USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 706 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 67 GLN : amide:sc= -5.79! C(o=-9!,f=-13!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -3.23 K(o=-9,f=-11!) USER MOD Set 2.1: A 12 HIS :FLIP no HD1:sc= -3! C(o=-14!,f=-11!) USER MOD Set 2.2: A 37 MET CE :methyl -127:sc= -8.22! (180deg=-9.15!) USER MOD Set 3.1: A 7 TYR OH : rot 180:sc= -0.608 USER MOD Set 3.2: A 65 MET CE :methyl -116:sc= -1.24 (180deg=-6.34!) USER MOD Single : A 1 MET CE :methyl 155:sc= -0.33 (180deg=-1.29) USER MOD Single : A 1 MET N :NH3+ 129:sc= 1.16 (180deg=0.101) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= 0.139 (180deg=0.108) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 9 SER OG : rot 70:sc= 1.2 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0399) USER MOD Single : A 14 CYS SG : rot -158:sc= 0.104 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0868 F(o=-1.4,f=-0.087) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 82:sc= 0.965 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -10.6! C(o=-11!,f=-14!) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.556 F(o=-1.5,f=-0.56) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= 1.15 (180deg=0.817) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 60 GLN : amide:sc= -6.85! C(o=-6.8!,f=-16!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.508 -0.723 11.645 1.00 0.00 N ATOM 2 CA MET A 1 2.366 -1.640 10.854 1.00 0.00 C ATOM 3 C MET A 1 2.287 -1.311 9.369 1.00 0.00 C ATOM 4 O MET A 1 1.541 -0.418 8.965 1.00 0.00 O ATOM 5 CB MET A 1 1.976 -3.088 11.144 1.00 0.00 C ATOM 6 CG MET A 1 3.101 -4.076 10.860 1.00 0.00 C ATOM 7 SD MET A 1 4.702 -3.564 11.520 1.00 0.00 S ATOM 8 CE MET A 1 5.405 -5.149 11.971 1.00 0.00 C ATOM 0 H1 MET A 1 0.892 -1.279 12.273 1.00 0.00 H new ATOM 0 H2 MET A 1 2.107 -0.093 12.216 1.00 0.00 H new ATOM 0 H3 MET A 1 0.922 -0.154 11.001 1.00 0.00 H new ATOM 0 HA MET A 1 3.406 -1.506 11.150 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.678 -3.176 12.189 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.107 -3.352 10.541 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.837 -5.045 11.283 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.189 -4.212 9.782 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.493 -5.079 11.968 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.062 -5.429 12.967 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.088 -5.905 11.253 1.00 0.00 H new ATOM 20 N PHE A 2 3.094 -2.001 8.564 1.00 0.00 N ATOM 21 CA PHE A 2 3.155 -1.748 7.128 1.00 0.00 C ATOM 22 C PHE A 2 1.780 -1.479 6.548 1.00 0.00 C ATOM 23 O PHE A 2 0.925 -2.360 6.462 1.00 0.00 O ATOM 24 CB PHE A 2 3.789 -2.933 6.421 1.00 0.00 C ATOM 25 CG PHE A 2 5.123 -3.306 6.991 1.00 0.00 C ATOM 26 CD1 PHE A 2 6.255 -2.589 6.647 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.246 -4.369 7.868 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.487 -2.923 7.166 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.477 -4.713 8.390 1.00 0.00 C ATOM 30 CZ PHE A 2 7.600 -3.988 8.039 1.00 0.00 C ATOM 0 H PHE A 2 3.717 -2.742 8.885 1.00 0.00 H new ATOM 0 HA PHE A 2 3.764 -0.858 6.972 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.119 -3.790 6.487 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.904 -2.699 5.363 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.172 -1.757 5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.370 -4.936 8.147 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.362 -2.354 6.891 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.562 -5.547 9.071 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.564 -4.253 8.446 1.00 0.00 H new ATOM 40 N LYS A 3 1.594 -0.230 6.169 1.00 0.00 N ATOM 41 CA LYS A 3 0.342 0.242 5.607 1.00 0.00 C ATOM 42 C LYS A 3 0.324 0.090 4.097 1.00 0.00 C ATOM 43 O LYS A 3 1.225 0.560 3.411 1.00 0.00 O ATOM 44 CB LYS A 3 0.134 1.711 5.972 1.00 0.00 C ATOM 45 CG LYS A 3 -0.343 1.925 7.397 1.00 0.00 C ATOM 46 CD LYS A 3 0.823 2.177 8.341 1.00 0.00 C ATOM 47 CE LYS A 3 0.939 3.647 8.705 1.00 0.00 C ATOM 48 NZ LYS A 3 1.895 4.366 7.816 1.00 0.00 N ATOM 0 H LYS A 3 2.311 0.491 6.242 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.464 -0.363 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.071 2.248 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.592 2.147 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.029 2.772 7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.901 1.050 7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.692 1.586 9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.749 1.843 7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.043 4.116 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.266 3.740 9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.809 5.391 7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.866 4.063 8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.678 4.146 6.823 1.00 0.00 H new ATOM 62 N VAL A 4 -0.708 -0.560 3.576 1.00 0.00 N ATOM 63 CA VAL A 4 -0.821 -0.742 2.137 1.00 0.00 C ATOM 64 C VAL A 4 -1.895 0.157 1.550 1.00 0.00 C ATOM 65 O VAL A 4 -3.087 -0.045 1.781 1.00 0.00 O ATOM 66 CB VAL A 4 -1.121 -2.210 1.750 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.613 -2.330 0.312 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.116 -3.052 1.917 1.00 0.00 C ATOM 0 H VAL A 4 -1.469 -0.965 4.121 1.00 0.00 H new ATOM 0 HA VAL A 4 0.149 -0.469 1.722 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.910 -2.564 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.812 -3.377 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.529 -1.752 0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.850 -1.948 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.106 -4.083 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.908 -2.667 1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.443 -3.016 2.956 1.00 0.00 H new ATOM 78 N TYR A 5 -1.466 1.126 0.757 1.00 0.00 N ATOM 79 CA TYR A 5 -2.399 2.020 0.107 1.00 0.00 C ATOM 80 C TYR A 5 -2.794 1.435 -1.241 1.00 0.00 C ATOM 81 O TYR A 5 -2.057 1.549 -2.217 1.00 0.00 O ATOM 82 CB TYR A 5 -1.788 3.414 -0.085 1.00 0.00 C ATOM 83 CG TYR A 5 -1.685 4.225 1.190 1.00 0.00 C ATOM 84 CD1 TYR A 5 -2.671 4.150 2.165 1.00 0.00 C ATOM 85 CD2 TYR A 5 -0.599 5.062 1.419 1.00 0.00 C ATOM 86 CE1 TYR A 5 -2.579 4.887 3.330 1.00 0.00 C ATOM 87 CE2 TYR A 5 -0.501 5.799 2.583 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.493 5.709 3.533 1.00 0.00 C ATOM 89 OH TYR A 5 -1.397 6.443 4.694 1.00 0.00 O ATOM 0 H TYR A 5 -0.484 1.309 0.552 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.281 2.126 0.739 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.793 3.306 -0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.390 3.966 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.523 3.505 2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.180 5.137 0.675 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.355 4.819 4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.350 6.443 2.747 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.844 5.963 5.422 1.00 0.00 H new ATOM 99 N GLY A 6 -3.953 0.791 -1.282 1.00 0.00 N ATOM 100 CA GLY A 6 -4.422 0.181 -2.507 1.00 0.00 C ATOM 101 C GLY A 6 -5.912 -0.084 -2.454 1.00 0.00 C ATOM 102 O GLY A 6 -6.667 0.709 -1.894 1.00 0.00 O ATOM 0 H GLY A 6 -4.578 0.681 -0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.196 0.834 -3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.890 -0.755 -2.677 1.00 0.00 H new ATOM 106 N TYR A 7 -6.344 -1.196 -3.033 1.00 0.00 N ATOM 107 CA TYR A 7 -7.752 -1.545 -3.044 1.00 0.00 C ATOM 108 C TYR A 7 -8.012 -2.850 -2.300 1.00 0.00 C ATOM 109 O TYR A 7 -7.204 -3.774 -2.348 1.00 0.00 O ATOM 110 CB TYR A 7 -8.236 -1.649 -4.476 1.00 0.00 C ATOM 111 CG TYR A 7 -7.979 -0.387 -5.254 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.699 -0.091 -5.692 1.00 0.00 C ATOM 113 CD2 TYR A 7 -8.994 0.530 -5.514 1.00 0.00 C ATOM 114 CE1 TYR A 7 -6.432 1.071 -6.378 1.00 0.00 C ATOM 115 CE2 TYR A 7 -8.730 1.695 -6.192 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.450 1.964 -6.626 1.00 0.00 C ATOM 117 OH TYR A 7 -7.192 3.132 -7.310 1.00 0.00 O ATOM 0 H TYR A 7 -5.737 -1.870 -3.500 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.304 -0.759 -2.528 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.737 -2.485 -4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.304 -1.867 -4.482 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.896 -0.785 -5.491 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -10.000 0.323 -5.179 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.429 1.282 -6.720 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.525 2.400 -6.385 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.020 3.648 -7.400 1.00 0.00 H new ATOM 127 N ASP A 8 -9.142 -2.912 -1.604 1.00 0.00 N ATOM 128 CA ASP A 8 -9.508 -4.098 -0.838 1.00 0.00 C ATOM 129 C ASP A 8 -9.747 -5.301 -1.748 1.00 0.00 C ATOM 130 O ASP A 8 -8.905 -6.194 -1.844 1.00 0.00 O ATOM 131 CB ASP A 8 -10.755 -3.819 0.006 1.00 0.00 C ATOM 132 CG ASP A 8 -11.190 -5.025 0.818 1.00 0.00 C ATOM 133 OD1 ASP A 8 -10.311 -5.813 1.227 1.00 0.00 O ATOM 134 OD2 ASP A 8 -12.408 -5.180 1.045 1.00 0.00 O ATOM 0 H ASP A 8 -9.822 -2.153 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.674 -4.338 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.555 -2.985 0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.571 -3.512 -0.648 1.00 0.00 H new ATOM 139 N SER A 9 -10.905 -5.328 -2.404 1.00 0.00 N ATOM 140 CA SER A 9 -11.260 -6.426 -3.302 1.00 0.00 C ATOM 141 C SER A 9 -12.722 -6.321 -3.727 1.00 0.00 C ATOM 142 O SER A 9 -13.076 -6.651 -4.859 1.00 0.00 O ATOM 143 CB SER A 9 -11.009 -7.778 -2.626 1.00 0.00 C ATOM 144 OG SER A 9 -9.733 -8.288 -2.966 1.00 0.00 O ATOM 0 H SER A 9 -11.616 -4.600 -2.331 1.00 0.00 H new ATOM 0 HA SER A 9 -10.630 -6.355 -4.189 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.083 -7.667 -1.544 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.780 -8.487 -2.927 1.00 0.00 H new ATOM 0 HG SER A 9 -9.039 -7.747 -2.535 1.00 0.00 H new ATOM 150 N ASN A 10 -13.562 -5.848 -2.812 1.00 0.00 N ATOM 151 CA ASN A 10 -14.985 -5.686 -3.088 1.00 0.00 C ATOM 152 C ASN A 10 -15.236 -4.389 -3.847 1.00 0.00 C ATOM 153 O ASN A 10 -16.197 -4.277 -4.608 1.00 0.00 O ATOM 154 CB ASN A 10 -15.782 -5.688 -1.781 1.00 0.00 C ATOM 155 CG ASN A 10 -17.254 -5.971 -1.998 1.00 0.00 C ATOM 156 OD1 ASN A 10 -18.035 -5.067 -2.290 1.00 0.00 O ATOM 157 ND2 ASN A 10 -17.643 -7.234 -1.852 1.00 0.00 N ATOM 0 H ASN A 10 -13.281 -5.570 -1.872 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.314 -6.522 -3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.367 -6.438 -1.108 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.670 -4.721 -1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.623 -7.484 -1.983 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.961 -7.953 -1.609 1.00 0.00 H new ATOM 164 N ILE A 11 -14.362 -3.408 -3.637 1.00 0.00 N ATOM 165 CA ILE A 11 -14.487 -2.118 -4.303 1.00 0.00 C ATOM 166 C ILE A 11 -13.746 -2.106 -5.629 1.00 0.00 C ATOM 167 O ILE A 11 -14.251 -1.597 -6.629 1.00 0.00 O ATOM 168 CB ILE A 11 -13.914 -0.970 -3.444 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.617 -0.886 -2.096 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.035 0.360 -4.182 1.00 0.00 C ATOM 171 CD1 ILE A 11 -14.261 -2.010 -1.145 1.00 0.00 C ATOM 0 H ILE A 11 -13.560 -3.483 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.555 -1.967 -4.462 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.860 -1.182 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.368 0.066 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.695 -0.889 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.627 1.158 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.480 0.308 -5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.085 0.565 -4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.802 -1.879 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.536 -2.965 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.189 -1.996 -0.950 1.00 0.00 H new ATOM 183 N HIS A 12 -12.526 -2.625 -5.622 1.00 0.00 N ATOM 184 CA HIS A 12 -11.706 -2.616 -6.814 1.00 0.00 C ATOM 185 C HIS A 12 -10.870 -3.885 -6.909 1.00 0.00 C ATOM 186 O HIS A 12 -10.635 -4.558 -5.907 1.00 0.00 O ATOM 187 CB HIS A 12 -10.795 -1.397 -6.744 1.00 0.00 C ATOM 188 CG HIS A 12 -10.331 -0.878 -8.057 1.00 0.00 C ATOM 189 ND1 HIS A 12 -10.851 0.115 -8.794 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -9.238 -1.335 -8.745 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -10.095 0.280 -9.950 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -9.134 -0.618 -9.871 1.00 0.00 N flip ATOM 0 H HIS A 12 -12.089 -3.054 -4.807 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.342 -2.573 -7.698 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.322 -0.599 -6.222 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.922 -1.650 -6.142 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.578 -2.131 -8.435 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.261 0.993 -10.744 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.407 -0.750 -10.574 1.00 0.00 H new ATOM 200 N LYS A 13 -10.408 -4.200 -8.112 1.00 0.00 N ATOM 201 CA LYS A 13 -9.585 -5.385 -8.321 1.00 0.00 C ATOM 202 C LYS A 13 -8.139 -5.111 -7.916 1.00 0.00 C ATOM 203 O LYS A 13 -7.665 -3.978 -8.003 1.00 0.00 O ATOM 204 CB LYS A 13 -9.660 -5.846 -9.783 1.00 0.00 C ATOM 205 CG LYS A 13 -8.860 -4.988 -10.755 1.00 0.00 C ATOM 206 CD LYS A 13 -8.091 -5.846 -11.746 1.00 0.00 C ATOM 207 CE LYS A 13 -7.869 -5.117 -13.060 1.00 0.00 C ATOM 208 NZ LYS A 13 -7.092 -3.861 -12.870 1.00 0.00 N ATOM 0 H LYS A 13 -10.588 -3.654 -8.955 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.972 -6.186 -7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.303 -6.874 -9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.704 -5.851 -10.096 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.533 -4.321 -11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.165 -4.358 -10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.129 -6.125 -11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.638 -6.770 -11.930 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.340 -5.771 -13.754 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.832 -4.884 -13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.844 -3.462 -13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.666 -3.174 -12.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.222 -4.068 -12.339 1.00 0.00 H new ATOM 222 N CYS A 14 -7.443 -6.147 -7.464 1.00 0.00 N ATOM 223 CA CYS A 14 -6.056 -5.999 -7.043 1.00 0.00 C ATOM 224 C CYS A 14 -5.317 -7.333 -7.103 1.00 0.00 C ATOM 225 O CYS A 14 -5.342 -8.111 -6.151 1.00 0.00 O ATOM 226 CB CYS A 14 -5.993 -5.434 -5.624 1.00 0.00 C ATOM 227 SG CYS A 14 -7.048 -6.300 -4.438 1.00 0.00 S ATOM 0 H CYS A 14 -7.814 -7.093 -7.380 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.568 -5.306 -7.729 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.962 -5.474 -5.274 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.280 -4.383 -5.650 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.303 -5.517 -3.432 1.00 0.00 H new ATOM 233 N VAL A 15 -4.656 -7.584 -8.227 1.00 0.00 N ATOM 234 CA VAL A 15 -3.905 -8.822 -8.417 1.00 0.00 C ATOM 235 C VAL A 15 -2.526 -8.736 -7.770 1.00 0.00 C ATOM 236 O VAL A 15 -1.983 -9.739 -7.308 1.00 0.00 O ATOM 237 CB VAL A 15 -3.732 -9.146 -9.913 1.00 0.00 C ATOM 238 CG1 VAL A 15 -5.047 -9.616 -10.512 1.00 0.00 C ATOM 239 CG2 VAL A 15 -3.196 -7.936 -10.663 1.00 0.00 C ATOM 0 H VAL A 15 -4.624 -6.946 -9.023 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.479 -9.616 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.007 -9.954 -10.010 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.906 -9.840 -11.569 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.383 -10.513 -9.993 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.797 -8.832 -10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.080 -8.184 -11.718 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.894 -7.105 -10.560 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.229 -7.651 -10.249 1.00 0.00 H new ATOM 249 N TYR A 16 -1.961 -7.532 -7.748 1.00 0.00 N ATOM 250 CA TYR A 16 -0.641 -7.316 -7.164 1.00 0.00 C ATOM 251 C TYR A 16 -0.666 -7.528 -5.652 1.00 0.00 C ATOM 252 O TYR A 16 0.344 -7.896 -5.052 1.00 0.00 O ATOM 253 CB TYR A 16 -0.140 -5.906 -7.486 1.00 0.00 C ATOM 254 CG TYR A 16 1.033 -5.886 -8.439 1.00 0.00 C ATOM 255 CD1 TYR A 16 0.844 -6.071 -9.802 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.326 -5.685 -7.977 1.00 0.00 C ATOM 257 CE1 TYR A 16 1.912 -6.056 -10.679 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.400 -5.668 -8.846 1.00 0.00 C ATOM 259 CZ TYR A 16 3.188 -5.854 -10.196 1.00 0.00 C ATOM 260 OH TYR A 16 4.255 -5.838 -11.064 1.00 0.00 O ATOM 0 H TYR A 16 -2.397 -6.691 -8.128 1.00 0.00 H new ATOM 0 HA TYR A 16 0.041 -8.045 -7.601 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.958 -5.328 -7.917 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.147 -5.410 -6.559 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.154 -6.229 -10.183 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.496 -5.539 -6.920 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.748 -6.202 -11.737 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.400 -5.510 -8.470 1.00 0.00 H new ATOM 0 HH TYR A 16 5.083 -5.683 -10.562 1.00 0.00 H new ATOM 270 N CYS A 17 -1.823 -7.290 -5.042 1.00 0.00 N ATOM 271 CA CYS A 17 -1.972 -7.457 -3.602 1.00 0.00 C ATOM 272 C CYS A 17 -1.763 -8.912 -3.195 1.00 0.00 C ATOM 273 O CYS A 17 -1.062 -9.200 -2.227 1.00 0.00 O ATOM 274 CB CYS A 17 -3.355 -6.981 -3.151 1.00 0.00 C ATOM 275 SG CYS A 17 -3.544 -6.857 -1.357 1.00 0.00 S ATOM 0 H CYS A 17 -2.669 -6.982 -5.522 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.210 -6.851 -3.112 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.554 -6.006 -3.595 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.108 -7.667 -3.538 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.744 -6.445 -1.075 1.00 0.00 H new ATOM 281 N ASP A 18 -2.374 -9.826 -3.942 1.00 0.00 N ATOM 282 CA ASP A 18 -2.257 -11.254 -3.659 1.00 0.00 C ATOM 283 C ASP A 18 -0.794 -11.667 -3.503 1.00 0.00 C ATOM 284 O ASP A 18 -0.465 -12.527 -2.685 1.00 0.00 O ATOM 285 CB ASP A 18 -2.910 -12.069 -4.777 1.00 0.00 C ATOM 286 CG ASP A 18 -4.327 -12.485 -4.436 1.00 0.00 C ATOM 287 OD1 ASP A 18 -5.241 -11.643 -4.568 1.00 0.00 O ATOM 288 OD2 ASP A 18 -4.522 -13.651 -4.034 1.00 0.00 O ATOM 0 H ASP A 18 -2.956 -9.604 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.772 -11.454 -2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.918 -11.481 -5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.310 -12.958 -4.973 1.00 0.00 H new ATOM 293 N ASN A 19 0.077 -11.049 -4.292 1.00 0.00 N ATOM 294 CA ASN A 19 1.501 -11.352 -4.241 1.00 0.00 C ATOM 295 C ASN A 19 2.116 -10.831 -2.947 1.00 0.00 C ATOM 296 O ASN A 19 2.704 -11.592 -2.178 1.00 0.00 O ATOM 297 CB ASN A 19 2.219 -10.747 -5.448 1.00 0.00 C ATOM 298 CG ASN A 19 1.638 -11.224 -6.766 1.00 0.00 C ATOM 299 OD1 ASN A 19 0.601 -10.541 -7.239 1.00 0.00 O flip ATOM 300 ND2 ASN A 19 2.115 -12.195 -7.352 1.00 0.00 N flip ATOM 0 H ASN A 19 -0.178 -10.335 -4.974 1.00 0.00 H new ATOM 0 HA ASN A 19 1.621 -12.435 -4.269 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.155 -9.660 -5.398 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.277 -11.006 -5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.912 -12.691 -6.953 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.713 -12.504 -8.237 1.00 0.00 H new ATOM 307 N ALA A 20 1.975 -9.531 -2.706 1.00 0.00 N ATOM 308 CA ALA A 20 2.513 -8.916 -1.500 1.00 0.00 C ATOM 309 C ALA A 20 1.954 -9.586 -0.252 1.00 0.00 C ATOM 310 O ALA A 20 2.612 -9.634 0.787 1.00 0.00 O ATOM 311 CB ALA A 20 2.216 -7.426 -1.486 1.00 0.00 C ATOM 0 H ALA A 20 1.493 -8.884 -3.330 1.00 0.00 H new ATOM 0 HA ALA A 20 3.594 -9.054 -1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.625 -6.982 -0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.672 -6.956 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.138 -7.270 -1.512 1.00 0.00 H new ATOM 317 N LYS A 21 0.741 -10.118 -0.360 1.00 0.00 N ATOM 318 CA LYS A 21 0.112 -10.797 0.765 1.00 0.00 C ATOM 319 C LYS A 21 0.906 -12.045 1.123 1.00 0.00 C ATOM 320 O LYS A 21 1.178 -12.307 2.295 1.00 0.00 O ATOM 321 CB LYS A 21 -1.334 -11.169 0.429 1.00 0.00 C ATOM 322 CG LYS A 21 -2.185 -11.472 1.650 1.00 0.00 C ATOM 323 CD LYS A 21 -3.254 -12.509 1.341 1.00 0.00 C ATOM 324 CE LYS A 21 -3.881 -13.057 2.612 1.00 0.00 C ATOM 325 NZ LYS A 21 -4.413 -14.434 2.420 1.00 0.00 N ATOM 0 H LYS A 21 0.178 -10.092 -1.210 1.00 0.00 H new ATOM 0 HA LYS A 21 0.102 -10.122 1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.791 -10.350 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.333 -12.039 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.549 -11.834 2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.657 -10.555 2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.027 -12.061 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.815 -13.326 0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.138 -13.063 3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.688 -12.398 