USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 778 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 48 MET CE :methyl 180:sc= -0.144 (180deg=-0.144) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.37 K(o=-0.51,f=-2.7) USER MOD Set 2.1: A 1 MET N :NH3+ -137:sc= -0.121 (180deg=-0.802) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.228 (180deg=-0.587) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0791 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0611) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.8!) USER MOD Single : A 25 LYS NZ :NH3+ -147:sc= 2.31 (180deg=1.26) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= 0.00229 K(o=0.0023,f=-2.9) USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0614) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0184) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 68:sc= 0.552 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0503) USER MOD Single : A 73 LYS NZ :NH3+ -124:sc=-0.00676 (180deg=-0.884) USER MOD Single : A 75 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.48) USER MOD Single : A 78 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.32) USER MOD Single : A 80 HIS : no HE2:sc= 0.588 K(o=0.59,f=-3!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0.772 K(o=0.77,f=-0.018) USER MOD Single : A 88 HIS : no HE2:sc= -0.155 K(o=-0.16,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.113 -1.473 8.745 1.00 -0.46 N ATOM 2 CA MET A 1 -14.594 -2.781 9.113 1.00 0.04 C ATOM 3 C MET A 1 -13.115 -2.874 8.729 1.00 0.62 C ATOM 4 O MET A 1 -12.533 -1.899 8.252 1.00 -0.50 O ATOM 5 CB MET A 1 -15.415 -3.894 8.443 1.00 -0.15 C ATOM 6 CG MET A 1 -16.937 -3.793 8.620 1.00 -0.05 C ATOM 7 SD MET A 1 -17.606 -3.994 10.298 1.00 0.74 S ATOM 8 CE MET A 1 -17.514 -2.310 10.966 1.00 -0.13 C ATOM 0 H1 MET A 1 -15.710 -1.107 9.514 1.00 -0.46 H new ATOM 0 H2 MET A 1 -14.321 -0.819 8.581 1.00 -0.46 H new ATOM 0 H3 MET A 1 -15.679 -1.556 7.877 1.00 -0.46 H new ATOM 0 HA MET A 1 -14.680 -2.912 10.192 1.00 0.04 H new ATOM 0 HB2 MET A 1 -15.190 -3.895 7.376 1.00 -0.15 H new ATOM 0 HB3 MET A 1 -15.084 -4.854 8.839 1.00 -0.15 H new ATOM 0 HG2 MET A 1 -17.254 -2.819 8.246 1.00 -0.05 H new ATOM 0 HG3 MET A 1 -17.400 -4.546 7.982 1.00 -0.05 H new ATOM 0 HE1 MET A 1 -18.154 -2.232 11.845 1.00 -0.13 H new ATOM 0 HE2 MET A 1 -16.485 -2.085 11.245 1.00 -0.13 H new ATOM 0 HE3 MET A 1 -17.848 -1.600 10.210 1.00 -0.13 H new ATOM 18 N PHE A 2 -12.499 -4.044 8.947 1.00 -0.46 N ATOM 19 CA PHE A 2 -11.091 -4.298 8.662 1.00 0.04 C ATOM 20 C PHE A 2 -10.183 -3.341 9.454 1.00 0.62 C ATOM 21 O PHE A 2 -10.649 -2.593 10.314 1.00 -0.50 O ATOM 22 CB PHE A 2 -10.830 -4.235 7.146 1.00 -0.10 C ATOM 23 CG PHE A 2 -11.765 -5.072 6.291 1.00 -0.10 C ATOM 24 CD1 PHE A 2 -11.527 -6.448 6.115 1.00 -0.15 C ATOM 25 CD2 PHE A 2 -12.862 -4.470 5.646 1.00 -0.15 C ATOM 26 CE1 PHE A 2 -12.365 -7.210 5.282 1.00 -0.15 C ATOM 27 CE2 PHE A 2 -13.706 -5.234 4.825 1.00 -0.15 C ATOM 28 CZ PHE A 2 -13.461 -6.606 4.644 