM 0 H GLY A 11 -6.225 5.236 -6.293 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.107 5.957 -7.297 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.203 7.248 -8.062 1.00 1.00 H new ATOM 259 N ASN A 12 -6.543 5.927 -10.187 1.00 1.00 N ATOM 260 CA ASN A 12 -6.502 5.308 -11.506 1.00 1.00 C ATOM 261 C ASN A 12 -5.068 4.954 -11.892 1.00 1.00 C ATOM 262 O ASN A 12 -4.829 3.989 -12.624 1.00 1.00 O ATOM 263 CB ASN A 12 -7.090 6.249 -12.563 1.00 1.00 C ATOM 264 CG ASN A 12 -8.543 6.606 -12.312 1.00 1.00 C ATOM 265 OD1 ASN A 12 -9.320 5.805 -11.787 1.00 1.00 O ATOM 266 ND2 ASN A 12 -8.920 7.819 -12.684 1.00 1.00 N ATOM 0 H ASN A 12 -5.958 6.758 -10.096 1.00 1.00 H new ATOM 0 HA ASN A 12 -7.098 4.396 -11.463 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -6.499 7.164 -12.593 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -7.003 5.781 -13.544 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -9.884 8.120 -12.539 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -8.247 8.452 -13.115 1.00 1.00 H new ATOM 273 N VAL A 13 -4.113 5.729 -11.386 1.00 1.00 N ATOM 274 CA VAL A 13 -2.711 5.559 -11.754 1.00 1.00 C ATOM 275 C VAL A 13 -1.969 4.747 -10.699 1.00 1.00 C ATOM 276 O VAL A 13 -1.858 5.162 -9.547 1.00 1.00 O ATOM 277 CB VAL A 13 -2.004 6.920 -11.938 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.553 6.727 -12.364 1.00 1.00 C ATOM 279 CG2 VAL A 13 -2.748 7.781 -12.946 1.00 1.00 C ATOM 0 H VAL A 13 -4.285 6.482 -10.719 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.692 5.024 -12.704 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.009 7.435 -10.977 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -0.077 7.700 -12.487 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.022 6.158 -11.601 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -0.520 6.185 -13.309 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -2.233 8.735 -13.060 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.781 7.269 -13.908 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -3.764 7.957 -12.594 1.00 1.00 H new ATOM 289 N VAL A 14 -1.457 3.595 -11.098 1.00 1.00 N ATOM 290 CA VAL A 14 -0.743 2.720 -10.178 1.00 1.00 C ATOM 291 C VAL A 14 0.762 2.948 -10.240 1.00 1.00 C ATOM 292 O VAL A 14 1.354 3.016 -11.317 1.00 1.00 O ATOM 293 CB VAL A 14 -1.075 1.224 -10.419 1.00 1.00 C ATOM 294 CG1 VAL A 14 -1.214 0.912 -11.894 1.00 1.00 C ATOM 295 CG2 VAL A 14 -0.034 0.312 -9.790 1.00 1.00 C ATOM 0 H VAL A 14 -1.521 3.242 -12.053 1.00 1.00 H new ATOM 0 HA VAL A 14 -1.086 2.979 -9.176 1.00 1.00 H new ATOM 0 HB VAL A 14 -2.034 1.036 -9.937 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -1.447 -0.145 -12.022 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -2.017 1.514 -12.319 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.279 1.142 -12.404 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -0.300 -0.728 -9.979 1.00 1.00 H new ATOM 0 HG22 VAL A 14 0.943 0.522 -10.224 1.00 1.00 H new ATOM 0 HG23 VAL A 14 0.001 0.488 -8.715 1.00 1.00 H new ATOM 305 N LYS A 15 1.362 3.078 -9.065 1.00 1.00 N ATOM 306 CA LYS A 15 2.796 3.273 -8.931 1.00 1.00 C ATOM 307 C LYS A 15 3.435 2.033 -8.319 1.00 1.00 C ATOM 308 O LYS A 15 2.846 1.393 -7.446 1.00 1.00 O ATOM 309 CB LYS A 15 3.076 4.476 -8.029 1.00 1.00 C ATOM 310 CG LYS A 15 2.511 5.790 -8.539 1.00 1.00 C ATOM 311 CD LYS A 15 3.346 6.361 -9.673 1.00 1.00 C ATOM 312 CE LYS A 15 2.915 7.776 -10.009 1.00 1.00 C ATOM 313 NZ LYS A 15 3.862 8.446 -10.937 1.00 1.00 N ATOM 0 H LYS A 15 0.864 3.051 -8.175 1.00 1.00 H new ATOM 0 HA LYS A 15 3.218 3.451 -9.920 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.663 4.277 -7.040 1.00 1.00 H new ATOM 0 HB3 LYS A 15 4.154 4.581 -7.909 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.488 5.637 -8.882 1.00 1.00 H new ATOM 0 HG3 LYS A 15 2.468 6.509 -7.721 1.00 1.00 H new ATOM 0 HD2 LYS A 15 4.399 6.355 -9.392 1.00 1.00 H new ATOM 0 HD3 LYS A 15 3.248 5.728 -10.555 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.922 7.754 -10.459 1.00 1.00 H new ATOM 0 HE3 LYS A 15 2.836 8.358 -9.091 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 3.857 9.470 -10.758 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 4.820 8.072 -10.785 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 3.572 8.265 -11.919 1.00 1.00 H new ATOM 327 N THR A 16 4.627 1.692 -8.775 1.00 1.00 N ATOM 328 CA THR A 16 5.369 0.588 -8.193 1.00 1.00 C ATOM 329 C THR A 16 6.152 1.074 -6.975 1.00 1.00 C ATOM 330 O THR A 16 7.129 1.814 -7.104 1.00 1.00 O ATOM 331 CB THR A 16 6.331 -0.035 -9.220 1.00 1.00 C ATOM 332 OG1 THR A 16 5.617 -0.318 -10.432 1.00 1.00 O ATOM 333 CG2 THR A 16 6.951 -1.318 -8.681 1.00 1.00 C ATOM 0 H THR A 16 5.101 2.163 -9.545 1.00 1.00 H new ATOM 0 HA THR A 16 4.657 -0.178 -7.885 1.00 1.00 H new ATOM 0 HB THR A 16 7.133 0.676 -9.418 1.00 1.00 H new ATOM 0 HG1 THR A 16 6.229 -0.713 -11.088 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.626 -1.737 -9.427 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.508 -1.098 -7.770 1.00 1.00 H new ATOM 0 HG23 THR A 16 6.163 -2.038 -8.460 1.00 1.00 H new ATOM 341 N MET A 17 5.704 0.674 -5.795 1.00 1.00 N ATOM 342 CA MET A 17 6.310 1.131 -4.553 1.00 1.00 C ATOM 343 C MET A 17 6.892 -0.031 -3.769 1.00 1.00 C ATOM 344 O MET A 17 6.317 -1.117 -3.728 1.00 1.00 O ATOM 345 CB MET A 17 5.278 1.870 -3.702 1.00 1.00 C ATOM 346 CG MET A 17 4.955 3.264 -4.212 1.00 1.00 C ATOM 347 SD MET A 17 6.329 4.413 -3.999 1.00 1.00 S ATOM 348 CE MET A 17 6.491 4.416 -2.213 1.00 1.00 C ATOM 0 H MET A 17 4.921 0.032 -5.671 1.00 1.00 H new ATOM 0 HA MET A 17 7.121 1.814 -4.805 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.360 1.283 -3.668 1.00 1.00 H new ATOM 0 HB3 MET A 17 5.648 1.943 -2.679 1.00 1.00 H new ATOM 0 HG2 MET A 17 4.692 3.209 -5.268 1.00 1.00 H new ATOM 0 HG3 MET A 17 4.081 3.647 -3.685 1.00 1.00 H new ATOM 0 HE1 MET A 17 7.148 5.231 -1.909 1.00 1.00 H new ATOM 0 HE2 MET A 17 5.510 4.552 -1.759 1.00 1.00 H new ATOM 0 HE3 MET A 17 6.914 3.467 -1.884 1.00 1.00 H new ATOM 358 N GLN A 18 8.040 0.202 -3.152 1.00 1.00 N ATOM 359 CA GLN A 18 8.699 -0.822 -2.360 1.00 1.00 C ATOM 360 C GLN A 18 8.579 -0.505 -0.878 1.00 1.00 C ATOM 361 O GLN A 18 9.192 0.440 -0.382 1.00 1.00 O ATOM 362 CB GLN A 18 10.171 -0.948 -2.760 1.00 1.00 C ATOM 363 CG GLN A 18 10.369 -1.312 -4.221 1.00 1.00 C ATOM 364 CD GLN A 18 11.827 -1.477 -4.603 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.158 -2.256 -5.495 1.00 1.00 O ATOM 366 NE2 GLN A 18 12.710 -0.745 -3.942 1.00 1.00 N ATOM 0 H GLN A 18 8.535 1.093 -3.185 1.00 1.00 H new ATOM 0 HA GLN A 18 8.207 -1.775 -2.553 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.677 -0.005 -2.556 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.646 -1.706 -2.137 1.00 1.00 H new ATOM 0 HG2 GLN A 18 9.837 -2.240 -4.433 1.00 1.00 H new ATOM 0 HG3 GLN A 18 9.922 -0.539 -4.845 1.00 1.00 H new ATOM 0 HE21 GLN A 18 12.398 -0.109 -3.208 1.00 1.00 H new ATOM 0 HE22 GLN A 18 13.702 -0.817 -4.167 1.00 1.00 H new ATOM 375 N PHE A 19 7.768 -1.285 -0.186 1.00 1.00 N ATOM 376 CA PHE A 19 7.578 -1.123 1.247 1.00 1.00 C ATOM 377 C PHE A 19 8.416 -2.153 1.990 1.00 1.00 C ATOM 378 O PHE A 19 9.142 -2.926 1.371 1.00 1.00 O ATOM 379 CB PHE A 19 6.109 -1.321 1.625 1.00 1.00 C ATOM 380 CG PHE A 19 5.131 -0.477 0.857 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.817 0.805 1.273 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.498 -0.986 -0.267 1.00 1.00 C ATOM 383 CE1 PHE A 19 3.892 1.566 0.584 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.578 -0.229 -0.963 1.00 1.00 C ATOM 385 CZ PHE A 19 3.273 1.048 -0.536 1.00 1.00 C ATOM 0 H PHE A 19 7.225 -2.044 -0.597 1.00 1.00 H new ATOM 0 HA PHE A 19 7.885 -0.114 1.522 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.851 -2.370 1.480 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.992 -1.108 2.688 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.301 1.216 2.147 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.728 -1.987 -0.602 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.654 2.564 0.921 1.00 1.00 H new ATOM 0 HE2 PHE A 19 3.097 -0.635 -1.841 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.551 1.641 -1.078 1.00 1.00 H new ATOM 395 N GLU A 20 8.323 -2.165 3.308 1.00 1.00 N ATOM 396 CA GLU A 20 8.932 -3.227 4.089 1.00 1.00 C ATOM 397 C GLU A 20 7.845 -4.104 4.698 1.00 1.00 C ATOM 398 O GLU A 20 6.768 -3.617 5.036 1.00 1.00 O ATOM 399 CB GLU A 20 9.827 -2.671 5.201 1.00 1.00 C ATOM 400 CG GLU A 20 11.018 -1.863 4.709 1.00 1.00 C ATOM 401 CD GLU A 20 10.695 -0.397 4.502 1.00 1.00 C ATOM 402 OE1 GLU A 20 10.191 0.239 5.449 1.00 1.00 O ATOM 403 OE2 GLU A 20 10.985 0.136 3.409 1.00 1.00 O ATOM 0 H GLU A 20 7.835 -1.457 3.857 1.00 1.00 H new ATOM 0 HA GLU A 20 9.557 -3.818 3.419 1.00 1.00 H new ATOM 0 HB2 GLU A 20 9.223 -2.042 5.855 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.192 -3.502 5.805 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.832 -1.952 5.428 1.00 1.00 H new ATOM 0 HG3 GLU A 20 11.374 -2.287 3.770 1.00 1.00 H new ATOM 410 N PRO A 21 8.099 -5.414 4.825 1.00 1.00 N ATOM 411 CA PRO A 21 7.163 -6.349 5.463 1.00 1.00 C ATOM 412 C PRO A 21 6.739 -5.902 6.863 1.00 1.00 C ATOM 413 O PRO A 21 5.605 -6.139 7.284 1.00 1.00 O ATOM 414 CB PRO A 21 7.957 -7.653 5.542 1.00 1.00 C ATOM 415 CG PRO A 21 8.961 -7.556 4.447 1.00 1.00 C ATOM 416 CD PRO A 21 9.305 -6.098 4.321 1.00 1.00 C ATOM 0 HA PRO A 21 6.233 -6.429 4.900 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.440 -7.763 6.513 1.00 1.00 H new ATOM 0 HB3 PRO A 21 7.309 -8.519 5.408 1.00 1.00 H new ATOM 0 HG2 PRO A 21 9.848 -8.146 4.678 1.00 1.00 H new ATOM 0 HG3 PRO A 21 8.556 -7.943 3.512 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.187 -5.842 4.908 1.00 1.00 H new ATOM 0 HD3 PRO A 21 9.519 -5.824 3.288 1.00 1.00 H new ATOM 424 N SER A 22 7.649 -5.241 7.570 1.00 1.00 N ATOM 425 CA SER A 22 7.394 -4.810 8.937 1.00 1.00 C ATOM 426 C SER A 22 6.633 -3.479 8.971 1.00 1.00 C ATOM 427 O SER A 22 6.267 -2.990 10.043 1.00 1.00 O ATOM 428 CB SER A 22 8.717 -4.691 9.697 1.00 1.00 C ATOM 429 OG SER A 22 8.516 -4.683 11.103 1.00 1.00 O ATOM 0 H SER A 22 8.573 -4.992 7.216 1.00 1.00 H new ATOM 0 HA SER A 22 6.768 -5.559 9.421 1.00 1.00 H new ATOM 0 HB2 SER A 22 9.368 -5.523 9.427 1.00 1.00 H new ATOM 0 HB3 SER A 22 9.228 -3.776 9.397 1.00 1.00 H new ATOM 0 HG SER A 22 7.736 -4.130 11.319 1.00 1.00 H new ATOM 435 N THR A 23 6.392 -2.898 7.801 1.00 1.00 N ATOM 436 CA THR A 23 5.652 -1.648 7.705 1.00 1.00 C ATOM 437 C THR A 23 4.174 -1.870 8.023 1.00 1.00 C ATOM 438 O THR A 23 3.578 -2.862 7.598 1.00 1.00 O ATOM 439 CB THR A 23 5.798 -1.023 6.300 1.00 1.00 C ATOM 440 OG1 THR A 23 7.172 -0.698 6.053 1.00 1.00 O ATOM 441 CG2 THR A 23 4.949 0.232 6.152 1.00 1.00 C ATOM 0 H THR A 23 6.700 -3.275 6.905 1.00 1.00 H new ATOM 0 HA THR A 23 6.072 -0.958 8.437 1.00 1.00 H new ATOM 0 HB THR A 23 5.450 -1.757 5.573 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.243 0.242 5.785 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.078 0.643 5.151 1.00 1.00 H new ATOM 0 HG22 THR A 23 3.900 -0.018 6.309 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.260 0.971 6.890 1.00 1.00 H new ATOM 449 N MET A 24 3.599 -0.951 8.788 1.00 1.00 N ATOM 450 CA MET A 24 2.192 -1.024 9.154 1.00 1.00 C ATOM 451 C MET A 24 1.338 -0.358 8.081 1.00 1.00 C ATOM 452 O MET A 24 1.811 0.527 7.369 1.00 1.00 O ATOM 453 CB MET A 24 1.962 -0.357 10.513 1.00 1.00 C ATOM 454 CG MET A 24 2.798 -0.964 11.632 1.00 1.00 C ATOM 455 SD MET A 24 2.529 -0.166 13.230 1.00 1.00 S ATOM 456 CE MET A 24 0.828 -0.620 13.556 1.00 1.00 C ATOM 0 H MET A 24 4.090 -0.142 9.169 1.00 1.00 H new ATOM 0 HA MET A 24 1.901 -2.072 9.231 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.193 0.705 10.432 1.00 1.00 H new ATOM 0 HB3 MET A 24 0.907 -0.435 10.774 1.00 1.00 H new ATOM 0 HG2 MET A 24 2.563 -2.025 11.718 1.00 1.00 H new ATOM 0 HG3 MET A 24 3.853 -0.891 11.369 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.538 -0.260 14.543 1.00 1.00 H new ATOM 0 HE2 MET A 24 0.181 -0.172 12.802 1.00 1.00 H new ATOM 0 HE3 MET A 24 0.728 -1.705 13.522 1.00 1.00 H new ATOM 466 N VAL A 25 0.084 -0.775 7.978 1.00 1.00 N ATOM 467 CA VAL A 25 -0.801 -0.327 6.903 1.00 1.00 C ATOM 468 C VAL A 25 -0.957 1.194 6.855 1.00 1.00 C ATOM 469 O VAL A 25 -0.762 1.800 5.801 1.00 1.00 O ATOM 470 CB VAL A 25 -2.192 -0.980 7.016 1.00 1.00 C ATOM 471 CG1 VAL A 25 -3.149 -0.401 5.982 1.00 1.00 C ATOM 472 CG2 VAL A 25 -2.078 -2.488 6.852 1.00 1.00 C ATOM 0 H VAL A 25 -0.350 -1.429 8.630 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.324 -0.643 5.975 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.594 -0.764 8.006 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -4.124 -0.878 6.082 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.252 0.672 6.142 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.757 -0.583 4.981 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -3.067 -2.939 6.934 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.655 -2.717 5.874 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.430 -2.891 7.631 1.00 1.00 H new ATOM 482 N TYR A 26 -1.297 1.814 7.982 1.00 1.00 N ATOM 483 CA TYR A 26 -1.529 3.260 8.003 1.00 1.00 C ATOM 484 C TYR A 26 -0.239 4.007 7.685 1.00 1.00 C ATOM 485 O TYR A 26 -0.258 5.106 7.131 1.00 1.00 O ATOM 486 CB TYR A 26 -2.085 3.718 9.358 1.00 1.00 C ATOM 487 CG TYR A 26 -1.076 3.725 10.489 1.00 1.00 C ATOM 488 CD1 TYR A 26 -0.575 2.542 11.013 1.00 1.00 C ATOM 489 CD2 TYR A 26 -0.634 4.921 11.039 1.00 1.00 C ATOM 490 CE1 TYR A 26 0.337 2.550 12.049 1.00 1.00 C ATOM 491 CE2 TYR A 26 0.279 4.937 12.075 1.00 1.00 C ATOM 492 CZ TYR A 26 0.762 3.748 12.575 1.00 1.00 C ATOM 493 OH TYR A 26 1.669 3.756 13.610 1.00 1.00 O ATOM 0 H TYR A 26 -1.417 1.348 8.882 1.00 1.00 H new ATOM 0 HA TYR A 26 -2.272 3.490 7.239 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -2.492 4.723 9.247 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.914 3.067 9.634 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -0.904 1.599 10.603 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -1.011 5.855 10.650 1.00 1.00 H new ATOM 0 HE1 TYR A 26 0.716 1.619 12.445 1.00 1.00 H new ATOM 0 HE2 TYR A 26 0.612 5.876 12.491 1.00 1.00 H new ATOM 0 HH TYR A 26 1.866 4.681 13.865 1.00 1.00 H new ATOM 503 N ASP A 27 0.878 3.384 8.016 1.00 1.00 N ATOM 504 CA ASP A 27 2.180 3.980 7.781 1.00 1.00 C ATOM 505 C ASP A 27 2.562 3.835 6.315 1.00 1.00 C ATOM 506 O ASP A 27 3.163 4.731 5.727 1.00 1.00 O ATOM 507 CB ASP A 27 3.229 3.326 8.675 1.00 1.00 C ATOM 508 CG ASP A 27 4.558 4.043 8.619 1.00 1.00 C ATOM 509 OD1 ASP A 27 4.652 5.163 9.162 1.00 1.00 O ATOM 510 OD2 ASP A 27 5.519 3.488 8.046 1.00 1.00 O ATOM 0 H ASP A 27 0.909 2.462 8.450 1.00 1.00 H new ATOM 0 HA ASP A 27 2.133 5.041 8.025 1.00 1.00 H new ATOM 0 HB2 ASP A 27 2.869 3.313 9.704 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.366 2.288 8.372 1.00 1.00 H new ATOM 515 N ALA A 28 2.189 2.704 5.725 1.00 1.00 N ATOM 516 CA ALA A 28 2.387 2.477 4.301 1.00 1.00 C ATOM 517 C ALA A 28 1.558 3.467 3.490 1.00 1.00 C ATOM 518 O ALA A 28 1.964 3.895 2.409 1.00 1.00 O ATOM 519 CB ALA A 28 2.025 1.047 3.934 1.00 1.00 C ATOM 0 H ALA A 28 1.746 1.927 6.216 1.00 1.00 H new ATOM 0 HA ALA A 28 3.440 2.632 4.066 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.179 0.895 2.866 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.657 0.357 4.493 1.00 1.00 H new ATOM 0 HB3 ALA A 28 0.979 0.862 4.180 1.00 1.00 H new ATOM 525 N CYS A 29 0.398 3.828 4.028 1.00 1.00 N ATOM 526 CA CYS A 29 -0.438 4.856 3.425 1.00 1.00 C ATOM 527 C CYS A 29 0.307 6.186 3.420 1.00 1.00 C ATOM 528 O CYS A 29 0.291 6.921 2.431 1.00 1.00 O ATOM 529 CB CYS A 29 -1.758 4.997 4.191 1.00 1.00 C ATOM 530 SG CYS A 29 -2.725 3.472 4.292 1.00 1.00 S ATOM 0 H CYS A 29 0.016 3.422 4.882 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.665 4.565 2.399 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -1.543 5.345 5.201 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.363 5.766 3.711 1.00 1.00 H new ATOM 0 HG CYS A 29 -2.052 2.574 4.948 1.00 1.00 H new ATOM 536 N ARG A 30 0.984 6.476 4.527 1.00 1.00 N ATOM 537 CA ARG A 30 1.775 7.690 4.641 1.00 1.00 C ATOM 538 C ARG A 30 2.941 7.656 3.656 1.00 1.00 C ATOM 539 O ARG A 30 3.315 8.678 3.087 1.00 1.00 O ATOM 540 CB ARG A 30 2.296 7.869 6.069 1.00 1.00 C ATOM 541 CG ARG A 30 3.075 9.161 6.264 1.00 1.00 C ATOM 542 CD ARG A 30 3.692 9.254 7.648 1.00 1.00 C ATOM 543 NE ARG A 30 2.685 9.341 8.705 1.00 1.00 N ATOM 544 CZ ARG A 30 2.700 10.263 9.666 1.00 1.00 C ATOM 545 NH1 ARG A 30 3.654 11.190 9.697 1.00 1.00 N ATOM 546 NH2 ARG A 30 1.757 10.257 10.595 1.00 1.00 N ATOM 0 H ARG A 30 0.999 5.884 5.357 1.00 1.00 H new ATOM 0 HA ARG A 30 1.134 8.538 4.401 1.00 1.00 H new ATOM 0 HB2 ARG A 30 1.454 7.852 6.761 1.00 1.00 H new ATOM 0 HB3 ARG A 30 2.936 7.024 6.324 1.00 1.00 H new ATOM 0 HG2 ARG A 30 3.861 9.226 5.512 1.00 1.00 H new ATOM 0 HG3 ARG A 30 2.411 10.011 6.106 1.00 1.00 H new ATOM 0 HD2 ARG A 30 4.321 8.381 7.821 1.00 1.00 H new ATOM 0 HD3 ARG A 30 4.340 10.129 7.695 1.00 1.00 H new ATOM 0 HE ARG A 30 1.928 8.657 8.706 1.00 1.00 H new ATOM 0 HH11 ARG A 30 4.381 11.198 8.981 1.00 1.00 H new ATOM 0 HH12 ARG A 30 3.658 11.893 10.436 1.00 1.00 H new ATOM 0 HH21 ARG A 30 1.024 9.549 10.573 1.00 1.00 H new ATOM 0 HH22 ARG A 30 1.764 10.961 11.333 1.00 1.00 H new ATOM 560 N MET A 31 3.499 6.471 3.443 1.00 1.00 N ATOM 561 CA MET A 31 4.611 6.308 2.511 1.00 1.00 C ATOM 562 C MET A 31 4.212 6.734 1.103 1.00 1.00 C ATOM 563 O MET A 31 5.016 7.320 0.379 1.00 1.00 O ATOM 564 CB MET A 31 5.110 4.861 2.493 1.00 1.00 C ATOM 565 CG MET A 31 5.725 4.408 3.806 1.00 1.00 C ATOM 566 SD MET A 31 6.407 2.740 3.719 1.00 1.00 S ATOM 567 CE MET A 31 7.718 2.967 2.516 1.00 1.00 C ATOM 0 H MET A 31 3.202 5.610 3.901 1.00 1.00 H new ATOM 0 HA MET A 31 5.421 6.951 