2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.832 -14.771 3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.140 -14.425 1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.639 -15.069 2.139 1.00 0.00 H new ATOM 339 N ARG A 22 1.301 -12.803 0.102 1.00 0.00 N ATOM 340 CA ARG A 22 2.094 -14.006 0.315 1.00 0.00 C ATOM 341 C ARG A 22 3.432 -13.618 0.928 1.00 0.00 C ATOM 342 O ARG A 22 3.965 -14.314 1.791 1.00 0.00 O ATOM 343 CB ARG A 22 2.312 -14.749 -1.004 1.00 0.00 C ATOM 344 CG ARG A 22 2.739 -16.197 -0.824 1.00 0.00 C ATOM 345 CD ARG A 22 1.574 -17.071 -0.390 1.00 0.00 C ATOM 346 NE ARG A 22 0.501 -17.085 -1.381 1.00 0.00 N ATOM 347 CZ ARG A 22 0.525 -17.821 -2.491 1.00 0.00 C ATOM 348 NH1 ARG A 22 1.563 -18.605 -2.753 1.00 0.00 N ATOM 349 NH2 ARG A 22 -0.492 -17.773 -3.340 1.00 0.00 N ATOM 0 H ARG A 22 1.085 -12.605 -0.875 1.00 0.00 H new ATOM 0 HA ARG A 22 1.560 -14.672 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.390 -14.720 -1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.071 -14.225 -1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.150 -16.575 -1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.534 -16.253 -0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.927 -18.089 -0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.184 -16.709 0.561 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.315 -16.496 -1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.348 -18.646 -2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.576 -19.166 -3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.293 -17.173 -3.143 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.474 -18.336 -4.190 1.00 0.00 H new ATOM 363 N LEU A 23 3.943 -12.471 0.492 1.00 0.00 N ATOM 364 CA LEU A 23 5.194 -11.933 1.001 1.00 0.00 C ATOM 365 C LEU A 23 5.102 -11.711 2.502 1.00 0.00 C ATOM 366 O LEU A 23 5.838 -12.320 3.279 1.00 0.00 O ATOM 367 CB LEU A 23 5.513 -10.618 0.272 1.00 0.00 C ATOM 368 CG LEU A 23 6.419 -9.628 1.013 1.00 0.00 C ATOM 369 CD1 LEU A 23 7.561 -10.336 1.723 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.946 -8.573 0.055 1.00 0.00 C ATOM 0 H LEU A 23 3.501 -11.892 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 23 5.999 -12.645 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.982 -10.861 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.572 -10.116 0.046 1.00 0.00 H new ATOM 0 HG LEU A 23 5.819 -9.135 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.181 -9.601 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.157 -11.041 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.166 -10.874 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.588 -7.878 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.520 -9.055 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.109 -8.029 -0.383 1.00 0.00 H new ATOM 382 N LEU A 24 4.187 -10.843 2.902 1.00 0.00 N ATOM 383 CA LEU A 24 3.995 -10.544 4.311 1.00 0.00 C ATOM 384 C LEU A 24 3.589 -11.795 5.083 1.00 0.00 C ATOM 385 O LEU A 24 4.206 -12.139 6.091 1.00 0.00 O ATOM 386 CB LEU A 24 2.928 -9.458 4.486 1.00 0.00 C ATOM 387 CG LEU A 24 3.351 -8.023 4.127 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.776 -7.038 5.118 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.857 -7.862 4.097 1.00 0.00 C ATOM 0 H LEU A 24 3.567 -10.334 2.272 1.00 0.00 H new ATOM 0 HA LEU A 24 4.943 -10.182 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.066 -9.724 3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.597 -9.468 5.525 1.00 0.00 H new ATOM 0 HG LEU A 24 2.962 -7.823 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.085 -6.028 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.688 -7.100 5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.139 -7.274 6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.108 -6.833 3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.268 -8.101 5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.280 -8.536 3.352 1.00 0.00 H new ATOM 401 N THR A 25 2.542 -12.462 4.617 1.00 0.00 N ATOM 402 CA THR A 25 2.049 -13.666 5.278 1.00 0.00 C ATOM 403 C THR A 25 3.172 -14.683 5.486 1.00 0.00 C ATOM 404 O THR A 25 3.221 -15.370 6.507 1.00 0.00 O ATOM 405 CB THR A 25 0.918 -14.290 4.457 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.178 -13.398 4.358 1.00 0.00 O ATOM 407 CG2 THR A 25 0.398 -15.590 5.035 1.00 0.00 C ATOM 0 H THR A 25 2.017 -12.192 3.785 1.00 0.00 H new ATOM 0 HA THR A 25 1.666 -13.382 6.258 1.00 0.00 H new ATOM 0 HB THR A 25 1.354 -14.497 3.479 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.008 -12.749 3.643 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.401 -15.975 4.402 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.208 -16.318 5.080 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.013 -15.413 6.039 1.00 0.00 H new ATOM 415 N VAL A 26 4.070 -14.774 4.509 1.00 0.00 N ATOM 416 CA VAL A 26 5.191 -15.710 4.576 1.00 0.00 C ATOM 417 C VAL A 26 6.326 -15.175 5.453 1.00 0.00 C ATOM 418 O VAL A 26 7.197 -15.934 5.877 1.00 0.00 O ATOM 419 CB VAL A 26 5.736 -16.022 3.164 1.00 0.00 C ATOM 420 CG1 VAL A 26 7.074 -16.745 3.234 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.727 -16.841 2.375 1.00 0.00 C ATOM 0 H VAL A 26 4.044 -14.210 3.659 1.00 0.00 H new ATOM 0 HA VAL A 26 4.810 -16.627 5.026 1.00 0.00 H new ATOM 0 HB VAL A 26 5.897 -15.075 2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.430 -16.950 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.799 -16.119 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.952 -17.684 3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.126 -17.052 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.533 -17.779 2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.797 -16.280 2.280 1.00 0.00 H new ATOM 431 N LYS A 27 6.322 -13.871 5.709 1.00 0.00 N ATOM 432 CA LYS A 27 7.367 -13.256 6.523 1.00 0.00 C ATOM 433 C LYS A 27 7.005 -13.274 8.007 1.00 0.00 C ATOM 434 O LYS A 27 7.885 -13.340 8.865 1.00 0.00 O ATOM 435 CB LYS A 27 7.619 -11.820 6.059 1.00 0.00 C ATOM 436 CG LYS A 27 8.796 -11.687 5.107 1.00 0.00 C ATOM 437 CD LYS A 27 10.118 -11.646 5.857 1.00 0.00 C ATOM 438 CE LYS A 27 11.195 -12.439 5.135 1.00 0.00 C ATOM 439 NZ LYS A 27 11.465 -13.744 5.802 1.00 0.00 N ATOM 0 H LYS A 27 5.613 -13.222 5.368 1.00 0.00 H new ATOM 0 HA LYS A 27 8.278 -13.841 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.722 -11.442 5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.795 -11.191 6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.798 -12.525 4.410 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.685 -10.779 4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.441 -10.611 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.980 -12.048 6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.887 -12.615 4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.114 -11.853 5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.205 -14.254 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.783 -13.576 6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.595 -14.314 5.815 1.00 0.00 H new ATOM 453 N LYS A 28 5.708 -13.216 8.303 1.00 0.00 N ATOM 454 CA LYS A 28 5.228 -13.225 9.686 1.00 0.00 C ATOM 455 C LYS A 28 5.434 -11.866 10.350 1.00 0.00 C ATOM 456 O LYS A 28 6.239 -11.725 11.271 1.00 0.00 O ATOM 457 CB LYS A 28 5.934 -14.317 10.499 1.00 0.00 C ATOM 458 CG LYS A 28 5.040 -14.974 11.538 1.00 0.00 C ATOM 459 CD LYS A 28 4.424 -16.259 11.011 1.00 0.00 C ATOM 460 CE LYS A 28 3.166 -15.983 10.202 1.00 0.00 C ATOM 461 NZ LYS A 28 2.215 -17.127 10.247 1.00 0.00 N ATOM 0 H LYS A 28 4.968 -13.162 7.603 1.00 0.00 H new ATOM 0 HA LYS A 28 4.159 -13.438 9.662 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.308 -15.081 9.818 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.800 -13.884 10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.621 -15.189 12.435 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.249 -14.283 11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.150 -16.783 10.390 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.184 -16.918 11.846 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.676 -15.088 10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.438 -15.778 9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.371 -16.899 9.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.673 -17.975 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.935 -17.307 11.232 1.00 0.00 H new ATOM 475 N GLN A 29 4.692 -10.872 9.878 1.00 0.00 N ATOM 476 CA GLN A 29 4.777 -9.521 10.420 1.00 0.00 C ATOM 477 C GLN A 29 3.437 -8.804 10.283 1.00 0.00 C ATOM 478 O GLN A 29 2.855 -8.775 9.201 1.00 0.00 O ATOM 479 CB GLN A 29 5.875 -8.720 9.699 1.00 0.00 C ATOM 480 CG GLN A 29 5.459 -8.163 8.347 1.00 0.00 C ATOM 481 CD GLN A 29 5.199 -9.255 7.335 1.00 0.00 C ATOM 482 OE1 GLN A 29 6.083 -9.628 6.565 1.00 0.00 O ATOM 483 NE2 GLN A 29 3.980 -9.767 7.328 1.00 0.00 N ATOM 0 H GLN A 29 4.021 -10.977 9.117 1.00 0.00 H new ATOM 0 HA GLN A 29 5.030 -9.594 11.478 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.185 -7.894 10.339 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.746 -9.361 9.562 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.560 -7.559 8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.240 -7.501 7.973 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.280 -9.425 7.986 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.740 -10.504 6.665 1.00 0.00 H new ATOM 492 N PRO A 30 2.924 -8.200 11.362 1.00 0.00 N ATOM 493 CA PRO A 30 1.659 -7.474 11.296 1.00 0.00 C ATOM 494 C PRO A 30 1.656 -6.504 10.124 1.00 0.00 C ATOM 495 O PRO A 30 2.705 -6.235 9.539 1.00 0.00 O ATOM 496 CB PRO A 30 1.621 -6.710 12.622 1.00 0.00 C ATOM 497 CG PRO A 30 2.444 -7.529 13.550 1.00 0.00 C ATOM 498 CD PRO A 30 3.527 -8.151 12.707 1.00 0.00 C ATOM 0 HA PRO A 30 0.799 -8.129 11.152 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.029 -5.705 12.512 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.600 -6.602 12.988 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.871 -6.912 14.341 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.839 -8.295 14.035 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.438 -7.553 12.718 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.794 -9.145 13.065 1.00 0.00 H new ATOM 506 N PHE A 31 0.497 -5.970 9.788 1.00 0.00 N ATOM 507 CA PHE A 31 0.407 -5.007 8.701 1.00 0.00 C ATOM 508 C PHE A 31 -0.928 -4.271 8.739 1.00 0.00 C ATOM 509 O PHE A 31 -1.886 -4.744 9.349 1.00 0.00 O ATOM 510 CB PHE A 31 0.629 -5.687 7.358 1.00 0.00 C ATOM 511 CG PHE A 31 -0.193 -6.913 7.184 1.00 0.00 C ATOM 512 CD1 PHE A 31 -1.534 -6.814 6.888 1.00 0.00 C ATOM 513 CD2 PHE A 31 0.376 -8.161 7.321 1.00 0.00 C ATOM 514 CE1 PHE