1.00 -0.15 C ATOM 0 H PHE A 2 -12.982 -4.854 9.335 1.00 -0.46 H new ATOM 0 HA PHE A 2 -10.843 -5.307 8.993 1.00 0.04 H new ATOM 0 HB2 PHE A 2 -10.903 -3.196 6.824 1.00 -0.10 H new ATOM 0 HB3 PHE A 2 -9.806 -4.556 6.957 1.00 -0.10 H new ATOM 0 HD1 PHE A 2 -10.698 -6.920 6.621 1.00 -0.15 H new ATOM 0 HD2 PHE A 2 -13.055 -3.416 5.783 1.00 -0.15 H new ATOM 0 HE1 PHE A 2 -12.166 -8.261 5.133 1.00 -0.15 H new ATOM 0 HE2 PHE A 2 -14.545 -4.767 4.331 1.00 -0.15 H new ATOM 0 HZ PHE A 2 -14.114 -7.194 4.016 1.00 -0.15 H new ATOM 38 N THR A 3 -8.876 -3.362 9.171 1.00 -0.46 N ATOM 39 CA THR A 3 -7.918 -2.428 9.749 1.00 0.04 C ATOM 40 C THR A 3 -6.778 -2.235 8.750 1.00 0.62 C ATOM 41 O THR A 3 -5.713 -2.835 8.895 1.00 -0.50 O ATOM 42 CB THR A 3 -7.417 -2.928 11.119 1.00 0.17 C ATOM 43 OG1 THR A 3 -8.498 -3.286 11.954 1.00 -0.55 O ATOM 44 CG2 THR A 3 -6.604 -1.843 11.834 1.00 -0.19 C ATOM 0 H THR A 3 -8.456 -4.034 8.529 1.00 -0.46 H new ATOM 0 HA THR A 3 -8.393 -1.465 9.935 1.00 0.04 H new ATOM 0 HB THR A 3 -6.790 -3.799 10.929 1.00 0.17 H new ATOM 0 HG1 THR A 3 -8.155 -3.601 12.816 1.00 -0.55 H new ATOM 0 HG21 THR A 3 -6.262 -2.220 12.798 1.00 -0.19 H new ATOM 0 HG22 THR A 3 -5.742 -1.573 11.224 1.00 -0.19 H new ATOM 0 HG23 THR A 3 -7.229 -0.963 11.990 1.00 -0.19 H new ATOM 52 N ILE A 4 -7.004 -1.402 7.726 1.00 -0.46 N ATOM 53 CA ILE A 4 -5.983 -1.104 6.734 1.00 0.04 C ATOM 54 C ILE A 4 -5.016 -0.112 7.384 1.00 0.62 C ATOM 55 O ILE A 4 -5.285 1.089 7.435 1.00 -0.50 O ATOM 56 CB ILE A 4 -6.600 -0.587 5.416 1.00 -0.01 C ATOM 57 CG1 ILE A 4 -7.391 -1.661 4.644 1.00 -0.05 C ATOM 58 CG2 ILE A 4 -5.491 -0.106 4.469 1.00 -0.09 C ATOM 59 CD1 ILE A 4 -8.667 -2.143 5.337 1.00 -0.09 C ATOM 0 H ILE A 4 -7.892 -0.924 7.569 1.00 -0.46 H new ATOM 0 HA ILE A 4 -5.441 -2.003 6.441 1.00 0.04 H new ATOM 0 HB ILE A 4 -7.278 0.214 5.711 1.00 -0.01 H new ATOM 0 HG12 ILE A 4 -7.655 -1.263 3.664 1.00 -0.05 H new ATOM 0 HG13 ILE A 4 -6.740 -2.519 4.475 1.00 -0.05 H new ATOM 0 HG21 ILE A 4 -5.936 0.257 3.542 1.00 -0.09 H new ATOM 0 HG22 ILE A 4 -4.932 0.701 4.943 1.00 -0.09 H new ATOM 0 HG23 ILE A 4 -4.817 -0.934 4.248 1.00 -0.09 H new ATOM 0 HD11 ILE A 4 -9.154 -2.897 4.719 1.00 -0.09 H new ATOM 0 HD12 ILE A 4 -8.414 -2.576 6.305 1.00 -0.09 H new ATOM 0 HD13 ILE A 4 -9.343 -1.300 5.482 1.00 -0.09 H new ATOM 71 N ASN A 5 -3.898 -0.632 7.900 1.00 -0.46 N ATOM 72 CA ASN A 5 -2.829 0.170 8.471 1.00 0.04 C ATOM 73 C ASN A 5 -2.159 0.960 7.349 1.00 0.62 C ATOM 74 O ASN A 5 -1.567 0.364 6.450 1.00 -0.50 O ATOM 75 CB ASN A 5 -1.829 -0.746 9.185 1.00 -0.09 C ATOM 76 CG ASN A 5 -0.626 0.028 9.722 1.00 0.68 C ATOM 77 OD1 ASN A 5 0.505 -0.222 9.315 1.00 -0.47 O ATOM 78 ND2 ASN A 5 -0.865 0.966 10.641 1.00 -0.87 N ATOM 0 H ASN A 5 -3.715 -1.635 7.930 1.00 -0.46 H new ATOM 0 HA ASN A 5 -3.224 0.872 9.206 1.00 0.04 H new ATOM 0 HB2 ASN A 5 -2.329 -1.256 10.008 1.00 -0.09 H new ATOM 0 HB3 ASN A 5 -1.486 -1.516 8.494 1.00 -0.09 H new ATOM 0 HD21 ASN A 5 -0.093 1.506 11.032 1.00 -0.87 H new ATOM 0 HD22 ASN A 