2.856 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.277 4.202 2.246 1.00 1.00 H new ATOM 0 HB3 MET A 31 5.849 4.751 1.699 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.514 5.104 4.092 1.00 1.00 H new ATOM 0 HG3 MET A 31 4.968 4.446 4.589 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.460 2.178 2.634 1.00 1.00 H new ATOM 0 HE2 MET A 31 7.300 2.925 1.510 1.00 1.00 H new ATOM 0 HE3 MET A 31 8.191 3.936 2.672 1.00 1.00 H new ATOM 577 N ILE A 32 2.970 6.453 0.719 1.00 1.00 N ATOM 578 CA ILE A 32 2.492 6.816 -0.609 1.00 1.00 C ATOM 579 C ILE A 32 2.398 8.331 -0.769 1.00 1.00 C ATOM 580 O ILE A 32 2.872 8.877 -1.757 1.00 1.00 O ATOM 581 CB ILE A 32 1.130 6.154 -0.954 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.315 4.651 -1.159 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.521 6.787 -2.198 1.00 1.00 C ATOM 584 CD1 ILE A 32 2.231 4.319 -2.315 1.00 1.00 C ATOM 0 H ILE A 32 2.282 5.979 1.304 1.00 1.00 H new ATOM 0 HA ILE A 32 3.229 6.433 -1.315 1.00 1.00 H new ATOM 0 HB ILE A 32 0.446 6.316 -0.121 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.718 4.213 -0.246 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.342 4.191 -1.331 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.432 6.308 -2.421 1.00 1.00 H new ATOM 0 HG22 ILE A 32 0.360 7.851 -2.023 1.00 1.00 H new ATOM 0 HG23 ILE A 32 1.199 6.656 -3.042 1.00 1.00 H new ATOM 0 HD11 ILE A 32 2.321 3.237 -2.408 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.818 4.729 -3.236 1.00 1.00 H new ATOM 0 HD13 ILE A 32 3.215 4.751 -2.135 1.00 1.00 H new ATOM 596 N ARG A 33 1.822 9.010 0.211 1.00 1.00 N ATOM 597 CA ARG A 33 1.648 10.455 0.122 1.00 1.00 C ATOM 598 C ARG A 33 2.980 11.200 0.245 1.00 1.00 C ATOM 599 O ARG A 33 3.144 12.284 -0.317 1.00 1.00 O ATOM 600 CB ARG A 33 0.655 10.955 1.178 1.00 1.00 C ATOM 601 CG ARG A 33 0.897 10.402 2.572 1.00 1.00 C ATOM 602 CD ARG A 33 0.043 11.106 3.612 1.00 1.00 C ATOM 603 NE ARG A 33 0.563 12.435 3.938 1.00 1.00 N ATOM 604 CZ ARG A 33 -0.194 13.515 4.127 1.00 1.00 C ATOM 605 NH1 ARG A 33 -1.507 13.453 3.956 1.00 1.00 N ATOM 606 NH2 ARG A 33 0.376 14.665 4.465 1.00 1.00 N ATOM 0 H ARG A 33 1.469 8.590 1.071 1.00 1.00 H new ATOM 0 HA ARG A 33 1.241 10.667 -0.867 1.00 1.00 H new ATOM 0 HB2 ARG A 33 0.702 12.043 1.218 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -0.355 10.691 0.865 1.00 1.00 H new ATOM 0 HG2 ARG A 33 0.677 9.334 2.583 1.00 1.00 H new ATOM 0 HG3 ARG A 33 1.950 10.514 2.830 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -0.978 11.197 3.242 1.00 1.00 H new ATOM 0 HD3 ARG A 33 0.001 10.501 4.517 1.00 1.00 H new ATOM 0 HE ARG A 33 1.574 12.541 4.026 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -1.944 12.574 3.678 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -2.080 14.284 4.103 1.00 1.00 H new ATOM 0 HH21 ARG A 33 1.388 14.718 4.579 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -0.198 15.495 4.611 1.00 1.00 H new ATOM 620 N GLU A 34 3.930 10.628 0.973 1.00 1.00 N ATOM 621 CA GLU A 34 5.224 11.273 1.158 1.00 1.00 C ATOM 622 C GLU A 34 6.144 11.035 -0.035 1.00 1.00 C ATOM 623 O GLU A 34 6.741 11.975 -0.562 1.00 1.00 O ATOM 624 CB GLU A 34 5.900 10.792 2.439 1.00 1.00 C ATOM 625 CG GLU A 34 5.119 11.130 3.693 1.00 1.00 C ATOM 626 CD GLU A 34 5.933 10.938 4.951 1.00 1.00 C ATOM 627 OE1 GLU A 34 6.146 9.781 5.360 1.00 1.00 O ATOM 628 OE2 GLU A 34 6.361 11.953 5.541 1.00 1.00 O ATOM 0 H GLU A 34 3.831 9.727 1.441 1.00 1.00 H new ATOM 0 HA GLU A 34 5.038 12.344 1.240 1.00 1.00 H new ATOM 0 HB2 GLU A 34 6.038 9.712 2.385 1.00 1.00 H new ATOM 0 HB3 GLU A 34 6.893 11.237 2.507 1.00 1.00 H new ATOM 0 HG2 GLU A 34 4.780 12.164 3.638 1.00 1.00 H new ATOM 0 HG3 GLU A 34 4.228 10.504 3.742 1.00 1.00 H new ATOM 635 N ARG A 35 6.254 9.784 -0.462 1.00 1.00 N ATOM 636 CA ARG A 35 7.139 9.437 -1.569 1.00 1.00 C ATOM 637 C ARG A 35 6.524 9.842 -2.904 1.00 1.00 C ATOM 638 O ARG A 35 7.235 10.154 -3.858 1.00 1.00 O ATOM 639 CB ARG A 35 7.444 7.939 -1.561 1.00 1.00 C ATOM 640 CG ARG A 35 8.257 7.493 -0.355 1.00 1.00 C ATOM 641 CD ARG A 35 9.637 8.132 -0.347 1.00 1.00 C ATOM 642 NE ARG A 35 10.421 7.744 -1.519 1.00 1.00 N ATOM 643 CZ ARG A 35 11.548 8.344 -1.901 1.00 1.00 C ATOM 644 NH1 ARG A 35 12.047 9.353 -1.196 1.00 1.00 N ATOM 645 NH2 ARG A 35 12.183 7.923 -2.985 1.00 1.00 N ATOM 0 H ARG A 35 5.745 8.996 -0.062 1.00 1.00 H new ATOM 0 HA ARG A 35 8.072 9.986 -1.440 1.00 1.00 H new ATOM 0 HB2 ARG A 35 6.506 7.385 -1.582 1.00 1.00 H new ATOM 0 HB3 ARG A 35 7.987 7.682 -2.471 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.727 7.757 0.560 1.00 1.00 H new ATOM 0 HG3 ARG A 35 8.357 6.408 -0.364 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.535 9.217 -0.320 1.00 1.00 H new ATOM 0 HD3 ARG A 35 10.168 7.839 0.559 1.00 1.00 H new ATOM 0 HE ARG A 35 10.083 6.963 -2.081 1.00 1.00 H new ATOM 0 HH11 ARG A 35 11.567 9.674 -0.355 1.00 1.00 H new ATOM 0 HH12 ARG A 35 12.910 9.807 -1.495 1.00 1.00 H new ATOM 0 HH21 ARG A 35 11.809 7.142 -3.524 1.00 1.00 H new ATOM 0 HH22 ARG A 35 13.046 8.380 -3.280 1.00 1.00 H new ATOM 659 N ILE A 36 5.203 9.841 -2.960 1.00 1.00 N ATOM 660 CA ILE A 36 4.488 10.239 -4.160 1.00 1.00 C ATOM 661 C ILE A 36 3.635 11.469 -3.867 1.00 1.00 C ATOM 662 O ILE A 36 2.656 11.392 -3.127 1.00 1.00 O ATOM 663 CB ILE A 36 3.578 9.101 -4.674 1.00 1.00 C ATOM 664 CG1 ILE A 36 4.381 7.807 -4.828 1.00 1.00 C ATOM 665 CG2 ILE A 36 2.930 9.488 -5.996 1.00 1.00 C ATOM 666 CD1 ILE A 36 3.532 6.601 -5.157 1.00 1.00 C ATOM 0 H ILE A 36 4.601 9.567 -2.183 1.00 1.00 H new ATOM 0 HA ILE A 36 5.225 10.468 -4.930 1.00 1.00 H new ATOM 0 HB ILE A 36 2.787 8.934 -3.943 1.00 1.00 H new ATOM 0 HG12 ILE A 36 5.124 7.942 -5.614 1.00 1.00 H new ATOM 0 HG13 ILE A 36 4.926 7.616 -3.903 1.00 1.00 H new ATOM 0 HG21 ILE A 36 2.293 8.674 -6.341 1.00 1.00 H new ATOM 0 HG22 ILE A 36 2.328 10.386 -5.857 1.00 1.00 H new ATOM 0 HG23 ILE A 36 3.705 9.682 -6.738 1.00 1.00 H new ATOM 0 HD11 ILE A 36 4.170 5.722 -5.251 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.806 6.439 -4.360 1.00 1.00 H new ATOM 0 HD13 ILE A 36 3.007 6.771 -6.097 1.00 1.00 H new ATOM 678 N PRO A 37 3.977 12.618 -4.462 1.00 1.00 N ATOM 679 CA PRO A 37 3.273 13.880 -4.207 1.00 1.00 C ATOM 680 C PRO A 37 1.915 13.879 -4.876 1.00 1.00 C ATOM 681 O PRO A 37 1.030 14.673 -4.547 1.00 1.00 O ATOM 682 CB PRO A 37 4.180 14.902 -4.882 1.00 1.00 C ATOM 683 CG PRO A 37 4.700 14.143 -6.043 1.00 1.00 C ATOM 684 CD PRO A 37 5.036 12.792 -5.475 1.00 1.00 C ATOM 0 HA PRO A 37 3.095 14.070 -3.149 1.00 1.00 H new ATOM 0 HB2 PRO A 37 3.631 15.792 -5.190 1.00 1.00 H new ATOM 0 HB3 PRO A 37 4.981 15.234 -4.221 1.00 1.00 H new ATOM 0 HG2 PRO A 37 3.956 14.068 -6.836 1.00 1.00 H new ATOM 0 HG3 PRO A 37 5.578 14.624 -6.473 1.00 1.00 H new ATOM 0 HD2 PRO A 37 5.008 12.011 -6.234 1.00 1.00 H new ATOM 0 HD3 PRO A 37 6.032 12.771 -5.033 1.00 1.00 H new ATOM 692 N GLU A 38 1.767 12.964 -5.821 1.00 1.00 N ATOM 693 CA GLU A 38 0.573 12.879 -6.623 1.00 1.00 C ATOM 694 C GLU A 38 -0.600 12.378 -5.786 1.00 1.00 C ATOM 695 O GLU A 38 -1.751 12.732 -6.039 1.00 1.00 O ATOM 696 CB GLU A 38 0.807 11.965 -7.827 1.00 1.00 C ATOM 697 CG GLU A 38 1.905 12.467 -8.752 1.00 1.00 C ATOM 698 CD GLU A 38 2.114 11.579 -9.960 1.00 1.00 C ATOM 699 OE1 GLU A 38 1.266 11.603 -10.874 1.00 1.00 O ATOM 700 OE2 GLU A 38 3.142 10.873 -10.015 1.00 1.00 O ATOM 0 H GLU A 38 2.474 12.264 -6.048 1.00 1.00 H new ATOM 0 HA GLU A 38 0.328 13.876 -6.989 1.00 1.00 H new ATOM 0 HB2 GLU A 38 1.066 10.967 -7.473 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -0.121 11.872 -8.391 1.00 1.00 H new ATOM 0 HG2 GLU A 38 1.658 13.474 -9.087 1.00 1.00 H new ATOM 0 HG3 GLU A 38 2.839 12.537 -8.194 1.00 1.00 H new ATOM 707 N ALA A 39 -0.295 11.563 -4.776 1.00 1.00 N ATOM 708 CA ALA A 39 -1.318 11.018 -3.892 1.00 1.00 C ATOM 709 C ALA A 39 -1.761 12.031 -2.839 1.00 1.00 C ATOM 710 O ALA A 39 -2.727 11.801 -2.111 1.00 1.00 O ATOM 711 CB ALA A 39 -0.799 9.764 -3.215 1.00 1.00 C ATOM 0 H ALA A 39 0.655 11.267 -4.552 1.00 1.00 H new ATOM 0 HA ALA A 39 -2.187 10.775 -4.503 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -1.568 9.362 -2.556 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -0.544 9.021 -3.971 1.00 1.00 H new ATOM 0 HB3 ALA A 39 0.089 10.007 -2.631 1.00 1.00 H new ATOM 717 N LEU A 40 -1.050 13.147 -2.754 1.00 1.00 N ATOM 718 CA LEU A 40 -1.377 14.185 -1.787 1.00 1.00 C ATOM 719 C LEU A 40 -2.613 14.964 -2.214 1.00 1.00 C ATOM 720 O LEU A 40 -2.528 15.924 -2.979 1.00 1.00 O ATOM 721 CB LEU A 40 -0.192 15.128 -1.581 1.00 1.00 C ATOM 722 CG LEU A 40 0.902 14.587 -0.660 1.00 1.00 C ATOM 723 CD1 LEU A 40 2.159 15.430 -0.761 1.00 1.00 C ATOM 724 CD2 LEU A 40 0.409 14.557 0.777 1.00 1.00 C ATOM 0 H LEU A 40 -0.244 13.356 -3.343 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.597 13.697 -0.837 1.00 1.00 H new ATOM 0 HB2 LEU A 40 0.248 15.354 -2.552 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -0.560 16.069 -1.172 1.00 1.00 H new ATOM 0 HG LEU A 40 1.143 13.572 -0.976 1.00 1.00 H new ATOM 0 HD11 LEU A 40 2.923 15.025 -0.097 1.00 1.00 H new ATOM 0 HD12 LEU A 40 2.526 15.415 -1.787 1.00 1.00 H new ATOM 0 HD13 LEU A 40 1.933 16.456 -0.472 1.00 1.00 H new ATOM 0 HD21 LEU A 40 1.196 14.170 1.424 1.00 1.00 H new ATOM 0 HD22 LEU A 40 0.144 15.566 1.092 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -0.468 13.913 0.848 1.00 1.00 H new ATOM 736 N ALA A 41 -3.760 14.509 -1.739 1.00 1.00 N ATOM 737 CA ALA A 41 -5.028 15.174 -1.990 1.00 1.00 C ATOM 738 C ALA A 41 -5.919 15.061 -0.759 1.00 1.00 C ATOM 739 O ALA A 41 -7.146 15.142 -0.845 1.00 1.00 O ATOM 740 CB ALA A 41 -5.710 14.566 -3.208 1.00 1.00 C ATOM 0 H ALA A 41 -3.839 13.667 -1.168 1.00 1.00 H new ATOM 0 HA ALA A 41 -4.846 16.229 -2.195 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -6.659 15.073 -3.385 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -5.068 14.683 -4.081 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -5.893 13.506 -3.031 1.00 1.00 H new ATOM 746 N GLY A 42 -5.287 14.878 0.391 1.00 1.00 N ATOM 747 CA GLY A 42 -6.022 14.717 1.625 1.00 1.00 C ATOM 748 C GLY A 42 -5.173 14.103 2.719 1.00 1.00 C ATOM 749 O GLY A 42 -4.049 13.663 2.460 1.00 1.00 O ATOM 0 H GLY A 42 -4.273 14.838 0.490 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.391 15.688 1.955 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.894 14.088 1.447 1.00 1.00 H new ATOM 753 N PRO A 43 -5.688 14.068 3.958 1.00 1.00 N ATOM 754 CA PRO A 43 -4.967 13.517 5.112 1.00 1.00 C ATOM 755 C PRO A 43 -4.734 12.017 5.006 1.00 1.00 C ATOM 756 O PRO A 43 -5.399 11.322 4.235 1.00 1.00 O ATOM 757 CB PRO A 43 -5.867 13.873 6.300 1.00 1.00 C ATOM 758 CG PRO A 43 -7.225 14.046 5.720 1.00 1.00 C ATOM 759 CD PRO A 43 -7.022 14.573 4.329 1.00 1.00 C ATOM 0 HA PRO A 43 -3.961 13.928 5.199 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -5.857 13.084 7.052 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -5.529 14.786 6.791 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -7.764 13.099 5.703 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -7.818 14.740 6.316 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -7.791 14.211 3.647 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -7.060 15.662 4.303 1.00 1.00 H new ATOM 767 N PRO A 44 -3.770 11.511 5.793 1.00 1.00 N ATOM 768 CA PRO A 44 -3.219 10.170 5.615 1.00 1.00 C ATOM 769 C PRO A 44 -4.258 9.046 5.620 1.00 1.00 C ATOM 770 O PRO A 44 -4.205 8.152 4.778 1.00 1.00 O ATOM 771 CB PRO A 44 -2.255 10.007 6.794 1.00 1.00 C ATOM 772 CG PRO A 44 -1.903 11.397 7.190 1.00 1.00 C ATOM 773 CD PRO A 44 -3.130 12.216 6.921 1.00 1.00 C ATOM 0 HA PRO A 44 -2.751 10.085 4.634 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -2.724 9.468 7.617 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -1.369 9.441 6.506 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -1.622 11.446 8.242 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -1.053 11.765 6.616 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -3.784 12.258 7.792 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -2.878 13.244 6.662 1.00 1.00 H new ATOM 781 N ASN A 45 -5.196 9.084 6.558 1.00 1.00 N ATOM 782 CA ASN A 45 -6.171 8.004 6.679 1.00 1.00 C ATOM 783 C ASN A 45 -7.517 8.394 6.079 1.00 1.00 C ATOM 784 O ASN A 45 -8.514 7.696 6.264 1.00 1.00 O ATOM 785 CB ASN A 45 -6.337 7.542 8.136 1.00 1.00 C ATOM 786 CG ASN A 45 -6.646 8.668 9.098 1.00 1.00 C ATOM 787 OD1 ASN A 45 -7.800 9.056 9.275 1.00 1.00 O ATOM 788 ND2 ASN A 45 -5.617 9.182 9.754 1.00 1.00 N ATOM 0 H ASN A 45 -5.303 9.838 7.237 1.00 1.00 H new ATOM 0 HA ASN A 45 -5.780 7.162 6.108 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -7.137 6.804 8.185 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -5.423 7.043 8.456 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -5.767 9.927 10.434 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -4.675 8.833 9.579 1.00 1.00 H new ATOM 795 N ASP A 46 -7.543 9.506 5.353 1.00 1.00 N ATOM 796 CA ASP A 46 -8.700 9.843 4.533 1.00 1.00 C ATOM 797 C ASP A 46 -8.648 8.967 3.296 1.00 1.00 C ATOM 798 O ASP A 46 -9.669 8.591 2.714 1.00 1.00 O ATOM 799 CB ASP A 46 -8.689 11.326 4.150 1.00 1.00 C ATOM 800 CG ASP A 46 -9.968 11.770 3.465 1.00 1.00 C ATOM 801 OD1 ASP A 46 -11.039 11.724 4.110 1.00 1.00 O ATOM 802 OD2 ASP A 46 -9.906 12.202 2.295 1.00 1.00 O ATOM 0 H ASP A 46 -6.782 10.185 5.315 1.00 1.00 H new ATOM 0 HA ASP A 46 -9.621 9.667 5.088 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -8.536 11.926 5.047 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -7.844 11.519 3.490 1.00 1.00 H new ATOM 807 N PHE A 47 -7.421 8.638 2.920 1.00 1.00 N ATOM 808 CA PHE A 47 -7.149 7.635 1.913 1.00 1.00 C ATOM 809 C PHE A 47 -6.847 6.316 2.609 1.00 1.00 C ATOM 810 O PHE A 47 -6.671 6.279 3.829 1.00 1.00 O ATOM 811 CB PHE A 47 -5.950 8.044 1.054 1.00 1.00 C ATOM 812 CG PHE A 47 -6.173 9.270 0.217 1.00 1.00 C ATOM 813 CD1 PHE A 47 -6.095 10.534 0.778 1.00 1.00 C ATOM 814 CD2 PHE A 47 -6.451 9.158 -1.136 1.00 1.00 C ATOM 815 CE1 PHE A 47 -6.295 11.660 0.007 1.00 1.00 C ATOM 816 CE2 PHE A 47 -6.651 10.283 -1.912 1.00 1.00 C ATOM 817 CZ PHE A 47 -6.572 11.536 -1.340 1.00 1.00 C ATOM 0 H PHE A 47 -6.582 9.066 3.311 1.00 1.00 H new ATOM 0 HA PHE A 47 -8.019 7.533 1.264 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -5.094 8.216 1.706 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -5.689 7.214 0.398 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -5.875 10.639 1.830 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -6.512 8.180 -1.589 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -6.235 12.640 0.457 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -6.869 10.182 -2.965 1.00 1.00 H new ATOM 0 HZ PHE A 47 -6.726 12.418 -1.944 1.00 1.00 H new ATOM 827 N GLY A 48 -6.786 5.239 1.854 1.00 1.00 N ATOM 828 CA GLY A 48 -6.476 3.960 2.445 1.00 1.00 C ATOM 829 C GLY A 48 -5.979 2.961 1.431 1.00 1.00 C ATOM 830 O GLY A 48 -6.147 3.151 0.224 1.00 1.00 O ATOM 0 H GLY A 48 -6.944 5.225 0.846 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -5.720 4.094 3.219 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.366 3.564 2.934 1.00 1.00 H new ATOM 834 N LEU A 49 -5.357 1.902 1.923 1.00 1.00 N ATOM 835 CA LEU A 49 -4.905 0.820 1.071 1.00 1.00 C ATOM 836 C LEU A 49 -6.030 -0.182 0.869 1.00 1.00 C ATOM 837 O LEU A 49 -6.613 -0.683 1.833 1.00 1.00 O ATOM 838 CB LEU A 49 -3.687 0.120 1.676 1.00 1.00 C ATOM 839 CG LEU A 49 -2.432 0.984 1.802 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.302 0.184 2.428 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.011 1.526 0.442 1.00 1.00 C ATOM 0 H LEU A 49 -5.154 1.771 2.914 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.615 1.240 0.108 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -3.955 -0.249 2.666 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.449 -0.751 1.065 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.661 1.830 2.450 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.415 0.812 2.512 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.602 -0.154 3.420 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -1.078 -0.680 1.802 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.116 2.138 0.555 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.800 0.695 -0.231 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -2.816 2.133 0.027 1.00 1.00 H new ATOM 853 N PHE A 50 -6.341 -0.451 -0.382 1.00 1.00 N ATOM 854 CA PHE A 50 -7.383 -1.401 -0.719 1.00 1.00 C ATOM 855 C PHE A 50 -6.762 -2.687 -1.244 1.00 1.00 C ATOM 856 O PHE A 50 -6.130 -2.692 -2.303 1.00 1.00 O ATOM 857 CB PHE A 50 -8.330 -0.798 -1.759 1.00 1.00 C ATOM 858 CG PHE A 50 -9.432 -1.722 -2.191 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.577 -1.860 -1.425 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.321 -2.451 -3.364 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.592 -2.710 -1.820 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.329 -3.302 -3.764 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.465 -3.432 -2.993 1.00 1.00 C ATOM 0 H PHE A 50 -5.884 -0.023 -1.187 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.958 -1.632 0.178 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.771 0.111 -1.350 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.752 -0.505 -2.635 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.678 -1.297 -0.509 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.434 -2.351 -3.972 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.481 -2.810 -1.215 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.229 -3.866 -4.680 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.256 -4.098 -3.305 1.00 1.00 H new ATOM 873 N LEU A 51 -6.932 -3.766 -0.495 1.00 1.00 N ATOM 874 CA LEU A 51 -6.389 -5.057 -0.881 1.00 1.00 C ATOM 875 C LEU A 51 -7.252 -5.675 -1.967 1.00 1.00 C ATOM 876 O LEU A 51 -8.401 -6.050 -1.722 1.00 1.00 O ATOM 877 CB LEU A 51 -6.316 -6.000 0.326 1.00 1.00 C ATOM 878 CG LEU A 51 -5.741 -7.390 0.034 1.00 1.00 C ATOM 879 CD1 LEU A 51 -4.326 -7.282 -0.509 1.00 1.00 C ATOM 880 CD2 LEU A 51 -5.763 -8.249 1.290 1.00 1.00 C ATOM 0 H LEU A 51 -7.444 -3.771 0.387 1.00 1.00 H new ATOM 0 HA LEU A 51 -5.379 -4.907 -1.262 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.709 -5.528 1.099 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.319 -6.118 0.736 1.00 1.00 H new ATOM 0 HG LEU A 51 -6.364 -7.866 -0.723 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.936 -8.280 -0.710 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -4.334 -6.703 -1.432 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -3.691 -6.785 0.225 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -5.351 -9.233 1.065 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -5.164 -7.774 2.066 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.790 -8.357 1.639 1.00 1.00 H new ATOM 892 N SER A 52 -6.705 -5.756 -3.166 1.00 1.00 N ATOM 893 CA SER A 52 -7.420 -6.335 -4.285 1.00 1.00 C ATOM 894 C SER A 52 -7.577 -7.839 -4.091 1.00 1.00 C ATOM 895 O SER A 52 -6.684 -8.504 -3.559 1.00 1.00 O ATOM 896 CB SER A 52 -6.669 -6.049 -5.584 1.00 1.00 C ATOM 897 OG SER A 52 -6.295 -4.682 -5.663 1.00 1.00 O ATOM 0 H SER A 52 -5.766 -5.427 -3.389 1.00 1.00 H new ATOM 0 HA SER A 52 -8.412 -5.886 -4.340 1.00 1.00 H new ATOM 0 HB2 SER A 52 -5.780 -6.677 -5.641 1.00 1.00 H new ATOM 0 HB3 SER A 52 -7.297 -6.308 -6.436 1.00 1.00 H new ATOM 0 HG SER A 52 -5.364 -4.580 -5.373 1.00 1.00 H new ATOM 903 N ASP A 53 -8.716 -8.361 -4.502 1.00 1.00 N ATOM 904 CA ASP A 53 -8.973 -9.791 -4.443 1.00 1.00 C ATOM 905 C ASP A 53 -9.341 -10.269 -5.839 1.00 1.00 C ATOM 906 O ASP A 53 -9.573 -9.444 -6.730 1.00 1.00 O ATOM 907 CB ASP A 53 -10.112 -10.089 -3.454 1.00 1.00 C ATOM 908 CG ASP A 53 -10.287 -11.571 -3.157 1.00 1.00 C ATOM 909 OD1 ASP A 53 -11.011 -12.261 -3.912 1.00 1.00 O ATOM 910 OD2 ASP A 53 -9.713 -12.052 -2.157 1.00 1.00 O ATOM 0 H ASP A 53 -9.486 -7.812 -4.884 1.00 1.00 H new ATOM 0 HA ASP A 53 -8.083 -10.316 -4.095 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -9.920 -9.560 -2.521 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -11.045 -9.695 -3.857 1.00 1.00 H new ATOM 915 N ASP A 54 -9.380 -11.579 -6.036 1.00 1.00 N ATOM 916 CA ASP A 54 -9.808 -12.150 -7.309 1.00 1.00 C ATOM 917 C ASP A 54 -11.206 -11.648 -7.662 1.00 1.00 C ATOM 918 O ASP A 54 -11.539 -11.457 -8.832 1.00 1.00 O ATOM 919 CB ASP A 54 -9.792 -13.679 -7.240 1.00 1.00 C ATOM 920 CG ASP A 54 -10.288 -14.322 -8.519 1.00 1.00 C ATOM 921 OD1 ASP A 54 -9.614 -14.180 -9.560 1.00 1.00 O ATOM 922 OD2 ASP A 54 -11.347 -14.987 -8.483 1.00 1.00 O ATOM 0 H ASP A 54 -9.120 -12.269 -5.331 1.00 1.00 H new ATOM 0 HA ASP A 54 -9.114 -11.834 -8.087 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -8.777 -14.020 -7.036 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -10.413 -14.009 -6.407 1.00 1.00 H new ATOM 927 N ASP A 55 -12.011 -11.414 -6.634 1.00 1.00 N ATOM 928 CA ASP A 55 -13.332 -10.835 -6.812 1.00 1.00 C ATOM 929 C ASP A 55 -13.385 -9.457 -6.156 1.00 1.00 C ATOM 930 O ASP A 55 -12.968 -9.298 -5.008 1.00 1.00 O ATOM 931 CB ASP A 55 -14.400 -11.746 -6.212 1.00 1.00 C ATOM 932 CG ASP A 55 -15.807 -11.256 -6.483 1.00 1.00 C ATOM 933 OD1 ASP A 55 -16.278 -10.352 -5.765 1.00 1.00 O ATOM 934 OD2 ASP A 55 -16.457 -11.790 -7.405 1.00 1.00 O ATOM 0 H ASP A 55 -11.769 -11.618 -5.664 1.00 1.00 H new ATOM 0 HA ASP A 55 -13.529 -10.730 -7.879 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -14.285 -12.751 -6.619 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -14.246 -11.819 -5.135 1.00 1.00 H new ATOM 939 N PRO A 56 -13.901 -8.444 -6.874 1.00 1.00 N ATOM 940 CA PRO A 56 -13.937 -7.051 -6.399 1.00 1.00 C ATOM 941 C PRO A 56 -14.694 -6.869 -5.081 1.00 1.00 C ATOM 942 O PRO A 56 -14.365 -5.984 -4.285 1.00 1.00 O ATOM 943 CB PRO A 56 -14.653 -6.297 -7.527 1.00 1.00 C ATOM 944 CG PRO A 56 -15.348 -7.349 -8.321 1.00 1.00 C ATOM 945 CD PRO A 56 -14.487 -8.571 -8.219 1.00 1.00 C ATOM 0 HA PRO A 56 -12.930 -6.690 -6.187 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -15.362 -5.572 -7.128 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -13.944 -5.743 -8.142 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -16.347 -7.540 -7.928 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -15.468 -7.040 -9.359 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -15.070 -9.486 -8.322 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -13.721 -8.592 -8.994 1.00 1.00 H new ATOM 953 N LYS A 57 -15.688 -7.715 -4.831 1.00 1.00 N ATOM 954 CA LYS A 57 -16.506 -7.575 -3.634 1.00 1.00 C ATOM 955 C LYS A 57 -15.753 -8.113 -2.425 1.00 1.00 C ATOM 956 O LYS A 57 -15.997 -7.711 -1.285 1.00 1.00 O ATOM 957 CB LYS A 57 -17.841 -8.303 -3.805 1.00 1.00 C ATOM 958 CG LYS A 57 -18.799 -8.097 -2.645 1.00 1.00 C ATOM 959 CD LYS A 57 -20.127 -8.796 -2.880 1.00 1.00 C ATOM 960 CE LYS A 57 -21.058 -8.623 -1.693 1.00 1.00 C ATOM 961 NZ LYS A 57 -20.524 -9.273 -0.469 1.00 1.00 N ATOM 0 H LYS A 57 -15.944 -8.496 -5.435 1.00 1.00 H new ATOM 0 HA LYS A 57 -16.716 -6.517 -3.475 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -18.317 -7.960 -4.724 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -17.651 -9.370 -3.923 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -18.346 -8.475 -1.728 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -18.970 -7.030 -2.500 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -20.599 -8.394 -3.777 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -19.955 -9.857 -3.059 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -21.210 -7.560 -1.503 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -22.033 -9.046 -1.932 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -21.277 -9.341 0.245 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -20.182 -10.227 -0.704 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -19.738 -8.707 -0.090 1.00 1.00 H new ATOM 975 N LYS A 58 -14.818 -9.014 -2.686 1.00 1.00 N ATOM 976 CA LYS A 58 -13.992 -9.590 -1.640 1.00 1.00 C ATOM 977 C LYS A 58 -12.769 -8.720 -1.367 1.00 1.00 C ATOM 978 O LYS A 58 -11.943 -9.043 -0.513 1.00 1.00 O ATOM 979 CB LYS A 58 -13.571 -11.005 -2.027 1.00 1.00 C ATOM 980 CG LYS A 58 -14.455 -12.094 -1.439 1.00 1.00 C ATOM 981 CD LYS A 58 -15.931 -11.888 -1.747 1.00 1.00 C ATOM 982 CE LYS A 58 -16.257 -12.214 -3.194 1.00 1.00 C ATOM 983 NZ LYS A 58 -15.898 -13.614 -3.547 1.00 1.00 N ATOM 0 H LYS A 58 -14.613 -9.363 -3.622 1.00 1.00 H new ATOM 0 HA LYS A 58 -14.579 -9.636 -0.723 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -13.579 -11.091 -3.114 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -12.544 -11.170 -1.702 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -14.139 -13.062 -1.829 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -14.315 -12.125 -0.358 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -16.531 -12.517 -1.089 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -16.205 -10.854 -1.537 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -17.321 -12.058 -3.369 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -15.722 -11.527 -3.849 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -16.675 -14.046 -4.086 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -15.034 -13.615 -4.125 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -15.734 -14.160 -2.677 1.00 1.00 H new ATOM 997 N GLY A 59 -12.655 -7.621 -2.104 1.00 1.00 N ATOM 998 CA GLY A 59 -11.610 -6.656 -1.835 1.00 1.00 C ATOM 999 C GLY A 59 -11.865 -5.932 -0.531 1.00 1.00 C ATOM 1000 O GLY A 59 -12.983 -5.462 -0.289 1.00 1.00 O ATOM 0 H GLY A 59 -13.269 -7.383 -2.883 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -10.645 -7.161 -1.792 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -11.556 -5.935 -2.651 1.00 1.00 H new ATOM 1004 N ILE A 60 -10.849 -5.835 0.310 1.00 1.00 N ATOM 1005 CA ILE A 60 -11.031 -5.300 1.652 1.00 1.00 C ATOM 1006 C ILE A 60 -10.085 -4.141 1.939 1.00 1.00 C ATOM 1007 O ILE A 60 -9.038 -3.999 1.305 1.00 1.00 O ATOM 1008 CB ILE A 60 -10.812 -6.386 2.729 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -9.398 -6.973 2.615 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -11.869 -7.477 2.609 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -9.080 -8.011 3.670 1.00 1.00 C ATOM 0 H ILE A 60 -9.894 -6.118 0.091 1.00 1.00 H new ATOM 0 HA ILE A 60 -12.059 -4.941 1.694 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.911 -5.928 3.713 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -9.280 -7.423 1.629 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -8.672 -6.163 2.685 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -11.700 -8.234 3.375 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.859 -7.041 2.742 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -11.806 -7.938 1.623 