A 31 -2.302 -7.945 6.730 1.00 0.00 C ATOM 515 CE2 PHE A 31 -0.380 -9.301 7.164 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.727 -9.196 6.867 1.00 0.00 C ATOM 0 H PHE A 31 -0.389 -6.183 10.246 1.00 0.00 H new ATOM 0 HA PHE A 31 1.196 -4.267 8.832 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.396 -4.984 6.558 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.683 -5.946 7.258 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.987 -5.840 6.779 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.427 -8.246 7.554 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.353 -7.856 6.499 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.077 -10.274 7.272 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.327 -10.086 6.743 1.00 0.00 H new ATOM 526 N GLU A 32 -0.991 -3.118 8.082 1.00 0.00 N ATOM 527 CA GLU A 32 -2.221 -2.331 8.049 1.00 0.00 C ATOM 528 C GLU A 32 -2.650 -2.045 6.614 1.00 0.00 C ATOM 529 O GLU A 32 -1.899 -1.463 5.837 1.00 0.00 O ATOM 530 CB GLU A 32 -2.027 -1.015 8.804 1.00 0.00 C ATOM 531 CG GLU A 32 -2.306 -1.120 10.295 1.00 0.00 C ATOM 532 CD GLU A 32 -1.884 0.123 11.055 1.00 0.00 C ATOM 533 OE1 GLU A 32 -0.691 0.486 10.985 1.00 0.00 O ATOM 534 OE2 GLU A 32 -2.746 0.734 11.721 1.00 0.00 O ATOM 0 H GLU A 32 -0.211 -2.709 7.568 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.006 -2.912 8.534 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.003 -0.670 8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.683 -0.259 8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.371 -1.293 10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.780 -1.985 10.699 1.00 0.00 H new ATOM 541 N PHE A 33 -3.860 -2.457 6.260 1.00 0.00 N ATOM 542 CA PHE A 33 -4.369 -2.234 4.924 1.00 0.00 C ATOM 543 C PHE A 33 -5.383 -1.097 4.910 1.00 0.00 C ATOM 544 O PHE A 33 -6.165 -0.933 5.845 1.00 0.00 O ATOM 545 CB PHE A 33 -4.999 -3.517 4.376 1.00 0.00 C ATOM 546 CG PHE A 33 -5.171 -3.510 2.886 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.421 -2.655 2.099 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.085 -4.348 2.277 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.578 -2.635 0.729 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.246 -4.335 0.903 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.489 -3.474 0.130 1.00 0.00 C ATOM 0 H PHE A 33 -4.503 -2.946 6.883 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.534 -1.951 4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.377 -4.367 4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.972 -3.664 4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.703 -1.995 2.563 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.679 -5.019 2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.986 -1.961 0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.961 -4.996 0.435 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.613 -3.460 -0.943 1.00 0.00 H new ATOM 561 N ILE A 34 -5.357 -0.310 3.838 1.00 0.00 N ATOM 562 CA ILE A 34 -6.257 0.816 3.685 1.00 0.00 C ATOM 563 C ILE A 34 -6.658 0.974 2.227 1.00 0.00 C ATOM 564 O ILE A 34 -5.808 1.034 1.338 1.00 0.00 O ATOM 565 CB ILE A 34 -5.610 2.129 4.162 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.998 1.963 5.554 1.00 0.00 C ATOM 567 CG2 ILE A 34 -6.630 3.256 4.155 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.937 2.996 5.867 1.00 0.00 C ATOM 0 H ILE A 34 -4.713 -0.438 3.058 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.135 0.613 4.299 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.807 2.384 3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.789 2.026 6.301 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.562 0.967 5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.157 4.177 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.011 3.396 3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.455 3.004 4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.544 2.822 6.869 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.128 2.918 5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.374 3.993 5.817 1.00 0.00 H new ATOM 580 N ASN A 35 -7.953 1.038 1.996 1.00 0.00 N ATOM 581 CA ASN A 35 -8.483 1.191 0.649 1.00 0.00 C ATOM 582 C ASN A 35 -8.462 2.651 0.221 1.00 0.00 C ATOM 583 O ASN A 35 -9.061 3.510 0.870 1.00 0.00 O ATOM 584 CB ASN A 35 -9.908 0.640 0.566 1.00 0.00 C ATOM 585 CG ASN A 35 -10.790 1.140 1.694 1.00 0.00 C ATOM 586 OD1 ASN A 35 -11.360 2.326 1.519 1.00 0.00 O flip ATOM 587 ND2 ASN A 35 -10.957 0.467 2.712 1.00 0.00 N flip ATOM 0 H ASN A 35 -8.664 0.986 2.725 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.847 0.623 -0.029 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.349 0.924 -0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.875 -0.449 0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.499 -0.440 2.805 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.553 0.816 3.462 1.00 0.00 H new ATOM 594 N ILE A 36 -7.766 2.924 -0.876 1.00 0.00 N ATOM 595 CA ILE A 36 -7.668 4.278 -1.399 1.00 0.00 C ATOM 596 C ILE A 36 -8.941 4.671 -2.139 1.00 0.00 C ATOM 597 O ILE A 36 -9.179 5.850 -2.404 1.00 0.00 O ATOM 598 CB ILE A 36 -6.464 4.430 -2.348 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.497 3.354 -3.433 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.160 4.361 -1.567 1.00 0.00 C ATOM 601 CD1 ILE A 36 -6.056 3.858 -4.788 1.00 0.00 C ATOM 0 H ILE A 36 -7.261 2.224 -1.420 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.528 4.940 -0.544 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.526 5.405 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.854 2.526 -3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.510 2.958 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.319 4.470 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.134 5.164 -0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.091 3.399 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.103 3.044 -5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.714 4.666 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.033 4.227 -4.723 1.00 0.00 H new ATOM 613 N MET A 37 -9.762 3.679 -2.468 1.00 0.00 N ATOM 614 CA MET A 37 -11.010 3.926 -3.170 1.00 0.00 C ATOM 615 C MET A 37 -12.189 3.333 -2.403 1.00 0.00 C ATOM 616 O MET A 37 -12.678 2.254 -2.737 1.00 0.00 O ATOM 617 CB MET A 37 -10.954 3.351 -4.587 1.00 0.00 C ATOM 618 CG MET A 37 -12.175 3.684 -5.428 1.00 0.00 C ATOM 619 SD MET A 37 -12.412 2.540 -6.803 1.00 0.00 S ATOM 620 CE MET A 37 -11.058 3.004 -7.884 1.00 0.00 C ATOM 0 H MET A 37 -9.583 2.697 -2.258 1.00 0.00 H new ATOM 0 HA MET A 37 -11.152 5.005 -3.239 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.064 3.730 -5.089 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.849 2.268 -4.527 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.061 3.671 -4.794 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.077 4.697 -5.818 1.00 0.00 H new ATOM 0 HE1 MET A 37 -11.444 3.214 -8.881 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.567 3.894 -7.490 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.339 2.186 -7.938 1.00 0.00 H new ATOM 630 N PRO A 38 -12.657 4.035 -1.355 1.00 0.00 N ATOM 631 CA PRO A 38 -13.783 3.579 -0.534 1.00 0.00 C ATOM 632 C PRO A 38 -15.120 3.706 -1.258 1.00 0.00 C ATOM 633 O PRO A 38 -16.155 3.274 -0.749 1.00 0.00 O ATOM 634 CB PRO A 38 -13.741 4.517 0.672 1.00 0.00 C ATOM 635 CG PRO A 38 -13.109 5.763 0.158 1.00 0.00 C ATOM 636 CD PRO A 38 -12.122 5.328 -0.891 1.00 0.00 C ATOM 0 HA PRO A 38 -13.698 2.523 -0.277 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.742 4.711 1.058 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.162 4.087 1.489 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.857 6.434 -0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.611 6.307 0.960 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.057 6.050 -1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.119 5.222 -0.478 1.00 0.00 H new ATOM 644 N GLU A 39 -15.092 4.297 -2.447 1.00 0.00 N ATOM 645 CA GLU A 39 -16.299 4.478 -3.241 1.00 0.00 C ATOM 646 C GLU A 39 -16.007 4.207 -4.709 1.00 0.00 C ATOM 647 O GLU A 39 -14.983 4.639 -5.238 1.00 0.00 O ATOM 648 CB GLU A 39 -16.843 5.898 -3.066 1.00 0.00 C ATOM 649 CG GLU A 39 -17.571 6.111 -1.749 1.00 0.00 C ATOM 650 CD GLU A 39 -18.865 6.883 -1.916 1.00 0.00 C ATOM 651 OE1 GLU A 39 -19.855 6.287 -2.391 1.00 0.00 O ATOM 652 OE2 GLU A 39 -18.890 8.083 -1.570 1.00 0.00 O ATOM 0 H GLU A 39 -14.244 4.659 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.052 3.770 -2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.017 6.606 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.523 6.122 -3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.786 5.143 -1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.919 6.648 -1.060 1.00 0.00 H new ATOM 659 N LYS A 40 -16.907 3.485 -5.367 1.00 0.00 N ATOM 660 CA LYS A 40 -16.729 3.152 -6.777 1.00 0.00 C ATOM 661 C LYS A 40 -16.711 4.394 -7.655 1.00 0.00 C ATOM 662 O LYS A 40 -16.402 4.329 -8.845 1.00 0.00 O ATOM 663 CB LYS A 40 -17.815 2.183 -7.247 1.00 0.00 C ATOM 664 CG LYS A 40 -19.210 2.789 -7.251 1.00 0.00 C ATOM 665 CD LYS A 40 -20.010 2.337 -8.460 1.00 0.00 C ATOM 666 CE LYS A 40 -19.560 3.050 -9.725 1.00 0.00 C ATOM 667 NZ LYS A 40 -19.907 2.280 -10.952 1.00 0.00 N ATOM 0 H LYS A 40 -17.763 3.120 -4.950 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.758 2.665 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.574 1.840 -8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.811 1.305 -6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.734 2.504 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.135 3.876 -7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.899 1.260 -8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -21.069 2.530 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.025 4.035 -9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.482 3.208 -9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.583 2.801 -11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.443 1.350 -10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.938 2.151 -11.001 1.00 0.00 H new ATOM 681 N GLY A 41 -17.034 5.514 -7.050 1.00 0.00 N ATOM 682 CA GLY A 41 -17.052 6.777 -7.761 1.00 0.00 C ATOM 683 C GLY A 41 -15.670 7.385 -7.901 1.00 0.00 C ATOM 684 O GLY A 41 -15.180 7.579 -9.013 1.00 0.00 O ATOM 0 H GLY A 41 -17.289 5.579 -6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.481 6.626 -8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.702 7.477 -7.235 1.00 0.00 H new ATOM 688 N VAL A 42 -15.039 7.682 -6.768 1.00 0.00 N ATOM 689 CA VAL A 42 -13.706 8.274 -6.773 1.00 0.00 C ATOM 690 C VAL A 42 -12.913 7.875 -5.533 1.00 0.00 C ATOM 691 O VAL A 42 -13.489 7.546 -4.495 1.00 0.00 O ATOM 692 CB VAL A 42 -13.779 9.811 -6.848 1.00 0.00 C ATOM 693 CG1 VAL A 42 -12.387 10.408 -7.006 1.00 0.00 C ATOM 694 CG2 VAL A 42 -14.685 10.248 -7.989 1.00 0.00 C ATOM 0 H VAL A 42 -15.428 7.523 -5.839 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.197 7.893 -7.659 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.203 10.180 -5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.461 11.494 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.771 10.126 -6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.932 10.032 -7.922 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.724 11.337 -8.026 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.293 9.867 -8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.689 9.854 -7.828 1.00 0.00 H new ATOM 704 N PHE A 43 -11.588 7.912 -5.645 1.00 0.00 N ATOM 705 CA PHE A 43 -10.717 7.561 -4.525 1.00 0.00 C ATOM 706 C PHE A 43 -10.930 8.522 -3.356 1.00 0.00 C ATOM 707 O PHE A 43 -11.550 9.574 -3.513 1.00 0.00 O ATOM 708 CB PHE A 43 -9.237 7.583 -4.940 1.00 0.00 C ATOM 709 CG PHE A 43 -8.984 7.234 -6.382 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.745 6.272 -7.026 1.00 0.00 C ATOM 711 CD2 PHE A 43 -7.980 7.873 -7.092 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.511 5.956 -8.351 1.00 0.00 C ATOM 713 CE2 PHE A 43 -7.740 7.560 -8.416 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.507 6.601 -9.047 1.00 0.00 C ATOM 0 H PHE A 43 -11.094 8.180 -6.496 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.978 6.549 -4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.833 8.576 -4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.686 6.885 -4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.530 5.763 -6.486 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.378 8.625 -6.604 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.113 5.205 -8.842 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.953 8.065 -8.957 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.322 6.356 -10.082 1.00 0.00 H new ATOM 724 N ASP A 44 -10.409 8.158 -2.187 1.00 0.00 N ATOM 725 CA ASP A 44 -10.542 8.994 -0.997 1.00 0.00 C ATOM 726 C ASP A 44 -9.472 10.080 -0.971 1.00 0.00 C ATOM 727 O ASP A 44 -8.279 9.787 -1.033 1.00 0.00 O ATOM 728 CB ASP A 44 -10.440 8.141 0.269 1.00 0.00 C ATOM 729 CG ASP A 44 -11.152 8.774 1.450 1.00 0.00 C ATOM 730 OD1 ASP A 44 -12.382 8.592 1.569 1.00 0.00 O ATOM 731 OD2 ASP A 44 -10.478 9.453 2.254 1.00 0.00 O ATOM 0 H ASP A 44 -9.892 7.292 -2.038 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.522 9.470 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.866 7.156 0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.390 7.990 0.519 1.00 0.00 H new ATOM 736 N ASP A 45 -9.905 11.333 -0.879 1.00 0.00 N ATOM 737 CA ASP A 45 -8.982 12.465 -0.848 1.00 0.00 C ATOM 738 C ASP A 45 -8.349 12.625 0.533 1.00 0.00 C ATOM 739 O ASP A 45 -7.235 13.133 0.659 1.00 0.00 O ATOM 740 CB ASP A 45 -9.714 13.752 -1.233 1.00 0.00 C ATOM 741 CG ASP A 45 -8.797 14.767 -1.886 1.00 0.00 C ATOM 742 OD1 ASP A 45 -7.573 14.703 -1.645 1.00 0.00 O ATOM 743 OD2 ASP A 45 -9.302 15.627 -2.639 1.00 0.00 O ATOM 0 H ASP A 45 -10.890 11.592 -0.824 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.188 12.270 -1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.530 13.512 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.162 14.192 -0.342 1.00 0.00 H new ATOM 748 N GLU A 46 -9.067 12.192 1.567 1.00 0.00 N ATOM 749 CA GLU A 46 -8.573 12.293 2.937 1.00 0.00 C ATOM 750 C GLU A 46 -7.356 11.397 3.143 1.00 0.00 C ATOM 751 O GLU A 46 -6.271 11.871 3.486 1.00 0.00 O ATOM 752 CB GLU A 46 -9.674 11.913 3.930 1.00 0.00 C ATOM 753 CG GLU A 46 -11.046 12.450 3.556 1.00 0.00 C ATOM 754 CD GLU A 46 -11.816 12.968 4.755 1.00 0.00 C ATOM 755 OE1 GLU A 46 -11.252 13.781 5.517 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.984 12.562 4.931 1.00 0.00 O ATOM 0 H GLU A 46 -9.991 11.769 1.482 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.276 13.327 3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.726 10.827 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.405 12.286 4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.932 13.253 2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.622 11.661 3.073 1.00 0.00 H new ATOM 763 N LYS A 47 -7.543 10.100 2.930 1.00 0.00 N ATOM 764 CA LYS A 47 -6.461 9.137 3.089 1.00 0.00 C ATOM 765 C LYS A 47 -5.340 9.420 2.098 1.00 0.00 C ATOM 766 O LYS A 47 -4.163 9.437 2.460 1.00 0.00 O ATOM 767 CB LYS A 47 -6.981 7.714 2.888 1.00 0.00 C ATOM 768 CG LYS A 47 -8.139 7.352 3.803 1.00 0.00 C ATOM 769 CD LYS A 47 -7.648 6.911 5.171 1.00 0.00 C ATOM 770 CE LYS A 47 -8.776 6.892 6.188 1.00 0.00 C ATOM 771 NZ LYS A 47 -8.296 7.226 7.557 1.00 0.00 N ATOM 0 H LYS A 47 -8.434 9.691 2.647 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.068 9.233 4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.297 7.595 1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.165 7.011 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.801 8.211 3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.726 6.553 3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.207 5.917 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.862 7.585 5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.546 7.604 5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.240 5.906 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.096 7.202 8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.580 6.532 7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.876 8.177 7.555 1.00 0.00 H new ATOM 785 N ILE A 48 -5.717 9.643 0.846 1.00 0.00 N ATOM 786 CA ILE A 48 -4.754 9.929 -0.208 1.00 0.00 C ATOM 787 C ILE A 48 -3.957 11.189 0.119 1.00 0.00 C ATOM 788 O ILE A 48 -2.796 11.317 -0.268 1.00 0.00 O ATOM 789 CB ILE A 48 -5.461 10.102 -1.575 1.00 0.00 C ATOM 790 CG1 ILE A 48 -5.880 8.742 -2.157 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.569 10.845 -2.560 1.00 0.00 C ATOM 792 CD1 ILE A 48 -6.255 7.703 -1.117 1.00 0.00 C ATOM 0 H ILE A 48 -6.688 9.631 0.535 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.072 9.081 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.360 10.695 -1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.728 8.892 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.062 8.353 -2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.089 10.953 -3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.331 11.832 -2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.648 10.283 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.537 6.775 -1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.403 7.519 -0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.095 8.067 -0.525 1.00 0.00 H new ATOM 804 N ALA A 49 -4.591 12.118 0.825 1.00 0.00 N ATOM 805 CA ALA A 49 -3.937 13.365 1.197 1.00 0.00 C ATOM 806 C ALA A 49 -2.746 13.091 2.107 1.00 0.00 C ATOM 807 O ALA A 49 -1.654 13.618 1.894 1.00 0.00 O ATOM 808 CB ALA A 49 -4.925 14.302 1.876 1.00 0.00 C ATOM 0 H ALA A 49 -5.554 12.031 1.150 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.573 13.848 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.420 15.229 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.746 14.522 1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.318 13.827 2.775 1.00 0.00 H new ATOM 814 N GLU A 50 -2.964 12.255 3.116 1.00 0.00 N ATOM 815 CA GLU A 50 -1.908 11.899 4.054 1.00 0.00 C ATOM 816 C GLU A 50 -0.756 11.212 3.325 1.00 0.00 C ATOM 817 O GLU A 50 0.411 11.416 3.655 1.00 0.00 O ATOM 818 CB GLU A 50 -2.458 10.984 5.153 1.00 0.00 C ATOM 819 CG GLU A 50 -1.382 10.324 6.003 1.00 0.00 C ATOM 820 CD GLU A 50 -1.609 10.516 7.490 1.00 0.00 C ATOM 821 OE1 GLU A 50 -2.166 11.566 7.873 1.00 0.00 O ATOM 822 OE2 GLU A 50 -1.231 9.618 8.270 1.00 0.00 O ATOM 0 H GLU A 50 -3.863 11.812 3.305 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.533 12.813 4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.114 11.565 5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.070 10.208 4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.352 9.258 5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.409 10.734 5.733 1.00 0.00 H new ATOM 829 N LEU A 51 -1.095 10.400 2.327 1.00 0.00 N ATOM 830 CA LEU A 51 -0.097 9.682 1.550 1.00 0.00 C ATOM 831 C LEU A 51 0.872 10.666 0.901 1.00 0.00 C ATOM 832 O LEU A 51 2.088 10.526 1.020 1.00 0.00 O ATOM 833 CB LEU A 51 -0.787 8.831 0.484 1.00 0.00 C ATOM 834 CG LEU A 51 0.035 7.664 -0.051 1.00 0.00 C ATOM 835 CD1 LEU A 51 -0.813 6.777 -0.948 1.00 0.00 C ATOM 836 CD2 LEU A 51 1.251 8.160 -0.800 1.00 0.00 C ATOM 0 H LEU A 51 -2.058 10.225 2.039 1.00 0.00 H new ATOM 0 HA LEU A 51 0.469 9.027 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.715 8.439 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.059 9.476 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 51 0.374 7.073 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.208 5.950 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.655 6.383 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.185 7.361 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.821 7.309 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.934 8.779 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.876 8.750 -0.129 1.00 0.00 H new ATOM 848 N LEU A 52 0.321 11.676 0.231 1.00 0.00 N ATOM 849 CA LEU A 52 1.127 12.694 -0.422 1.00 0.00 C ATOM 850 C LEU A 52 2.147 13.292 0.536 1.00 0.00 C ATOM 851 O LEU A 52 3.319 13.457 0.196 1.00 0.00 O ATOM 852 CB LEU A 52 0.224 13.766 -0.961 1.00 0.00 C ATOM 853 CG LEU A 52 -0.598 13.299 -2.145 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.546 14.379 -2.542 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.305 12.913 -3.304 1.00 0.00 C ATOM 0 H LEU A 52 -0.685 11.808 0.128 1.00 0.00 H new ATOM 0 HA LEU A 52 1.679 12.232 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.446 14.103 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.825 14.626 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.168 12.414 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.140 14.047 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.207 14.608 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.985 15.272 -2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.304 12.580 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.899 13.776 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.969 12.106 -2.995 1.00 0.00 H new ATOM 867 N THR A 53 1.689 13.605 1.743 1.00 0.00 N ATOM 868 CA THR A 53 2.553 14.180 2.767 1.00 0.00 C ATOM 869 C THR A 53 3.740 13.263 3.045 1.00 0.00 C ATOM 870 O THR A 53 4.885 13.712 3.103 1.00 0.00 O ATOM 871 CB THR A 53 1.764 14.417 4.055 1.00 0.00 C ATOM 