5 -1.820 1.143 10.953 1.00 -0.87 H new ATOM 85 N ALA A 6 -2.276 2.292 7.398 1.00 -0.46 N ATOM 86 CA ALA A 6 -1.732 3.194 6.396 1.00 0.04 C ATOM 87 C ALA A 6 -0.962 4.327 7.071 1.00 0.62 C ATOM 88 O ALA A 6 -0.952 4.451 8.295 1.00 -0.50 O ATOM 89 CB ALA A 6 -2.874 3.743 5.541 1.00 -0.10 C ATOM 0 H ALA A 6 -2.762 2.775 8.153 1.00 -0.46 H new ATOM 0 HA ALA A 6 -1.038 2.653 5.753 1.00 0.04 H new ATOM 0 HB1 ALA A 6 -2.471 4.420 4.788 1.00 -0.10 H new ATOM 0 HB2 ALA A 6 -3.389 2.918 5.049 1.00 -0.10 H new ATOM 0 HB3 ALA A 6 -3.577 4.283 6.176 1.00 -0.10 H new ATOM 95 N GLU A 7 -0.317 5.156 6.248 1.00 -0.46 N ATOM 96 CA GLU A 7 0.431 6.325 6.678 1.00 0.04 C ATOM 97 C GLU A 7 0.422 7.329 5.522 1.00 0.62 C ATOM 98 O GLU A 7 0.031 6.976 4.410 1.00 -0.50 O ATOM 99 CB GLU A 7 1.843 5.886 7.098 1.00 -0.18 C ATOM 100 CG GLU A 7 2.498 6.859 8.089 1.00 -0.40 C ATOM 101 CD GLU A 7 3.808 6.321 8.669 1.00 0.71 C ATOM 102 OE1 GLU A 7 4.246 5.236 8.228 1.00 -0.72 O ATOM 103 OE2 GLU A 7 4.360 7.018 9.548 1.00 -0.72 O ATOM 0 H GLU A 7 -0.304 5.023 5.237 1.00 -0.46 H new ATOM 0 HA GLU A 7 -0.014 6.810 7.547 1.00 0.04 H new ATOM 0 HB2 GLU A 7 1.791 4.895 7.549 1.00 -0.18 H new ATOM 0 HB3 GLU A 7 2.471 5.800 6.211 1.00 -0.18 H new ATOM 0 HG2 GLU A 7 2.690 7.807 7.587 1.00 -0.40 H new ATOM 0 HG3 GLU A 7 1.803 7.065 8.903 1.00 -0.40 H new ATOM 110 N VAL A 8 0.816 8.580 5.786 1.00 -0.46 N ATOM 111 CA VAL A 8 0.716 9.698 4.847 1.00 0.04 C ATOM 112 C VAL A 8 1.834 9.665 3.792 1.00 0.62 C ATOM 113 O VAL A 8 2.589 10.624 3.637 1.00 -0.50 O ATOM 114 CB VAL A 8 0.651 11.027 5.629 1.00 -0.01 C ATOM 115 CG1 VAL A 8 -0.660 11.115 6.420 1.00 -0.09 C ATOM 116 CG2 VAL A 8 1.829 11.233 6.598 1.00 -0.09 C ATOM 0 H VAL A 8 1.223 8.847 6.682 1.00 -0.46 H new ATOM 0 HA VAL A 8 -0.210 9.605 4.279 1.00 0.04 H new ATOM 0 HB VAL A 8 0.707 11.815 4.878 1.00 -0.01 H new ATOM 0 HG11 VAL A 8 -0.692 12.057 6.967 1.00 -0.09 H new ATOM 0 HG12 VAL A 8 -1.504 11.065 5.732 1.00 -0.09 H new ATOM 0 HG13 VAL A 8 -0.717 10.285 7.124 1.00 -0.09 H new ATOM 0 HG21 VAL A 8 1.715 12.188 7.112 1.00 -0.09 H new ATOM 0 HG22 VAL A 8 1.843 10.426 7.331 1.00 -0.09 H new ATOM 0 HG23 VAL A 8 2.765 11.231 6.039 1.00 -0.09 H new ATOM 126 N ARG A 9 1.924 8.551 3.055 1.00 -0.46 N ATOM 127 CA ARG A 9 2.971 8.239 2.092 1.00 0.04 C ATOM 128 C ARG A 9 4.355 8.485 2.708 1.00 0.62 C ATOM 129 O ARG A 9 5.192 9.185 2.138 1.00 -0.50 O ATOM 130 CB ARG A 9 2.721 8.954 0.752 1.00 -0.08 C ATOM 131 CG ARG A 9 3.114 8.079 -0.450 1.00 -0.10 C ATOM 132 CD ARG A 9 4.595 7.670 -0.457 1.00 -0.23 C ATOM 133 NE ARG A 9 4.908 6.797 -1.596 1.00 -0.32 N ATOM 134 CZ ARG A 9 5.124 7.206 -2.858 1.00 0.76 C ATOM 135 NH1 ARG A 9 5.061 8.505 -3.185 1.00 -0.62 N ATOM 136 NH2 ARG A 9 5.407 6.299 -3.802 1.00 -0.62 N ATOM 0 H ARG A 9 1.228 7.808 3.123 1.00 -0.46 H new ATOM 0 HA ARG A 9 2.945 7.177 1.849 1.00 0.04 H new ATOM 0 HB2 ARG A 9 1.667 9.223 0.676 1.00 -0.08 H new ATOM 0 HB3 ARG A 9 3.290 9.883 0.725 1.00 -0.08 H new ATOM 0 HG2 ARG A 9 2.498 7.180 -0.451 1.00 -0.10 H new ATOM 0 HG3 ARG A 9 2.891 8.619 -1.370 1.00 -0.10 H new ATOM 0 HD2 ARG A 9 5.220 8.562 -0.499 1.00 -0.23 H new ATOM 0 HD3 ARG A 9 4.836 7.156 0.474 1.00 -0.23 H new ATOM 0 HE ARG A 9 4.966 5.795 -1.414 1.00 -0.32 H new ATOM 0 HH11 ARG A 9 4.846 9.201 -2.471 1.00 -0.62 H new ATOM 0 HH12 ARG A 9 5.228 8.797 -4.148 1.00 -0.62 H new ATOM 0 HH21 ARG A 9 5.457 5.309 -3.560 1.00 -0.62 H new ATOM 0 HH22 ARG A 9 5.573 6.598 -4.763 1.00 -0.62 H new ATOM 150 N LYS A 10 4.577 7.892 3.888 1.00 -0.46 N ATOM 151 CA LYS A 10 5.815 8.007 4.642 1.00 0.04 C ATOM 152 C LYS A 10 6.851 7.084 3.998 1.00 0.62 C ATOM 153 O LYS A 10 7.124 5.984 4.476 1.00 -0.50 O ATOM 154 CB LYS A 10 5.522 7.715 6.120 1.00 -0.10 C ATOM 155 CG LYS A 10 6.635 8.119 7.104 1.00 -0.16 C ATOM 156 CD LYS A 10 7.835 7.167 7.217 1.00 -0.18 C ATOM 157 CE LYS A 10 7.427 5.763 7.684 1.00 -0.04 C ATOM 158 NZ LYS A 10 8.592 4.872 7.805 1.00 -0.14 N ATOM 0 H LYS A 10 3.880 7.307 4.349 1.00 -0.46 H new ATOM 0 HA LYS A 10 6.235 9.012 4.615 1.00 0.04 H new ATOM 0 HB2 LYS A 10 4.605 8.234 6.401 1.00 -0.10 H new ATOM 0 HB3 LYS A 10 5.331 6.648 6.231 1.00 -0.10 H new ATOM 0 HG2 LYS A 10 7.006 9.102 6.813 1.00 -0.16 H new ATOM 0 HG3 LYS A 10 6.192 8.226 8.094 1.00 -0.16 H new ATOM 0 HD2 LYS A 10 8.330 7.095 6.249 1.00 -0.18 H new ATOM 0 HD3 LYS A 10 8.560 7.583 7.916 1.00 -0.18 H new ATOM 0 HE2 LYS A 10 6.920 5.832 8.646 1.00 -0.04 H new ATOM 0 HE3 LYS A 10 6.714 5.337 6.978 1.00 -0.04 H new ATOM 0 HZ1 LYS A 10 8.279 3.932 8.122 1.00 -0.14 H new ATOM 0 HZ2 LYS A 10 9.061 4.787 6.881 1.00 -0.14 H new ATOM 0 HZ3 LYS A 10 9.260 5.266 8.497 1.00 -0.14 H new ATOM 172 N GLU A 11 7.402 7.560 2.880 1.00 -0.46 N ATOM 173 CA GLU A 11 8.431 6.902 2.091 1.00 0.04 C ATOM 174 C GLU A 11 9.039 7.925 1.124 1.00 0.62 C ATOM 175 O GLU A 11 10.254 7.959 0.944 1.00 -0.50 O ATOM 176 CB GLU A 11 7.858 5.675 1.362 1.00 -0.18 C ATOM 177 CG GLU A 11 8.954 4.650 1.037 1.00 -0.40 C ATOM 178 CD GLU A 11 9.522 3.991 2.299 1.00 0.71 C ATOM 179 OE1 GLU A 11 8.793 3.167 2.889 1.00 -0.72 O ATOM 180 OE2 GLU A 11 10.670 4.332 2.664 1.00 -0.72 O ATOM 0 H GLU A 11 7.125 8.459 2.486 1.00 -0.46 H new ATOM 0 HA GLU A 11 9.222 6.529 2.741 1.00 0.04 H new ATOM 0 HB2 GLU A 11 7.093 5.207 1.982 1.00 -0.18 H new ATOM 0 HB3 GLU A 11 7.371 5.993 0.440 1.00 -0.18 H new ATOM 0 HG2 GLU A 11 8.547 3.882 0.379 1.00 -0.40 H new ATOM 0 HG3 GLU A 11 9.760 5.142 0.492 1.00 -0.40 H new ATOM 187 N GLN A 12 8.180 8.783 0.548 1.00 -0.46 N ATOM 188 CA GLN A 12 8.537 9.965 -0.227 1.00 0.04 C ATOM 189 C GLN A 12 9.165 9.582 -1.567 1.00 0.62 C ATOM 190 O GLN A 12 10.341 9.839 -1.810 1.00 -0.50 O ATOM 191 CB GLN A 12 9.397 10.928 0.612 1.00 -0.10 C ATOM 192 CG GLN A 12 9.494 12.317 -0.035 1.00 -0.10 C ATOM 193 CD GLN A 12 10.336 13.262 0.818 1.00 0.68 C ATOM 194 OE1 GLN A 12 11.539 13.393 0.601 1.00 -0.47 O ATOM 195 NE2 GLN A 12 9.709 13.927 1.790 1.00 -0.87 N ATOM 0 H GLN A 12 7.170 8.657 0.619 1.00 -0.46 H new ATOM 0 HA GLN A 12 7.628 10.512 -0.478 1.00 0.04 H new