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -8.064 -8.379 3.524 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -9.164 -7.562 4.660 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -9.782 -8.841 3.587 1.00 1.00 H new ATOM 1023 N TRP A 61 -10.475 -3.315 2.895 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.621 -2.255 3.402 1.00 1.00 C ATOM 1025 C TRP A 61 -8.726 -2.806 4.508 1.00 1.00 C ATOM 1026 O TRP A 61 -9.213 -3.458 5.436 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.468 -1.107 3.948 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.244 -0.376 2.902 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.527 -0.620 2.528 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.792 0.720 2.104 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.914 0.266 1.551 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.863 1.101 1.273 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.588 1.419 2.015 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.762 2.152 0.368 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.492 2.460 1.112 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.570 2.819 0.305 1.00 1.00 C ATOM 0 H TRP A 61 -11.391 -3.360 3.341 1.00 1.00 H new ATOM 0 HA TRP A 61 -9.003 -1.878 2.587 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -11.161 -1.501 4.691 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.817 -0.401 4.463 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -13.153 -1.398 2.939 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.831 0.297 1.106 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.748 1.152 2.639 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.594 2.431 -0.262 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.564 3.006 1.030 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.462 3.642 -0.385 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.429 -2.560 4.403 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.480 -3.047 5.398 1.00 1.00 C ATOM 1049 C LEU A 62 -6.578 -2.223 6.678 1.00 1.00 C ATOM 1050 O LEU A 62 -6.792 -1.010 6.628 1.00 1.00 O ATOM 1051 CB LEU A 62 -5.042 -3.002 4.867 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.706 -3.975 3.732 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -5.300 -3.506 2.417 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -3.201 -4.141 3.603 1.00 1.00 C ATOM 0 H LEU A 62 -7.008 -2.028 3.642 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.736 -4.084 5.615 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.837 -1.989 4.521 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.364 -3.199 5.698 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.146 -4.942 3.976 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -5.046 -4.215 1.629 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -6.384 -3.440 2.510 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.897 -2.525 2.165 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.980 -4.835 2.792 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.745 -3.174 3.388 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.797 -4.533 4.537 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.424 -2.883 7.816 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.498 -2.206 9.104 1.00 1.00 C ATOM 1068 C GLU A 63 -5.182 -1.509 9.426 1.00 1.00 C ATOM 1069 O GLU A 63 -4.107 -2.075 9.234 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.851 -3.196 10.212 1.00 1.00 C ATOM 1071 CG GLU A 63 -8.216 -3.840 10.042 1.00 1.00 C ATOM 1072 CD GLU A 63 -8.640 -4.638 11.256 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -8.219 -5.806 11.388 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -9.406 -4.102 12.083 1.00 1.00 O ATOM 0 H GLU A 63 -6.247 -3.886 7.875 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.283 -1.453 9.043 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -6.092 -3.977 10.245 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.819 -2.680 11.172 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.957 -3.065 9.845 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -8.199 -4.494 9.170 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.288 -0.285 9.929 1.00 1.00 N ATOM 1082 CA ALA A 64 -4.129 0.555 10.216 1.00 1.00 C ATOM 1083 C ALA A 64 -3.126 -0.136 11.134 1.00 1.00 C ATOM 1084 O ALA A 64 -1.919 -0.090 10.893 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.591 1.860 10.843 1.00 1.00 C ATOM 0 H ALA A 64 -6.181 0.155 10.150 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.621 0.751 9.272 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.726 2.487 11.057 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -5.254 2.381 10.152 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.125 1.649 11.770 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.631 -0.793 12.169 1.00 1.00 N ATOM 1092 CA GLY A 65 -2.770 -1.384 13.174 1.00 1.00 C ATOM 1093 C GLY A 65 -2.148 -2.699 12.743 1.00 1.00 C ATOM 1094 O GLY A 65 -1.438 -3.337 13.525 1.00 1.00 O ATOM 0 H GLY A 65 -4.629 -0.928 12.331 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -1.976 -0.679 13.420 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.346 -1.545 14.085 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.408 -3.113 11.512 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.835 -4.346 10.991 1.00 1.00 C ATOM 1100 C LYS A 66 -0.617 -4.038 10.126 1.00 1.00 C ATOM 1101 O LYS A 66 -0.449 -2.913 9.651 1.00 1.00 O ATOM 1102 CB LYS A 66 -2.876 -5.121 10.179 1.00 1.00 C ATOM 1103 CG LYS A 66 -4.186 -5.344 10.919 1.00 1.00 C ATOM 1104 CD LYS A 66 -4.000 -6.176 12.177 1.00 1.00 C ATOM 1105 CE LYS A 66 -5.259 -6.165 13.030 1.00 1.00 C ATOM 1106 NZ LYS A 66 -5.084 -6.911 14.304 1.00 1.00 N ATOM 0 H LYS A 66 -3.010 -2.615 10.856 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.522 -4.963 11.833 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.079 -4.580 9.254 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.458 -6.088 9.898 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.620 -4.380 11.184 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.895 -5.842 10.257 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.750 -7.201 11.905 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -3.162 -5.786 12.755 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -5.537 -5.134 13.250 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -6.082 -6.603 12.465 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -5.968 -6.876 14.851 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -4.845 -7.902 14.096 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -4.317 -6.478 14.857 1.00 1.00 H new ATOM 1120 N ALA A 67 0.236 -5.034 9.942 1.00 1.00 N ATOM 1121 CA ALA A 67 1.420 -4.884 9.109 1.00 1.00 C ATOM 1122 C ALA A 67 1.165 -5.442 7.714 1.00 1.00 C ATOM 1123 O ALA A 67 0.205 -6.183 7.499 1.00 1.00 O ATOM 1124 CB ALA A 67 2.611 -5.579 9.753 1.00 1.00 C ATOM 0 H ALA A 67 0.130 -5.958 10.360 1.00 1.00 H new ATOM 0 HA ALA A 67 1.647 -3.822 9.017 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.489 -5.458 9.119 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.806 -5.137 10.730 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.392 -6.640 9.872 1.00 1.00 H new ATOM 1130 N LEU A 68 2.027 -5.091 6.771 1.00 1.00 N ATOM 1131 CA LEU A 68 1.875 -5.538 5.390 1.00 1.00 C ATOM 1132 C LEU A 68 2.086 -7.044 5.269 1.00 1.00 C ATOM 1133 O LEU A 68 1.331 -7.735 4.583 1.00 1.00 O ATOM 1134 CB LEU A 68 2.857 -4.804 4.479 1.00 1.00 C ATOM 1135 CG LEU A 68 2.749 -3.278 4.494 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.725 -2.680 3.500 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.327 -2.829 4.187 1.00 1.00 C ATOM 0 H LEU A 68 2.840 -4.498 6.935 1.00 1.00 H new ATOM 0 HA LEU A 68 0.856 -5.307 5.079 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.871 -5.083 4.766 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.708 -5.152 3.457 1.00 1.00 H new ATOM 0 HG LEU A 68 3.002 -2.923 5.493 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.642 -1.593 3.517 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.741 -2.970 3.768 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.495 -3.046 2.499 1.00 1.00 H new ATOM 0 HD21 LEU A 68 1.278 -1.740 4.204 1.00 1.00 H new ATOM 0 HD22 LEU A 68 1.036 -3.190 3.200 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.648 -3.235 4.937 1.00 1.00 H new ATOM 1149 N ASP A 69 3.107 -7.553 5.952 1.00 1.00 N ATOM 1150 CA ASP A 69 3.427 -8.978 5.899 1.00 1.00 C ATOM 1151 C ASP A 69 2.322 -9.801 6.558 1.00 1.00 C ATOM 1152 O ASP A 69 2.143 -10.981 6.259 1.00 1.00 O ATOM 1153 CB ASP A 69 4.769 -9.250 6.583 1.00 1.00 C ATOM 1154 CG ASP A 69 5.228 -10.684 6.406 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.827 -10.996 5.359 1.00 1.00 O ATOM 1156 OD2 ASP A 69 4.993 -11.507 7.317 1.00 1.00 O ATOM 0 H ASP A 69 3.726 -7.003 6.547 1.00 1.00 H new ATOM 0 HA ASP A 69 3.502 -9.274 4.853 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.524 -8.577 6.176 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.683 -9.028 7.647 1.00 1.00 H new ATOM 1161 N TYR A 70 1.567 -9.152 7.438 1.00 1.00 N ATOM 1162 CA TYR A 70 0.434 -9.779 8.108 1.00 1.00 C ATOM 1163 C TYR A 70 -0.606 -10.216 7.083 1.00 1.00 C ATOM 1164 O TYR A 70 -1.248 -11.259 7.221 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.197 -8.793 9.087 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.288 -9.390 9.941 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -0.991 -10.326 10.922 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -2.616 -9.015 9.772 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -1.982 -10.874 11.709 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -3.613 -9.559 10.557 1.00 1.00 C ATOM 1171 CZ TYR A 70 -3.290 -10.487 11.523 1.00 1.00 C ATOM 1172 OH TYR A 70 -4.280 -11.035 12.307 1.00 1.00 O ATOM 0 H TYR A 70 1.723 -8.180 7.706 1.00 1.00 H new ATOM 0 HA TYR A 70 0.788 -10.655 8.652 1.00 1.00 H new ATOM 0 HB2 TYR A 70 0.582 -8.394 9.737 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -0.607 -7.953 8.527 1.00 1.00 H new ATOM 0 HD1 TYR A 70 0.034 -10.630 11.072 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -2.871 -8.288 9.016 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -1.733 -11.602 12.467 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -4.641 -9.259 10.415 1.00 1.00 H new ATOM 0 HH TYR A 70 -5.147 -10.656 12.051 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.754 -9.405 6.050 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.687 -9.684 4.972 1.00 1.00 C ATOM 1184 C TYR A 71 -1.008 -10.503 3.878 1.00 1.00 C ATOM 1185 O TYR A 71 -1.576 -10.716 2.806 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.215 -8.369 4.399 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.212 -7.661 5.288 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -4.562 -7.992 5.258 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -2.805 -6.649 6.147 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -5.477 -7.334 6.060 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -3.713 -5.990 6.954 1.00 1.00 C ATOM 1192 CZ TYR A 71 -5.046 -6.335 6.906 1.00 1.00 C ATOM 1193 OH TYR A 71 -5.952 -5.672 7.704 1.00 1.00 O ATOM 0 H TYR A 71 -0.232 -8.536 5.935 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.522 -10.264 5.366 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.373 -7.702 4.214 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.682 -8.568 3.434 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -4.902 -8.776 4.598 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -1.762 -6.372 6.185 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -6.523 -7.601 6.023 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -3.379 -5.208 7.620 1.00 1.00 H new ATOM 0 HH TYR A 71 -6.156 -6.219 8.491 1.00 1.00 H new ATOM 1203 N MET A 72 0.211 -10.961 4.171 1.00 1.00 N ATOM 1204 CA MET A 72 1.011 -11.748 3.232 1.00 1.00 C ATOM 1205 C MET A 72 1.304 -10.972 1.957 1.00 1.00 C ATOM 1206 O MET A 72 1.472 -11.560 0.890 1.00 1.00 O ATOM 1207 CB MET A 72 0.323 -13.077 2.897 1.00 1.00 C ATOM 1208 CG MET A 72 0.383 -14.089 4.024 1.00 1.00 C ATOM 1209 SD MET A 72 -0.287 -15.696 3.550 1.00 1.00 S ATOM 1210 CE MET A 72 0.165 -16.675 4.980 1.00 1.00 C ATOM 0 H MET A 72 0.671 -10.796 5.066 1.00 1.00 H new ATOM 0 HA MET A 72 1.960 -11.963 3.723 1.00 1.00 H new ATOM 0 HB2 MET A 72 -0.720 -12.884 2.647 1.00 1.00 H new ATOM 0 HB3 MET A 72 0.789 -13.505 2.010 1.00 1.00 H new ATOM 0 HG2 MET A 72 1.418 -14.211 4.343 1.00 1.00 H new ATOM 0 HG3 MET A 72 -0.172 -13.707 4.881 1.00 1.00 H new ATOM 0 HE1 MET A 72 -0.180 -17.700 4.843 1.00 1.00 H new ATOM 0 HE2 MET A 72 1.249 -16.669 5.097 1.00 1.00 H new ATOM 0 HE3 MET A 72 -0.299 -16.253 5.871 1.00 1.00 H new ATOM 1220 N LEU A 73 1.380 -9.652 2.072 1.00 1.00 N ATOM 1221 CA LEU A 73 1.711 -8.813 0.932 1.00 1.00 C ATOM 1222 C LEU A 73 3.133 -9.097 0.476 1.00 1.00 C ATOM 1223 O LEU A 73 4.052 -9.191 1.294 1.00 1.00 O ATOM 1224 CB LEU A 73 1.546 -7.335 1.283 1.00 1.00 C ATOM 1225 CG LEU A 73 0.117 -6.912 1.629 1.00 1.00 C ATOM 1226 CD1 LEU A 73 0.072 -5.439 1.994 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -0.818 -7.199 0.465 1.00 1.00 C ATOM 0 H LEU A 73 1.217 -9.143 2.941 1.00 1.00 H new ATOM 0 HA LEU A 73 1.026 -9.045 0.117 1.00 1.00 H new ATOM 0 HB2 LEU A 73 2.193 -7.103 2.129 1.00 1.00 H new ATOM 0 HB3 LEU A 73 1.893 -6.735 0.442 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.215 -7.491 2.491 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.952 -5.156 2.237 1.00 1.00 H new ATOM 0 HD12 LEU A 73 0.713 -5.258 2.857 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.423 -4.844 1.150 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -1.831 -6.892 0.727 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.487 -6.644 -0.413 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.808 -8.266 0.245 1.00 1.00 H new ATOM 1239 N ARG A 74 3.303 -9.263 -0.825 1.00 1.00 N ATOM 1240 CA ARG A 74 4.587 -9.635 -1.391 1.00 1.00 C ATOM 1241 C ARG A 74 4.843 -8.864 -2.679 1.00 1.00 C ATOM 1242 O ARG A 74 4.015 -8.054 -3.103 1.00 1.00 O ATOM 1243 CB ARG A 74 4.621 -11.147 -1.654 1.00 1.00 C ATOM 1244 CG ARG A 74 4.483 -11.976 -0.387 1.00 1.00 C ATOM 1245 CD ARG A 74 4.379 -13.465 -0.675 1.00 1.00 C ATOM 1246 NE ARG A 74 4.274 -14.238 0.564 1.00 1.00 N ATOM 1247 CZ ARG A 74 3.821 -15.487 0.643 1.00 1.00 C ATOM 1248 NH1 ARG A 74 3.433 -16.135 -0.450 1.00 1.00 N ATOM 1249 NH2 ARG A 74 3.759 -16.088 1.823 1.00 1.00 N ATOM 0 H ARG A 74 2.560 -9.145 -1.514 1.00 1.00 H new ATOM 0 HA ARG A 74 5.374 -9.383 -0.680 1.00 1.00 H new ATOM 0 HB2 ARG A 74 3.817 -11.408 -2.341 1.00 1.00 H new ATOM 0 HB3 ARG A 74 5.558 -11.403 -2.148 1.00 1.00 H new ATOM 0 HG2 ARG A 74 5.342 -11.793 0.259 1.00 1.00 H new ATOM 0 HG3 ARG A 74 3.598 -11.652 0.161 1.00 1.00 H new ATOM 0 HD2 ARG A 74 3.508 -13.657 -1.301 1.00 1.00 H new ATOM 0 HD3 ARG A 74 5.254 -13.791 -1.237 1.00 1.00 H new ATOM 0 HE ARG A 74 4.570 -13.786 1.430 1.00 1.00 H new ATOM 0 HH11 ARG A 74 3.481 -15.675 -1.359 1.00 1.00 H new ATOM 0 HH12 ARG A 74 3.087 -17.092 -0.380 1.00 1.00 H new ATOM 0 HH21 ARG A 74 4.057 -15.593 2.664 1.00 1.00 H new ATOM 0 HH22 ARG A 74 3.413 -17.045 1.890 1.00 1.00 H new ATOM 1263 N ASN A 75 5.986 -9.120 -3.298 1.00 1.00 N ATOM 1264 CA ASN A 75 6.358 -8.439 -4.531 1.00 1.00 C ATOM 1265 C ASN A 75 5.421 -8.849 -5.658 1.00 1.00 C ATOM 1266 O ASN A 75 5.299 -10.034 -5.974 1.00 1.00 O ATOM 1267 CB ASN A 75 7.808 -8.760 -4.921 1.00 1.00 C ATOM 1268 CG ASN A 75 8.823 -8.270 -3.904 1.00 1.00 C ATOM 1269 OD1 ASN A 75 9.307 -7.140 -3.986 1.00 1.00 O ATOM 1270 ND2 ASN A 75 9.160 -9.115 -2.943 1.00 1.00 N ATOM 0 H ASN A 75 6.674 -9.796 -2.966 1.00 1.00 H new ATOM 0 HA ASN A 75 6.275 -7.365 -4.363 1.00 1.00 H new ATOM 0 HB2 ASN A 75 7.915 -9.838 -5.041 1.00 1.00 H new ATOM 0 HB3 ASN A 75 8.026 -8.308 -5.889 1.00 1.00 H new ATOM 0 HD21 ASN A 75 9.842 -8.839 -2.237 1.00 1.00 H new ATOM 0 HD22 ASN A 75 8.737 -10.043 -2.908 1.00 1.00 H new ATOM 1277 N GLY A 76 4.744 -7.875 -6.244 1.00 1.00 N ATOM 1278 CA GLY A 76 3.854 -8.151 -7.352 1.00 1.00 C ATOM 1279 C GLY A 76 2.396 -7.926 -7.005 1.00 1.00 C ATOM 1280 O GLY A 76 1.539 -7.914 -7.890 1.00 1.00 O ATOM 0 H GLY A 76 4.795 -6.894 -5.971 1.00 1.00 H new ATOM 0 HA2 GLY A 76 4.124 -7.516 -8.196 1.00 1.00 H new ATOM 0 HA3 GLY A 76 3.991 -9.183 -7.674 1.00 1.00 H new ATOM 1284 N ASP A 77 2.111 -7.743 -5.719 1.00 1.00 N ATOM 1285 CA ASP A 77 0.738 -7.523 -5.267 1.00 1.00 C ATOM 1286 C ASP A 77 0.215 -6.176 -5.732 1.00 1.00 C ATOM 1287 O ASP A 77 0.987 -5.295 -6.094 1.00 1.00 O ATOM 1288 CB ASP A 77 0.629 -7.627 -3.744 1.00 1.00 C ATOM 1289 CG ASP A 77 0.398 -9.049 -3.289 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -0.579 -9.670 -3.759 1.00 1.00 O ATOM 1291 OD2 ASP A 77 1.190 -9.561 -2.476 1.00 1.00 O ATOM 0 H ASP A 77 2.807 -7.742 -4.974 1.00 1.00 H new ATOM 0 HA ASP A 77 0.125 -8.307 -5.712 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.542 -7.244 -3.288 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.189 -6.997 -3.395 1.00 1.00 H new ATOM 1296 N THR A 78 -1.098 -6.021 -5.726 1.00 1.00 N ATOM 1297 CA THR A 78 -1.720 -4.798 -6.196 1.00 1.00 C ATOM 1298 C THR A 78 -2.727 -4.271 -5.179 1.00 1.00 C ATOM 1299 O THR A 78 -3.689 -4.955 -4.825 1.00 1.00 O ATOM 1300 CB THR A 78 -2.426 -5.029 -7.546 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.534 -5.698 -8.450 1.00 1.00 O ATOM 1302 CG2 THR A 78 -2.878 -3.712 -8.161 1.00 1.00 C ATOM 0 H THR A 78 -1.754 -6.730 -5.399 1.00 1.00 H new ATOM 0 HA THR A 78 -0.931 -4.057 -6.327 1.00 1.00 H new ATOM 0 HB THR A 78 -3.306 -5.647 -7.369 1.00 1.00 H new ATOM 0 HG1 THR A 78 -1.986 -5.845 -9.307 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.373 -3.906 -9.113 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.573 -3.215 -7.485 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.012 -3.071 -8.326 1.00 