872 OG1 THR A 53 0.573 15.136 3.788 1.00 0.00 O ATOM 873 CG2 THR A 53 2.540 15.187 5.100 1.00 0.00 C ATOM 0 H THR A 53 0.722 13.470 2.037 1.00 0.00 H new ATOM 0 HA THR A 53 2.929 15.135 2.401 1.00 0.00 H new ATOM 0 HB THR A 53 1.547 13.423 4.447 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.081 15.276 4.624 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.922 15.320 5.988 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.441 14.634 5.365 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.817 16.163 4.702 1.00 0.00 H new ATOM 881 N LYS A 54 3.457 11.974 3.210 1.00 0.00 N ATOM 882 CA LYS A 54 4.500 10.992 3.478 1.00 0.00 C ATOM 883 C LYS A 54 5.503 10.944 2.329 1.00 0.00 C ATOM 884 O LYS A 54 6.707 10.816 2.547 1.00 0.00 O ATOM 885 CB LYS A 54 3.885 9.607 3.698 1.00 0.00 C ATOM 886 CG LYS A 54 2.872 9.565 4.831 1.00 0.00 C ATOM 887 CD LYS A 54 2.550 8.137 5.236 1.00 0.00 C ATOM 888 CE LYS A 54 1.160 8.031 5.843 1.00 0.00 C ATOM 889 NZ LYS A 54 1.108 8.606 7.216 1.00 0.00 N ATOM 0 H LYS A 54 2.515 11.587 3.163 1.00 0.00 H new ATOM 0 HA LYS A 54 5.026 11.292 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.401 9.283 2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.682 8.894 3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.263 10.109 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.958 10.072 4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.618 7.486 4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.290 7.786 5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.445 8.550 5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.857 6.984 5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.116 8.733 7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.580 7.961 7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.591 9.527 7.225 1.00 0.00 H new ATOM 903 N LEU A 55 4.996 11.053 1.104 1.00 0.00 N ATOM 904 CA LEU A 55 5.846 11.030 -0.082 1.00 0.00 C ATOM 905 C LEU A 55 6.854 12.173 -0.042 1.00 0.00 C ATOM 906 O LEU A 55 8.064 11.952 -0.002 1.00 0.00 O ATOM 907 CB LEU A 55 4.995 11.132 -1.349 1.00 0.00 C ATOM 908 CG LEU A 55 4.133 9.903 -1.671 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.112 9.649 -3.163 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.642 8.667 -0.946 1.00 0.00 C ATOM 0 H LEU A 55 4.001 11.158 0.907 1.00 0.00 H new ATOM 0 HA LEU A 55 6.389 10.085 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.340 11.998 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.656 11.321 -2.195 1.00 0.00 H new ATOM 0 HG LEU A 55 3.120 10.110 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.497 8.774 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.696 10.517 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.128 9.472 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.011 7.814 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.667 8.461 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.613 8.839 0.130 1.00 0.00 H new ATOM 922 N GLY A 56 6.340 13.398 -0.049 1.00 0.00 N ATOM 923 CA GLY A 56 7.193 14.570 -0.013 1.00 0.00 C ATOM 924 C GLY A 56 6.390 15.854 0.049 1.00 0.00 C ATOM 925 O GLY A 56 5.663 16.093 1.013 1.00 0.00 O ATOM 0 H GLY A 56 5.341 13.600 -0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.852 14.512 0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.830 14.583 -0.898 1.00 0.00 H new ATOM 929 N ARG A 57 6.514 16.681 -0.985 1.00 0.00 N ATOM 930 CA ARG A 57 5.782 17.941 -1.044 1.00 0.00 C ATOM 931 C ARG A 57 5.495 18.337 -2.487 1.00 0.00 C ATOM 932 O ARG A 57 5.346 19.515 -2.804 1.00 0.00 O ATOM 933 CB ARG A 57 6.563 19.051 -0.337 1.00 0.00 C ATOM 934 CG ARG A 57 5.707 20.250 0.041 1.00 0.00 C ATOM 935 CD ARG A 57 5.568 20.385 1.550 1.00 0.00 C ATOM 936 NE ARG A 57 6.746 20.998 2.156 1.00 0.00 N ATOM 937 CZ ARG A 57 6.849 21.285 3.452 1.00 0.00 C ATOM 938 NH1 ARG A 57 5.849 21.015 4.281 1.00 0.00 N ATOM 939 NH2 ARG A 57 7.957 21.845 3.921 1.00 0.00 N ATOM 0 H ARG A 57 7.113 16.502 -1.791 1.00 0.00 H new ATOM 0 HA ARG A 57 4.831 17.801 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.022 18.644 0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.374 19.383 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.151 21.158 -0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.719 20.149 -0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.688 20.985 1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.406 19.400 1.988 1.00 0.00 H new ATOM 0 HE ARG A 57 7.537 21.220 1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.995 20.585 3.927 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.935 21.237 5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.729 22.055 3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.036 22.065 4.914 1.00 0.00 H new ATOM 953 N ASP A 58 5.416 17.335 -3.351 1.00 0.00 N ATOM 954 CA ASP A 58 5.141 17.552 -4.763 1.00 0.00 C ATOM 955 C ASP A 58 3.878 16.796 -5.180 1.00 0.00 C ATOM 956 O ASP A 58 2.967 16.603 -4.374 1.00 0.00 O ATOM 957 CB ASP A 58 6.352 17.113 -5.598 1.00 0.00 C ATOM 958 CG ASP A 58 6.554 15.609 -5.594 1.00 0.00 C ATOM 959 OD1 ASP A 58 5.821 14.911 -4.861 1.00 0.00 O ATOM 960 OD2 ASP A 58 7.448 15.128 -6.323 1.00 0.00 O ATOM 0 H ASP A 58 5.540 16.355 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 58 4.967 18.614 -4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.223 17.455 -6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.249 17.597 -5.211 1.00 0.00 H new ATOM 965 N THR A 59 3.829 16.366 -6.435 1.00 0.00 N ATOM 966 CA THR A 59 2.683 15.625 -6.949 1.00 0.00 C ATOM 967 C THR A 59 3.115 14.249 -7.446 1.00 0.00 C ATOM 968 O THR A 59 4.306 13.991 -7.617 1.00 0.00 O ATOM 969 CB THR A 59 2.008 16.401 -8.080 1.00 0.00 C ATOM 970 OG1 THR A 59 0.972 15.633 -8.667 1.00 0.00 O ATOM 971 CG2 THR A 59 2.962 16.804 -9.185 1.00 0.00 C ATOM 0 H THR A 59 4.572 16.518 -7.117 1.00 0.00 H new ATOM 0 HA THR A 59 1.968 15.495 -6.136 1.00 0.00 H new ATOM 0 HB THR A 59 1.615 17.305 -7.614 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.551 16.147 -9.387 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.417 17.351 -9.955 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.746 17.440 -8.775 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.410 15.912 -9.622 1.00 0.00 H new ATOM 979 N GLN A 60 2.146 13.372 -7.683 1.00 0.00 N ATOM 980 CA GLN A 60 2.439 12.025 -8.168 1.00 0.00 C ATOM 981 C GLN A 60 1.856 11.812 -9.560 1.00 0.00 C ATOM 982 O GLN A 60 0.670 11.520 -9.711 1.00 0.00 O ATOM 983 CB GLN A 60 1.871 10.974 -7.213 1.00 0.00 C ATOM 984 CG GLN A 60 1.894 11.387 -5.749 1.00 0.00 C ATOM 985 CD GLN A 60 1.054 10.479 -4.872 1.00 0.00 C ATOM 986 OE1 GLN A 60 1.517 9.989 -3.844 1.00 0.00 O ATOM 987 NE2 GLN A 60 -0.192 10.254 -5.273 1.00 0.00 N ATOM 0 H GLN A 60 1.154 13.567 -7.548 1.00 0.00 H new ATOM 0 HA GLN A 60 3.523 11.917 -8.217 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.843 10.755 -7.501 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.438 10.050 -7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.923 11.381 -5.390 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.530 12.411 -5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.536 10.681 -6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.805 9.654 -4.721 1.00 0.00 H new ATOM 996 N ILE A 61 2.702 11.950 -10.572 1.00 0.00 N ATOM 997 CA ILE A 61 2.280 11.770 -11.956 1.00 0.00 C ATOM 998 C ILE A 61 2.241 10.295 -12.340 1.00 0.00 C ATOM 999 O ILE A 61 3.199 9.760 -12.895 1.00 0.00 O ATOM 1000 CB ILE A 61 3.204 12.531 -12.929 1.00 0.00 C ATOM 1001 CG1 ILE A 61 2.705 12.384 -14.369 1.00 0.00 C ATOM 1002 CG2 ILE A 61 4.638 12.035 -12.804 1.00 0.00 C ATOM 1003 CD1 ILE A 61 1.300 12.907 -14.578 1.00 0.00 C ATOM 0 H ILE A 61 3.688 12.187 -10.461 1.00 0.00 H new ATOM 0 HA ILE A 61 1.273 12.179 -12.034 1.00 0.00 H new ATOM 0 HB ILE A 61 3.184 13.589 -12.666 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.384 12.914 -15.036 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.738 11.332 -14.651 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.275 12.584 -13.498 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.991 12.194 -11.785 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.677 10.971 -13.039 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.012 12.771 -15.620 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.609 12.360 -13.936 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.266 13.967 -14.328 1.00 0.00 H new ATOM 1015 N GLY A 62 1.122 9.646 -12.049 1.00 0.00 N ATOM 1016 CA GLY A 62 0.976 8.242 -12.378 1.00 0.00 C ATOM 1017 C GLY A 62 1.270 7.338 -11.201 1.00 0.00 C ATOM 1018 O GLY A 62 1.739 6.214 -11.376 1.00 0.00 O ATOM 0 H GLY A 62 0.313 10.066 -11.591 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.039 8.058 -12.729 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.647 7.993 -13.200 1.00 0.00 H new ATOM 1022 N LEU A 63 0.998 7.831 -9.996 1.00 0.00 N ATOM 1023 CA LEU A 63 1.233 7.058 -8.780 1.00 0.00 C ATOM 1024 C LEU A 63 0.680 5.641 -8.923 1.00 0.00 C ATOM 1025 O LEU A 63 -0.426 5.444 -9.425 1.00 0.00 O ATOM 1026 CB LEU A 63 0.595 7.758 -7.580 1.00 0.00 C ATOM 1027 CG LEU A 63 1.115 7.302 -6.218 1.00 0.00 C ATOM 1028 CD1 LEU A 63 0.696 5.868 -5.953 1.00 0.00 C ATOM 1029 CD2 LEU A 63 2.630 7.439 -6.152 1.00 0.00 C ATOM 0 H LEU A 63 0.615 8.762 -9.835 1.00 0.00 H new ATOM 0 HA LEU A 63 2.309 6.989 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.759 8.831 -7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.482 7.596 -7.614 1.00 0.00 H new ATOM 0 HG LEU A 63 0.682 7.939 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.072 5.553 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.392 5.799 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.106 5.220 -6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.983 7.110 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.085 6.824 -6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.908 8.482 -6.306 1.00 0.00 H new ATOM 1041 N THR A 64 1.464 4.656 -8.492 1.00 0.00 N ATOM 1042 CA THR A 64 1.054 3.260 -8.591 1.00 0.00 C ATOM 1043 C THR A 64 0.701 2.673 -7.226 1.00 0.00 C ATOM 1044 O THR A 64 1.297 3.022 -6.207 1.00 0.00 O ATOM 1045 CB THR A 64 2.163 2.430 -9.241 1.00 0.00 C ATOM 1046 OG1 THR A 64 3.325 2.424 -8.431 1.00 0.00 O ATOM 1047 CG2 THR A 64 2.560 2.931 -10.612 1.00 0.00 C ATOM 0 H THR A 64 2.383 4.799 -8.073 1.00 0.00 H new ATOM 0 HA THR A 64 0.159 3.225 -9.211 1.00 0.00 H new ATOM 0 HB THR A 64 1.750 1.427 -9.345 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.022 1.887 -8.863 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.350 2.298 -11.016 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.696 2.900 -11.275 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.921 