ATOM 0 HB2 GLN A 12 8.969 11.021 1.610 1.00 -0.10 H new ATOM 0 HB3 GLN A 12 10.397 10.512 0.731 1.00 -0.10 H new ATOM 0 HG2 GLN A 12 9.934 12.229 -1.028 1.00 -0.10 H new ATOM 0 HG3 GLN A 12 8.494 12.732 -0.165 1.00 -0.10 H new ATOM 0 HE21 GLN A 12 8.709 13.791 1.938 1.00 -0.87 H new ATOM 0 HE22 GLN A 12 10.230 14.572 2.385 1.00 -0.87 H new ATOM 204 N GLY A 13 8.352 8.998 -2.455 1.00 -0.46 N ATOM 205 CA GLY A 13 8.749 8.679 -3.819 1.00 0.04 C ATOM 206 C GLY A 13 8.903 9.938 -4.676 1.00 0.62 C ATOM 207 O GLY A 13 8.772 11.059 -4.184 1.00 -0.50 O ATOM 0 H GLY A 13 7.391 8.733 -2.238 1.00 -0.46 H new ATOM 0 HA2 GLY A 13 9.692 8.132 -3.805 1.00 0.04 H new ATOM 0 HA3 GLY A 13 8.006 8.021 -4.270 1.00 0.04 H new ATOM 211 N LYS A 14 9.181 9.738 -5.971 1.00 -0.46 N ATOM 212 CA LYS A 14 9.441 10.798 -6.940 1.00 0.04 C ATOM 213 C LYS A 14 10.709 11.559 -6.529 1.00 0.62 C ATOM 214 O LYS A 14 10.674 12.753 -6.242 1.00 -0.50 O ATOM 215 CB LYS A 14 8.194 11.688 -7.123 1.00 -0.10 C ATOM 216 CG LYS A 14 8.061 12.290 -8.532 1.00 -0.16 C ATOM 217 CD LYS A 14 9.202 13.247 -8.909 1.00 -0.18 C ATOM 218 CE LYS A 14 9.005 13.854 -10.305 1.00 -0.04 C ATOM 219 NZ LYS A 14 7.846 14.763 -10.365 1.00 -0.14 N ATOM 0 H LYS A 14 9.231 8.805 -6.380 1.00 -0.46 H new ATOM 0 HA LYS A 14 9.635 10.378 -7.927 1.00 0.04 H new ATOM 0 HB2 LYS A 14 7.304 11.099 -6.905 1.00 -0.10 H new ATOM 0 HB3 LYS A 14 8.227 12.498 -6.394 1.00 -0.10 H new ATOM 0 HG2 LYS A 14 8.023 11.480 -9.261 1.00 -0.16 H new ATOM 0 HG3 LYS A 14 7.114 12.825 -8.600 1.00 -0.16 H new ATOM 0 HD2 LYS A 14 9.263 14.047 -8.171 1.00 -0.18 H new ATOM 0 HD3 LYS A 14 10.150 12.711 -8.877 1.00 -0.18 H new ATOM 0 HE2 LYS A 14 9.905 14.398 -10.592 1.00 -0.04 H new ATOM 0 HE3 LYS A 14 8.872 13.052 -11.031 1.00 -0.04 H new ATOM 0 HZ1 LYS A 14 7.834 15.250 -11.284 1.00 -0.14 H new ATOM 0 HZ2 LYS A 14 6.969 14.215 -10.252 1.00 -0.14 H new ATOM 0 HZ3 LYS A 14 7.916 15.466 -9.602 1.00 -0.14 H new ATOM 233 N GLY A 15 11.832 10.833 -6.499 1.00 -0.46 N ATOM 234 CA GLY A 15 13.132 11.329 -6.079 1.00 0.04 C ATOM 235 C GLY A 15 13.803 10.250 -5.239 1.00 0.62 C ATOM 236 O GLY A 15 14.582 9.454 -5.759 1.00 -0.50 O ATOM 0 H GLY A 15 11.853 9.852 -6.777 1.00 -0.46 H new ATOM 0 HA2 GLY A 15 13.745 11.571 -6.947 1.00 0.04 H new ATOM 0 HA3 GLY A 15 13.021 12.246 -5.501 1.00 0.04 H new ATOM 240 N ALA A 16 13.466 10.206 -3.945 1.00 -0.46 N ATOM 241 CA ALA A 16 13.927 9.171 -3.034 1.00 0.04 C ATOM 242 C ALA A 16 13.050 7.930 -3.218 1.00 0.62 C ATOM 243 O ALA A 16 12.110 7.713 -2.459 1.00 -0.50 O ATOM 244 CB ALA A 16 13.905 9.709 -1.599 1.00 -0.10 C ATOM 0 H ALA A 16 12.860 10.898 -3.504 1.00 -0.46 H new ATOM 0 HA ALA A 16 14.956 8.884 -3.250 1.00 0.04 H new ATOM 0 HB1 ALA A 16 14.250 8.934 -0.915 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 14.561 10.577 -1.526 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 12.888 9.999 -1.335 1.00 -0.10 H new ATOM 250 N SER A 17 13.357 7.126 -4.247 1.00 -0.46 N ATOM 251 CA SER A 17 12.604 5.933 -4.624 1.00 0.04 