1.00 H new ATOM 1310 N MET A 79 -2.497 -3.058 -4.701 1.00 1.00 N ATOM 1311 CA MET A 79 -3.420 -2.411 -3.782 1.00 1.00 C ATOM 1312 C MET A 79 -3.773 -1.029 -4.293 1.00 1.00 C ATOM 1313 O MET A 79 -2.910 -0.301 -4.776 1.00 1.00 O ATOM 1314 CB MET A 79 -2.834 -2.291 -2.374 1.00 1.00 C ATOM 1315 CG MET A 79 -2.601 -3.620 -1.679 1.00 1.00 C ATOM 1316 SD MET A 79 -2.231 -3.420 0.071 1.00 1.00 S ATOM 1317 CE MET A 79 -0.874 -2.259 -0.018 1.00 1.00 C ATOM 0 H MET A 79 -1.676 -2.500 -4.935 1.00 1.00 H new ATOM 0 HA MET A 79 -4.314 -3.032 -3.726 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.887 -1.754 -2.432 1.00 1.00 H new ATOM 0 HB3 MET A 79 -3.506 -1.688 -1.764 1.00 1.00 H new ATOM 0 HG2 MET A 79 -3.486 -4.246 -1.792 1.00 1.00 H new ATOM 0 HG3 MET A 79 -1.777 -4.142 -2.165 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.231 -2.383 0.854 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.296 -2.443 -0.924 1.00 1.00 H new ATOM 0 HE3 MET A 79 -1.266 -1.242 -0.038 1.00 1.00 H new ATOM 1327 N GLU A 80 -5.034 -0.673 -4.185 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.488 0.632 -4.626 1.00 1.00 C ATOM 1329 C GLU A 80 -5.437 1.626 -3.471 1.00 1.00 C ATOM 1330 O GLU A 80 -6.282 1.588 -2.578 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.914 0.540 -5.170 1.00 1.00 C ATOM 1332 CG GLU A 80 -7.055 -0.395 -6.359 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.487 -0.519 -6.834 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -8.941 0.350 -7.609 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -9.165 -1.486 -6.438 1.00 1.00 O ATOM 0 H GLU A 80 -5.766 -1.268 -3.796 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.828 0.979 -5.421 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.576 0.202 -4.373 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.247 1.536 -5.461 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -6.434 -0.032 -7.178 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.679 -1.382 -6.088 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.426 2.488 -3.468 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.389 3.591 -2.518 1.00 1.00 C ATOM 1344 C TYR A 81 -5.362 4.651 -3.002 1.00 1.00 C ATOM 1345 O TYR A 81 -5.097 5.373 -3.961 1.00 1.00 O ATOM 1346 CB TYR A 81 -2.965 4.157 -2.372 1.00 1.00 C ATOM 1347 CG TYR A 81 -2.844 5.330 -1.425 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -2.590 5.137 -0.076 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -2.958 6.634 -1.891 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -2.457 6.209 0.784 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -2.828 7.709 -1.039 1.00 1.00 C ATOM 1352 CZ TYR A 81 -2.576 7.495 0.298 1.00 1.00 C ATOM 1353 OH TYR A 81 -2.444 8.567 1.150 1.00 1.00 O ATOM 0 H TYR A 81 -3.631 2.445 -4.105 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.681 3.242 -1.528 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.306 3.360 -2.028 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -2.608 4.463 -3.355 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -2.495 4.132 0.308 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -3.152 6.808 -2.939 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -2.261 6.042 1.833 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -2.923 8.716 -1.418 1.00 1.00 H new ATOM 0 HH TYR A 81 -2.555 9.401 0.647 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.502 4.714 -2.346 1.00 1.00 N ATOM 1364 CA ARG A 82 -7.614 5.508 -2.829 1.00 1.00 C ATOM 1365 C ARG A 82 -8.294 6.227 -1.677 1.00 1.00 C ATOM 1366 O ARG A 82 -8.082 5.884 -0.514 1.00 1.00 O ATOM 1367 CB ARG A 82 -8.605 4.589 -3.548 1.00 1.00 C ATOM 1368 CG ARG A 82 -9.118 3.464 -2.664 1.00 1.00 C ATOM 1369 CD ARG A 82 -9.700 2.318 -3.473 1.00 1.00 C ATOM 1370 NE ARG A 82 -10.902 2.695 -4.213 1.00 1.00 N ATOM 1371 CZ ARG A 82 -11.602 1.838 -4.956 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -11.206 0.575 -5.059 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -12.691 2.234 -5.599 1.00 1.00 N ATOM 0 H ARG A 82 -6.684 4.222 -1.471 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.247 6.263 -3.525 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -9.450 5.180 -3.902 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -8.124 4.162 -4.428 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.303 3.091 -2.044 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.880 3.853 -1.989 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -8.947 1.956 -4.173 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -9.937 1.491 -2.803 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.221 3.662 -4.158 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -10.367 0.262 -4.570 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -11.740 -0.082 -5.627 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -13.001 3.203 -5.528 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -13.219 1.570 -6.165 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.105 7.219 -2.001 1.00 1.00 N ATOM 1388 CA LYS A 83 -9.799 7.994 -0.990 1.00 1.00 C ATOM 1389 C LYS A 83 -10.998 7.206 -0.476 1.00 1.00 C ATOM 1390 O LYS A 83 -11.891 6.839 -1.244 1.00 1.00 O ATOM 1391 CB LYS A 83 -10.219 9.355 -1.572 1.00 1.00 C ATOM 1392 CG LYS A 83 -10.774 10.343 -0.552 1.00 1.00 C ATOM 1393 CD LYS A 83 -12.234 10.065 -0.238 1.00 1.00 C ATOM 1394 CE LYS A 83 -12.794 11.049 0.773 1.00 1.00 C ATOM 1395 NZ LYS A 83 -14.179 10.689 1.179 1.00 1.00 N ATOM 0 H LYS A 83 -9.299 7.507 -2.960 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.135 8.185 -0.147 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -9.356 9.807 -2.062 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -10.972 9.188 -2.342 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.187 10.287 0.365 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -10.671 11.358 -0.935 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -12.819 10.116 -1.156 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.335 9.051 0.148 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.151 11.073 1.653 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -12.788 12.052 0.347 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -14.505 11.343 1.920 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -14.811 10.756 0.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -14.191 9.716 1.546 1.00 1.00 H new ATOM 1409 N LYS A 84 -10.998 6.933 0.823 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.073 6.179 1.457 1.00 1.00 C ATOM 1411 C LYS A 84 -13.371 6.971 1.417 1.00 1.00 C ATOM 1412 O LYS A 84 -13.401 8.131 1.824 1.00 1.00 O ATOM 1413 CB LYS A 84 -11.718 5.881 2.913 1.00 1.00 C ATOM 1414 CG LYS A 84 -10.420 5.115 3.090 1.00 1.00 C ATOM 1415 CD LYS A 84 -10.049 4.989 4.558 1.00 1.00 C ATOM 1416 CE LYS A 84 -11.142 4.298 5.355 1.00 1.00 C ATOM 1417 NZ LYS A 84 -10.794 4.202 6.795 1.00 1.00 N ATOM 0 H LYS A 84 -10.259 7.225 1.463 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.202 5.244 0.911 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -11.649 6.822 3.459 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -12.529 5.309 3.364 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.518 4.122 2.651 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -9.619 5.623 2.553 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -9.120 4.427 4.652 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -9.866 5.980 4.974 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -12.077 4.847 5.242 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -11.309 3.298 4.953 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -11.563 3.725 7.307 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -9.915 3.657 6.904 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -10.660 5.157 7.184 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.436 6.353 0.927 1.00 1.00 N ATOM 1432 CA GLN A 85 -15.733 7.010 0.870 1.00 1.00 C ATOM 1433 C GLN A 85 -16.201 7.358 2.280 1.00 1.00 C ATOM 1434 O GLN A 85 -16.528 6.427 3.045 1.00 1.00 O ATOM 1435 CB GLN A 85 -16.759 6.120 0.161 1.00 1.00 C ATOM 1436 CG GLN A 85 -18.144 6.744 0.037 1.00 1.00 C ATOM 1437 CD GLN A 85 -18.128 8.080 -0.683 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -18.229 8.143 -1.910 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -18.023 9.159 0.077 1.00 1.00 N ATOM 1440 OXT GLN A 85 -16.221 8.559 2.616 1.00 1.00 O ATOM 0 H GLN A 85 -14.427 5.400 0.564 1.00 1.00 H new ATOM 0 HA GLN A 85 -15.636 7.932 0.296 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -16.389 5.881 -0.836 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -16.844 5.178 0.704 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -18.800 6.057 -0.498 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -18.567 6.879 1.033 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -17.941 9.064 1.089 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -18.024 10.085 -0.350 1.00 1.00 H new TER 1449 GLN A 85