3.957 -10.534 1.00 0.00 H new ATOM 1055 N MET A 65 -0.272 1.768 -7.225 1.00 0.00 N ATOM 1056 CA MET A 65 -0.717 1.113 -6.003 1.00 0.00 C ATOM 1057 C MET A 65 -0.573 -0.400 -6.126 1.00 0.00 C ATOM 1058 O MET A 65 -0.496 -0.931 -7.234 1.00 0.00 O ATOM 1059 CB MET A 65 -2.172 1.476 -5.705 1.00 0.00 C ATOM 1060 CG MET A 65 -2.337 2.836 -5.043 1.00 0.00 C ATOM 1061 SD MET A 65 -2.352 4.190 -6.233 1.00 0.00 S ATOM 1062 CE MET A 65 -3.822 3.797 -7.176 1.00 0.00 C ATOM 0 H MET A 65 -0.770 1.471 -8.064 1.00 0.00 H new ATOM 0 HA MET A 65 -0.091 1.459 -5.180 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.739 1.463 -6.636 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.603 0.712 -5.058 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.266 2.848 -4.473 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.525 2.991 -4.332 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.545 3.575 -8.206 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.314 2.929 -6.738 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.503 4.648 -7.159 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.527 -1.121 -4.994 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.613 -0.547 -3.646 1.00 0.00 C ATOM 1074 C PRO A 66 0.708 0.066 -3.181 1.00 0.00 C ATOM 1075 O PRO A 66 1.785 -0.374 -3.582 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.966 -1.756 -2.763 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.199 -2.891 -3.706 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.396 -2.575 -4.930 1.00 0.00 C ATOM 0 HA PRO A 66 -1.339 0.265 -3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.157 -1.983 -2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.854 -1.557 -2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.884 -3.837 -3.265 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.258 -2.988 -3.947 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.643 -2.890 -4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.794 -3.063 -5.820 1.00 0.00 H new ATOM 1086 N GLN A 67 0.614 1.066 -2.309 1.00 0.00 N ATOM 1087 CA GLN A 67 1.797 1.725 -1.763 1.00 0.00 C ATOM 1088 C GLN A 67 1.903 1.443 -0.268 1.00 0.00 C ATOM 1089 O GLN A 67 1.026 1.821 0.505 1.00 0.00 O ATOM 1090 CB GLN A 67 1.737 3.233 -2.015 1.00 0.00 C ATOM 1091 CG GLN A 67 2.215 3.636 -3.402 1.00 0.00 C ATOM 1092 CD GLN A 67 3.233 4.761 -3.369 1.00 0.00 C ATOM 1093 OE1 GLN A 67 3.662 5.196 -2.299 1.00 0.00 O ATOM 1094 NE2 GLN A 67 3.630 5.233 -4.545 1.00 0.00 N ATOM 0 H GLN A 67 -0.271 1.438 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 67 2.681 1.329 -2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.711 3.576 -1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.345 3.743 -1.268 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.654 2.769 -3.896 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.358 3.945 -4.001 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.248 4.843 -5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.317 5.986 -4.587 1.00 0.00 H new ATOM 1103 N VAL A 68 2.964 0.753 0.132 1.00 0.00 N ATOM 1104 CA VAL A 68 3.151 0.404 1.535 1.00 0.00 C ATOM 1105 C VAL A 68 3.904 1.487 2.302 1.00 0.00 C ATOM 1106 O VAL A 68 4.675 2.255 1.726 1.00 0.00 O ATOM 1107 CB VAL A 68 3.891 -0.940 1.697 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.627 -1.527 3.075 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.481 -1.921 0.606 1.00 0.00 C ATOM 0 H VAL A 68 3.703 0.426 -0.490 1.00 0.00 H new ATOM 0 HA VAL A 68 2.150 0.312 1.955 1.00 0.00 H new ATOM 0 HB VAL A 68 4.961 -0.756 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.156 -2.475 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.979 -0.834 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.557 -1.693 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.016 -2.861 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.408 -2.103 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.725 -1.502 -0.370 1.00 0.00 H new ATOM 1119 N PHE A 69 3.674 1.537 3.614 1.00 0.00 N ATOM 1120 CA PHE A 69 4.323 2.525 4.472 1.00 0.00 C ATOM 1121 C PHE A 69 4.681 1.926 5.828 1.00 0.00 C ATOM 1122 O PHE A 69 3.908 1.165 6.405 1.00 0.00 O ATOM 1123 CB PHE A 69 3.406 3.729 4.668 1.00 0.00 C ATOM 1124 CG PHE A 69 3.470 4.700 3.532 1.00 0.00 C ATOM 1125 CD1 PHE A 69 2.679 4.523 2.409 1.00 0.00 C ATOM 1126 CD2 PHE A 69 4.331 5.782 3.582 1.00 0.00 C ATOM 1127 CE1 PHE A 69 2.746 5.411 1.354 1.00 0.00 C ATOM 1128 CE2 PHE A 69 4.403 6.673 2.530 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.609 6.488 1.414 1.00 0.00 C ATOM 0 H PHE A 69 3.043 0.904 4.105 1.00 0.00 H new ATOM 0 HA PHE A 69 5.244 2.843 3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.379 3.382 4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.678 4.240 5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.003 3.682 2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.953 5.931 4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.125 5.264 0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.079 7.514 2.579 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.663 7.184 0.590 1.00 0.00 H new ATOM 1139 N ALA A 70 5.864 2.275 6.325 1.00 0.00 N ATOM 1140 CA ALA A 70 6.341 1.767 7.608 1.00 0.00 C ATOM 1141 C ALA A 70 5.358 2.100 8.730 1.00 0.00 C ATOM 1142 O ALA A 70 4.752 3.172 8.728 1.00 0.00 O ATOM 1143 CB ALA A 70 7.712 2.345 7.927 1.00 0.00 C ATOM 0 H ALA A 70 6.512 2.909 5.858 1.00 0.00 H new ATOM 0 HA ALA A 70 6.420 0.682 7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.056 1.958 8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.418 2.060 7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.646 3.432 7.977 1.00 0.00 H new ATOM 1149 N PRO A 71 5.199 1.192 9.715 1.00 0.00 N ATOM 1150 CA PRO A 71 4.304 1.381 10.859 1.00 0.00 C ATOM 1151 C PRO A 71 4.237 2.834 11.320 1.00 0.00 C ATOM 1152 O PRO A 71 3.187 3.314 11.748 1.00 0.00 O ATOM 1153 CB PRO A 71 4.932 0.498 11.953 1.00 0.00 C ATOM 1154 CG PRO A 71 6.070 -0.236 11.303 1.00 0.00 C ATOM 1155 CD PRO A 71 5.896 -0.090 9.817 1.00 0.00 C ATOM 0 HA PRO A 71 3.275 1.117 10.615 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.286 1.105 12.786 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.199 -0.201 12.357 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.027 0.177 11.622 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.065 -1.287 11.590 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.852 -0.077 9.294 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.312 -0.907 9.393 1.00 0.00 H new ATOM 1163 N ASP A 72 5.365 3.523 11.224 1.00 0.00 N ATOM 1164 CA ASP A 72 5.447 4.921 11.623 1.00 0.00 C ATOM 1165 C ASP A 72 6.780 5.515 11.187 1.00 0.00 C ATOM 1166 O ASP A 72 7.346 6.369 11.869 1.00 0.00 O ATOM 1167 CB ASP A 72 5.277 5.057 13.136 1.00 0.00 C ATOM 1168 CG ASP A 72 4.090 5.923 13.511 1.00 0.00 C ATOM 1169 OD1 ASP A 72 3.666 6.744 12.671 1.00 0.00 O ATOM 1170 OD2 ASP A 72 3.587 5.780 14.644 1.00 0.00 O ATOM 0 H ASP A 72 6.240 3.135 10.872 1.00 0.00 H new ATOM 0 HA ASP A 72 4.641 5.469 11.134 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.154 4.067 13.575 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.184 5.484 13.563 1.00 0.00 H new ATOM 1175 N GLY A 73 7.279 5.046 10.047 1.00 0.00 N ATOM 1176 CA GLY A 73 8.550 5.532 9.535 1.00 0.00 C ATOM 1177 C GLY A 73 8.400 6.307 8.243 1.00 0.00 C ATOM 1178 O GLY A 73 7.953 7.453 8.244 1.00 0.00 O ATOM 0 H GLY A 73 6.827 4.338 9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.019 6.170 10.284 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.219 4.687 9.372 1.00 0.00 H new ATOM 1182 N SER A 74 8.781 5.676 7.138 1.00 0.00 N ATOM 1183 CA SER A 74 8.694 6.307 5.825 1.00 0.00 C ATOM 1184 C SER A 74 8.175 5.325 4.785 1.00 0.00 C ATOM 1185 O SER A 74 7.894 4.166 5.091 1.00 0.00 O ATOM 1186 CB SER A 74 10.064 6.840 5.401 1.00 0.00 C ATOM 1187 OG SER A 74 10.666 7.586 6.445 1.00 0.00 O ATOM 0 H SER A 74 9.154 4.727 7.125 1.00 0.00 H new ATOM 0 HA SER A 74 7.993 7.139 5.894 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.712 6.008 5.124 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.956 7.468 4.517 1.00 0.00 H new ATOM 0 HG SER A 74 11.541 7.914 6.150 1.00 0.00 H new ATOM 1193 N HIS A 75 8.046 5.801 3.554 1.00 0.00 N ATOM 1194 CA HIS A 75 7.559 4.978 2.457 1.00 0.00 C ATOM 1195 C HIS A 75 8.516 3.823 2.175 1.00 0.00 C ATOM 1196 O HIS A 75 9.706 4.035 1.941 1.00 0.00 O ATOM 1197 CB HIS A 75 7.387 5.838 1.207 1.00 0.00 C ATOM 1198 CG HIS A 75 6.853 5.090 0.027 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.471 5.053 -1.203 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.725 4.345 -0.097 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.715 4.306 -2.020 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.645 3.852 -1.396 1.00 0.00 N ATOM 0 H HIS A 75 8.274 6.759 3.290 1.00 0.00 H new ATOM 0 HA HIS A 75 6.595 4.556 2.740 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.714 6.664 1.436 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.350 6.275 0.943 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.005 4.164 0.687 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.951 4.102 -3.054 1.00 0.00 H new ATOM 0 HE2 HIS A 75 4.910 3.261 -1.785 1.00 0.00 H new ATOM 1210 N ILE A 76 7.991 2.600 2.196 1.00 0.00 N ATOM 1211 CA ILE A 76 8.804 1.415 1.937 1.00 0.00 C ATOM 1212 C ILE A 76 8.655 0.971 0.485 1.00 0.00 C ATOM 1213 O ILE A 76 9.571 0.386 -0.093 1.00 0.00 O ATOM 1214 CB ILE A 76 8.431 0.259 2.900 1.00 0.00 C ATOM 1215 CG1 ILE A 76 9.025 0.521 4.281 1.00 0.00 C ATOM 1216 CG2 ILE A 76 8.902 -1.093 2.381 1.00 0.00 C ATOM 1217 CD1 ILE A 76 8.003 0.992 5.281 1.00 0.00 C ATOM 0 H ILE A 76 7.009 2.404 2.389 1.00 0.00 H new ATOM 0 HA ILE A 76 9.847 1.677 2.115 1.00 0.00 H new ATOM 0 HB ILE A 76 7.344 0.225 2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.491 -0.393 4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.813 1.269 4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.619 -1.873 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.439 -1.293 1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.986 -1.082 2.268 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.486 1.161 6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.554 1.922 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.227 0.234 5.393 1.00 0.00 H new ATOM 1229 N GLY A 77 7.500 1.264 -0.100 1.00 0.00 N ATOM 1230 CA GLY A 77 7.261 0.901 -1.485 1.00 0.00 C ATOM 1231 C GLY A 77 6.065 -0.010 -1.660 1.00 0.00 C ATOM 1232 O GLY A 77 5.195 -0.079 -0.795 1.00 0.00 O ATOM 0 H GLY A 77 6.726 1.745 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.109 1.807 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.148 0.408 -1.884 