C ATOM 252 C SER A 17 12.352 5.010 -3.428 1.00 0.62 C ATOM 253 O SER A 17 11.222 4.567 -3.231 1.00 -0.50 O ATOM 254 CB SER A 17 13.338 5.189 -5.742 1.00 0.02 C ATOM 255 OG SER A 17 13.587 6.058 -6.826 1.00 -0.55 O ATOM 0 H SER A 17 14.159 7.298 -4.853 1.00 -0.46 H new ATOM 0 HA SER A 17 11.627 6.253 -4.987 1.00 0.04 H new ATOM 0 HB2 SER A 17 14.279 4.788 -5.365 1.00 0.02 H new ATOM 0 HB3 SER A 17 12.741 4.341 -6.077 1.00 0.02 H new ATOM 0 HG SER A 17 14.058 5.571 -7.534 1.00 -0.55 H new ATOM 261 N ARG A 18 13.395 4.768 -2.618 1.00 -0.46 N ATOM 262 CA ARG A 18 13.285 4.195 -1.280 1.00 0.04 C ATOM 263 C ARG A 18 12.717 2.768 -1.284 1.00 0.62 C ATOM 264 O ARG A 18 12.577 2.140 -2.334 1.00 -0.50 O ATOM 265 CB ARG A 18 12.492 5.171 -0.384 1.00 -0.08 C ATOM 266 CG ARG A 18 13.369 6.342 0.086 1.00 -0.10 C ATOM 267 CD ARG A 18 14.018 6.038 1.441 1.00 -0.23 C ATOM 268 NE ARG A 18 12.997 5.947 2.496 1.00 -0.32 N ATOM 269 CZ ARG A 18 12.495 6.969 3.208 1.00 0.76 C ATOM 270 NH1 ARG A 18 12.977 8.213 3.085 1.00 -0.62 N ATOM 271 NH2 ARG A 18 11.483 6.727 4.050 1.00 -0.62 N ATOM 0 H ARG A 18 14.357 4.972 -2.888 1.00 -0.46 H new ATOM 0 HA ARG A 18 14.284 4.077 -0.861 1.00 0.04 H new ATOM 0 HB2 ARG A 18 11.633 5.556 -0.934 1.00 -0.08 H new ATOM 0 HB3 ARG A 18 12.102 4.636 0.482 1.00 -0.08 H new ATOM 0 HG2 ARG A 18 14.143 6.540 -0.655 1.00 -0.10 H new ATOM 0 HG3 ARG A 18 12.764 7.245 0.164 1.00 -0.10 H new ATOM 0 HD2 ARG A 18 14.573 5.101 1.383 1.00 -0.23 H new ATOM 0 HD3 ARG A 18 14.737 6.819 1.689 1.00 -0.23 H new ATOM 0 HE ARG A 18 12.635 5.017 2.707 1.00 -0.32 H new ATOM 0 HH11 ARG A 18 13.743 8.401 2.439 1.00 -0.62 H new ATOM 0 HH12 ARG A 18 12.578 8.972 3.638 1.00 -0.62 H new ATOM 0 HH21 ARG A 18 11.110 5.782 4.140 1.00 -0.62 H new ATOM 0 HH22 ARG A 18 11.085 7.487 4.601 1.00 -0.62 H new ATOM 285 N ARG A 19 12.426 2.250 -0.083 1.00 -0.46 N ATOM 286 CA ARG A 19 11.796 0.961 0.151 1.00 0.04 C ATOM 287 C ARG A 19 10.347 1.013 -0.332 1.00 0.62 C ATOM 288 O ARG A 19 9.433 1.222 0.460 1.00 -0.50 O ATOM 289 CB ARG A 19 11.870 0.635 1.650 1.00 -0.08 C ATOM 290 CG ARG A 19 13.307 0.333 2.090 1.00 -0.10 C ATOM 291 CD ARG A 19 13.352 0.080 3.599 1.00 -0.23 C ATOM 292 NE ARG A 19 14.709 -0.273 4.036 1.00 -0.32 N ATOM 293 CZ ARG A 19 15.105 -0.371 5.315 1.00 0.76 C ATOM 294 NH1 ARG A 19 14.249 -0.130 6.318 1.00 -0.62 N ATOM 295 NH2 ARG A 19 16.371 -0.713 5.592 1.00 -0.62 N ATOM 0 H ARG A 19 12.636 2.746 0.783 1.00 -0.46 H new ATOM 0 HA ARG A 19 12.313 0.176 -0.402 1.00 0.04 H new ATOM 0 HB2 ARG A 19 11.481 1.475 2.226 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 11.234 -0.223 1.869 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 13.684 -0.539 1.556 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 13.958 1.169 1.834 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 13.016 0.970 4.130 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 12.663 -0.724 3.857 1.00 -0.23 H new ATOM 0 HE ARG A 19 15.404 -0.458 3.312 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 