1.00 0.00 H new ATOM 1236 N GLY A 78 6.019 -0.706 -2.793 1.00 0.00 N ATOM 1237 CA GLY A 78 4.915 -1.607 -3.068 1.00 0.00 C ATOM 1238 C GLY A 78 5.247 -3.050 -2.745 1.00 0.00 C ATOM 1239 O GLY A 78 5.761 -3.349 -1.668 1.00 0.00 O ATOM 0 H GLY A 78 6.728 -0.661 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.046 -1.299 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.639 -1.528 -4.120 1.00 0.00 H new ATOM 1243 N PHE A 79 4.952 -3.949 -3.679 1.00 0.00 N ATOM 1244 CA PHE A 79 5.221 -5.369 -3.484 1.00 0.00 C ATOM 1245 C PHE A 79 6.706 -5.675 -3.663 1.00 0.00 C ATOM 1246 O PHE A 79 7.406 -5.980 -2.697 1.00 0.00 O ATOM 1247 CB PHE A 79 4.389 -6.204 -4.462 1.00 0.00 C ATOM 1248 CG PHE A 79 4.790 -7.652 -4.515 1.00 0.00 C ATOM 1249 CD1 PHE A 79 5.018 -8.363 -3.348 1.00 0.00 C ATOM 1250 CD2 PHE A 79 4.942 -8.299 -5.731 1.00 0.00 C ATOM 1251 CE1 PHE A 79 5.389 -9.691 -3.392 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.315 -9.629 -5.781 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.539 -10.325 -4.610 1.00 0.00 C ATOM 0 H PHE A 79 4.527 -3.719 -4.577 1.00 0.00 H new ATOM 0 HA PHE A 79 4.940 -5.631 -2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.338 -6.137 -4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.479 -5.775 -5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.904 -7.872 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.767 -7.758 -6.649 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.562 -10.234 -2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.431 -10.123 -6.734 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.831 -11.364 -4.646 1.00 0.00 H new ATOM 1263 N ASP A 80 7.181 -5.595 -4.902 1.00 0.00 N ATOM 1264 CA ASP A 80 8.582 -5.867 -5.202 1.00 0.00 C ATOM 1265 C ASP A 80 9.493 -4.950 -4.393 1.00 0.00 C ATOM 1266 O ASP A 80 10.455 -5.403 -3.769 1.00 0.00 O ATOM 1267 CB ASP A 80 8.853 -5.686 -6.696 1.00 0.00 C ATOM 1268 CG ASP A 80 10.219 -6.205 -7.102 1.00 0.00 C ATOM 1269 OD1 ASP A 80 10.561 -7.342 -6.716 1.00 0.00 O ATOM 1270 OD2 ASP A 80 10.946 -5.473 -7.806 1.00 0.00 O ATOM 0 H ASP A 80 6.617 -5.344 -5.714 1.00 0.00 H new ATOM 0 HA ASP A 80 8.794 -6.900 -4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.085 -6.207 -7.268 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.778 -4.629 -6.951 1.00 0.00 H new ATOM 1275 N GLN A 81 9.181 -3.660 -4.405 1.00 0.00 N ATOM 1276 CA GLN A 81 9.966 -2.677 -3.670 1.00 0.00 C ATOM 1277 C GLN A 81 10.079 -3.074 -2.203 1.00 0.00 C ATOM 1278 O GLN A 81 11.164 -3.037 -1.620 1.00 0.00 O ATOM 1279 CB GLN A 81 9.328 -1.292 -3.793 1.00 0.00 C ATOM 1280 CG GLN A 81 10.130 -0.326 -4.648 1.00 0.00 C ATOM 1281 CD GLN A 81 9.611 -0.240 -6.070 1.00 0.00 C ATOM 1282 OE1 GLN A 81 10.192 -0.816 -6.991 1.00 0.00 O ATOM 1283 NE2 GLN A 81 8.513 0.484 -6.256 1.00 0.00 N ATOM 0 H GLN A 81 8.389 -3.270 -4.916 1.00 0.00 H new ATOM 0 HA GLN A 81 10.967 -2.643 -4.099 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.330 -1.398 -4.218 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.207 -0.867 -2.796 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.102 0.665 -4.194 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.174 -0.640 -4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.065 0.944 -5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.118 0.580 -7.191 1.00 0.00 H new ATOM 1292 N LEU A 82 8.954 -3.461 -1.611 1.00 0.00 N ATOM 1293 CA LEU A 82 8.936 -3.872 -0.214 1.00 0.00 C ATOM 1294 C LEU A 82 9.711 -5.165 -0.016 1.00 0.00 C ATOM 1295 O LEU A 82 10.432 -5.316 0.969 1.00 0.00 O ATOM 1296 CB LEU A 82 7.513 -4.029 0.292 1.00 0.00 C ATOM 1297 CG LEU A 82 7.436 -4.522 1.731 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.491 -3.671 2.552 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.030 -5.974 1.744 1.00 0.00 C ATOM 0 H LEU A 82 8.047 -3.498 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 82 9.421 -3.087 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.000 -3.070 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.980 -4.728 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 82 8.420 -4.432 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.457 -4.048 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.842 -2.639 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.493 -3.713 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.975 -6.327 2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.055 -6.083 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.767 -6.563 1.198 1.00 0.00 H new ATOM 1311 N ARG A 83 9.589 -6.090 -0.963 1.00 0.00 N ATOM 1312 CA ARG A 83 10.319 -7.352 -0.876 1.00 0.00 C ATOM 1313 C ARG A 83 11.795 -7.061 -0.637 1.00 0.00 C ATOM 1314 O ARG A 83 12.497 -7.832 0.016 1.00 0.00 O ATOM 1315 CB ARG A 83 10.136 -8.170 -2.158 1.00 0.00 C ATOM 1316 CG ARG A 83 9.652 -9.589 -1.909 1.00 0.00 C ATOM 1317 CD ARG A 83 10.108 -10.535 -3.009 1.00 0.00 C ATOM 1318 NE ARG A 83 9.325 -10.372 -4.232 1.00 0.00 N ATOM 1319 CZ ARG A 83 9.603 -10.991 -5.378 1.00 0.00 C ATOM 1320 NH1 ARG A 83 10.641 -11.816 -5.461 1.00 0.00 N ATOM 1321 NH2 ARG A 83 8.841 -10.787 -6.443 1.00 0.00 N ATOM 0 H ARG A 83 9.000 -5.993 -1.790 1.00 0.00 H new ATOM 0 HA ARG A 83 9.926 -7.938 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.423 -7.660 -2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.084 -8.207 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.028 -9.939 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.564 -9.598 -1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.161 -10.357 -3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.024 -11.564 -2.660 1.00 0.00 H new ATOM 0 HE ARG A 83 8.519 -9.748 -4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.230 -11.978 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.849 -12.287 -6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.042 -10.156 -6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.054 -11.261 -7.321 1.00 0.00 H new ATOM 1335 N GLU A 84 12.247 -5.915 -1.148 1.00 0.00 N ATOM 1336 CA GLU A 84 13.626 -5.491 -0.964 1.00 0.00 C ATOM 1337 C GLU A 84 13.828 -5.057 0.482 1.00 0.00 C ATOM 1338 O GLU A 84 14.885 -5.286 1.071 1.00 0.00 O ATOM 1339 CB GLU A 84 13.970 -4.342 -1.915 1.00 0.00 C ATOM 1340 CG GLU A 84 15.428 -4.323 -2.342 1.00 0.00 C ATOM 1341 CD GLU A 84 15.774 -5.458 -3.283 1.00 0.00 C ATOM 1342 OE1 GLU A 84 16.138 -6.547 -2.792 1.00 0.00 O ATOM 1343 OE2 GLU A 84 15.682 -5.259 -4.513 1.00 0.00 O ATOM 0 H GLU A 84 11.675 -5.268 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 84 14.289 -6.326 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.341 -4.415 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.729 -3.396 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.648 -3.373 -2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.063 -4.383 -1.458 1.00 0.00 H new ATOM 1350 N TYR A 85 12.787 -4.455 1.057 1.00 0.00 N ATOM 1351 CA TYR A 85 12.825 -4.018 2.443 1.00 0.00 C ATOM 1352 C TYR A 85 12.951 -5.235 3.352 1.00 0.00 C ATOM 1353 O TYR A 85 13.578 -5.182 4.409 1.00 0.00 O ATOM 1354 CB TYR A 85 11.551 -3.236 2.772 1.00 0.00 C ATOM 1355 CG TYR A 85 11.533 -2.634 4.158 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.031 -3.346 5.239 1.00 0.00 C ATOM 1357 CD2 TYR A 85 12.008 -1.348 4.382 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.004 -2.795 6.506 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.984 -0.789 5.645 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.481 -1.517 6.703 1.00 0.00 C ATOM 1361 OH TYR A 85 11.456 -0.964 7.964 1.00 0.00 O ATOM 0 H TYR A 85 11.907 -4.261 0.579 1.00 0.00 H new ATOM 0 HA TYR A 85 13.685 -3.366 2.600 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.429 -2.438 2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.693 -3.900 2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.655 -4.347 5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.402 -0.776 3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.611 -3.362 7.337 1.00 0.00 H new ATOM 0 HE2 TYR A 85 12.357 0.212 5.803 1.00 0.00 H new ATOM 0 HH TYR A 85 11.829 -0.058 7.932 1.00 0.00 H new ATOM 1371 N PHE A 86 12.354 -6.337 2.905 1.00 0.00 N ATOM 1372 CA PHE A 86 12.383 -7.598 3.636 1.00 0.00 C ATOM 1373 C PHE A 86 13.501 -8.512 3.136 1.00 0.00 C ATOM 1374 O PHE A 86 13.823 -9.516 3.772 1.00 0.00 O ATOM 1375 CB PHE A 86 11.032 -8.301 3.503 1.00 0.00 C ATOM 1376 CG PHE A 86 10.013 -7.808 4.487 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.115 -8.136 5.828 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.961 -7.009 4.074 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.188 -7.674 6.741 1.00 0.00 C ATOM 1380 CE2 PHE A 86 8.027 -6.546 4.982 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.142 -6.880 6.317 1.00 0.00 C ATOM 0 H PHE A 86 11.837 -6.380 2.027 1.00 0.00 H new ATOM 0 HA PHE A 86 12.580 -7.377 4.685 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.652 -8.156 2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.172 -9.373 3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.929 -8.761 6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.869 -6.744 3.031 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.281 -7.934 7.785 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.209 -5.925 4.648 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.414 -6.520 7.029 1.00 0.00 H new ATOM 1391 N LYS A 87 14.092 -8.161 1.996 1.00 0.00 N ATOM 1392 CA LYS A 87 15.171 -8.954 1.419 1.00 0.00 C ATOM 1393 C LYS A 87 14.696 -10.367 1.099 1.00 0.00 C ATOM 1394 O LYS A 87 13.521 -10.676 1.390 1.00 0.00 O ATOM 1395 CB LYS A 87 16.361 -9.008 2.379 1.00 0.00 C ATOM 1396 CG LYS A 87 17.176 -7.726 2.407 1.00 0.00 C ATOM 1397 CD LYS A 87 18.662 -8.014 2.545 1.00 0.00 C ATOM 1398 CE LYS A 87 19.114 -7.925 3.993 1.00 0.00 C ATOM 1399 NZ LYS A 87 19.334 -6.515 4.420 1.00 0.00 N ATOM 1400 OXT LYS A 87 15.502 -11.153 0.557 1.00 0.00 O ATOM 0 H LYS A 87 13.841 -7.333 1.455 1.00 0.00 H new ATOM 0 HA LYS A 87 15.484 -8.477 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.997 -9.220 3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.010 -9.836 2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.997 -7.160 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.846 -7.102 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.879 -9.009 2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 87 19.229 -7.305 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.365 -8.387 4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 87 20.037 -8.491 4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 19.641 -6.497 5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 20.067 -6.082 3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.447 -5.980 4.322 1.00 0.00 H new