13.284 0.131 6.114 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 14.562 -0.208 7.286 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 17.027 -0.897 4.833 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 16.678 -0.789 6.562 1.00 -0.62 H new ATOM 309 N LEU A 20 10.154 0.826 -1.641 1.00 -0.46 N ATOM 310 CA LEU A 20 8.858 0.867 -2.298 1.00 0.04 C ATOM 311 C LEU A 20 8.766 -0.307 -3.271 1.00 0.62 C ATOM 312 O LEU A 20 7.842 -1.111 -3.183 1.00 -0.50 O ATOM 313 CB LEU A 20 8.696 2.221 -3.004 1.00 -0.06 C ATOM 314 CG LEU A 20 7.273 2.456 -3.534 1.00 -0.01 C ATOM 315 CD1 LEU A 20 6.303 2.787 -2.389 1.00 -0.11 C ATOM 316 CD2 LEU A 20 7.299 3.615 -4.535 1.00 -0.11 C ATOM 0 H LEU A 20 10.922 0.637 -2.285 1.00 -0.46 H new ATOM 0 HA LEU A 20 8.046 0.772 -1.577 1.00 0.04 H new ATOM 0 HB2 LEU A 20 8.955 3.020 -2.309 1.00 -0.06 H new ATOM 0 HB3 LEU A 20 9.401 2.278 -3.834 1.00 -0.06 H new ATOM 0 HG LEU A 20 6.926 1.544 -4.020 1.00 -0.01 H new ATOM 0 HD11 LEU A 20 5.304 2.948 -2.794 1.00 -0.11 H new ATOM 0 HD12 LEU A 20 6.279 1.958 -1.682 1.00 -0.11 H new ATOM 0 HD13 LEU A 20 6.638 3.690 -1.878 1.00 -0.11 H new ATOM 0 HD21 LEU A 20 6.293 3.789 -4.917 1.00 -0.11 H new ATOM 0 HD22 LEU A 20 7.660 4.516 -4.039 1.00 -0.11 H new ATOM 0 HD23 LEU A 20 7.963 3.366 -5.363 1.00 -0.11 H new ATOM 328 N ARG A 21 9.744 -0.407 -4.181 1.00 -0.46 N ATOM 329 CA ARG A 21 9.900 -1.522 -5.104 1.00 0.04 C ATOM 330 C ARG A 21 10.711 -2.655 -4.468 1.00 0.62 C ATOM 331 O ARG A 21 10.409 -3.824 -4.697 1.00 -0.50 O ATOM 332 CB ARG A 21 10.478 -1.063 -6.456 1.00 -0.08 C ATOM 333 CG ARG A 21 11.915 -0.507 -6.478 1.00 -0.10 C ATOM 334 CD ARG A 21 12.022 0.977 -6.090 1.00 -0.23 C ATOM 335 NE ARG A 21 13.350 1.525 -6.410 1.00 -0.32 N ATOM 336 CZ ARG A 21 13.760 1.924 -7.627 1.00 0.76 C ATOM 337 NH1 ARG A 21 12.966 1.801 -8.700 1.00 -0.62 N ATOM 338 NH2 ARG A 21 14.983 2.454 -7.770 1.00 -0.62 N ATOM 0 H ARG A 21 10.463 0.307 -4.293 1.00 -0.46 H new ATOM 0 HA ARG A 21 8.910 -1.924 -5.317 1.00 0.04 H new ATOM 0 HB2 ARG A 21 10.437 -1.910 -7.141 1.00 -0.08 H new ATOM 0 HB3 ARG A 21 9.817 -0.295 -6.858 1.00 -0.08 H new ATOM 0 HG2 ARG A 21 12.530 -1.094 -5.797 1.00 -0.10 H new ATOM 0 HG3 ARG A 21 12.329 -0.641 -7.477 1.00 -0.10 H new ATOM 0 HD2 ARG A 21 11.256 1.547 -6.615 1.00 -0.23 H new ATOM 0 HD3 ARG A 21 11.828 1.090 -5.023 1.00 -0.23 H new ATOM 0 HE ARG A 21 14.017 1.609 -5.643 1.00 -0.32 H new ATOM 0 HH11 ARG A 21 12.034 1.399 -8.601 1.00 -0.62 H new ATOM 0 HH12 ARG A 21 13.294 2.109 -9.615 1.00 -0.62 H new ATOM 0 HH21 ARG A 21 15.594 2.552 -6.959 1.00 -0.62 H new ATOM 0 HH22 ARG A 21 15.302 2.759 -8.689 1.00 -0.62 H new ATOM 352 N ALA A 22 11.732 -2.314 -3.670 1.00 -0.46 N ATOM 353 CA ALA A 22 12.571 -3.285 -2.983 1.00 0.04 C ATOM 354 C ALA A 22 11.760 -4.007 -1.905 1.00 0.62 C ATOM 355 O ALA A 22 11.668 -5.232 -1.916 1.00 -0.50 O ATOM 356 CB ALA A 22 13.797 -2.586 -2.391 1.00 -0.10 C ATOM 0 H ALA A 22 11.995 -1.346 -3.487 1.00 -0.46 H new ATOM 0 HA ALA A 22 12.921 -4.033 -3.694 1.00 0.04 H new ATOM 0 HB1 ALA A 22 14.421 -3.318 -1.878 1.00 -0.10 H new ATOM 0 HB2 ALA A 22 14.370 -2.117 -3.191 1.00 -0.10 H new ATOM 0 HB3 ALA A 22 13.474 -1.824 -1.682 1.00 -0.10 H new ATOM 362 N ALA A 23 11.155 -3.238 -0.992 1.00 -0.46 N ATOM 363 CA ALA A 23 10.204 -3.762 -0.022 1.00 0.04 C ATOM 364 C ALA A 23 8.881 -4.081 -0.719 1.00 0.62 C ATOM 365 O ALA A 23 8.590 -3.534 -1.782 1.00 -0.50 O ATOM 366 CB ALA A 23 9.997 -2.740 1.098 1.00 -0.10 C ATOM 0 H ALA A 23 11.316 -2.234 -0.910 1.00 -0.46 H new ATOM 0 HA ALA A 23 10.594 -4.681 0.416 1.00 0.04 H new ATOM 0 HB1 ALA A 23 9.285 -3.134 1.823 1.00 -0.10 H new ATOM 0 HB2 ALA A 23 10.948 -2.545 1.593 1.00 -0.10 H new ATOM 0 HB3 ALA A 23 9.610 -1.812 0.677 1.00 -0.10 H new ATOM 372 N ASN A 24 8.084 -4.971 -0.117 1.00 -0.46 N ATOM 373 CA ASN A 24 6.807 -5.399 -0.670 1.00 0.04 C ATOM 374 C ASN A 24 5.742 -4.352 -0.324 1.00 0.62 C ATOM 375 O ASN A 24 4.942 -4.537 0.591 1.00 -0.50 O ATOM 376 CB ASN A 24 6.484 -6.808 -0.146 1.00 -0.09 C ATOM 377 CG ASN A 24 5.410 -7.533 -0.960 1.00 0.68 C ATOM 378 OD1 ASN A 24 5.056 -7.118 -2.062 1.00 -0.47 O ATOM 379 ND2 ASN A 24 4.904 -8.648 -0.428 1.00 -0.87 N ATOM 0 H ASN A 24 8.314 -5.414 0.773 1.00 -0.46 H new ATOM 0 HA ASN A 24 6.839 -5.469 -1.757 1.00 0.04 H new ATOM 0 HB2 ASN A 24 7.396 -7.406 -0.149 1.00 -0.09 H new ATOM 0 HB3 ASN A 24 6.155 -6.734 0.890 1.00 -0.09 H new ATOM 0 HD21 ASN A 24 4.202 -9.183 -0.938 1.00 -0.87 H new ATOM 0 HD22 ASN A 24 5.220 -8.965 0.489 1.00 -0.87 H new ATOM 386 N LYS A 25 5.779 -3.223 -1.042 1.00 -0.46 N ATOM 387 CA LYS A 25 4.960 -2.043 -0.802 1.00 0.04 C ATOM 388 C LYS A 25 4.476 -1.464 -2.132 1.00 0.62 C ATOM 389 O LYS A 25 5.003 -1.804 -3.191 1.00 -0.50 O ATOM 390 CB LYS A 25 5.798 -0.995 -0.058 1.00 -0.10 C ATOM 391 CG LYS A 25 6.001 -1.350 1.418 1.00 -0.16 C ATOM 392 CD LYS A 25 6.803 -0.242 2.110 1.00 -0.18 C ATOM 393 CE LYS A 25 6.866 -0.415 3.632 1.00 -0.04 C ATOM 394 NZ LYS A 25 5.523 -0.448 4.238 1.00 -0.14 N ATOM 0 H LYS A 25 6.408 -3.109 -1.837 1.00 -0.46 H new ATOM 0 HA LYS A 25 4.093 -2.318 -0.201 1.00 0.04 H new ATOM 0 HB2 LYS A 25 6.770 -0.900 -0.543 1.00 -0.10 H new ATOM 0 HB3 LYS A 25 5.309 -0.024 -0.131 1.00 -0.10 H new ATOM 0 HG2 LYS A 25 5.035 -1.474 1.908 1.00 -0.16 H new ATOM 0 HG3 LYS A 25 6.527 -2.301 1.504 1.00 -0.16 H new ATOM 0 HD2 LYS A 25 7.816 -0.228 1.708 1.00 -0.18 H new ATOM 0 HD3 LYS A 25 6.355 0.724 1.877 1.00 -0.18 H new ATOM 0 HE2 LYS A 25 7.395 -1.338 3.871 1.00 -0.04 H new ATOM 0 HE3 LYS A 25 7.440 0.403 4.067 1.00 -0.04 H new ATOM 0 HZ1 LYS A 25 5.558 -0.018 5.184 1.00 -0.14 H new ATOM 0 HZ2 LYS A 25 4.859 0.085 3.640 1.00 -0.14 H new ATOM 0 HZ3 LYS A 25 5.202 -1.434 4.318 1.00 -0.14 H new ATOM 408 N PHE A 26 3.475 -0.576 -2.070 1.00 -0.46 N ATOM 409 CA PHE A 26 2.966 0.157 -3.221 1.00 0.04 C ATOM 410 C PHE A 26 2.143 1.352 -2.723 1.00 0.62 C ATOM 411 O PHE A 26 1.537 1.269 -1.655 1.00 -0.50 O ATOM 412 CB PHE A 26 2.129 -0.763 -4.129 1.00 -0.10 C ATOM 413 CG PHE A 26 0.789 -1.175 -3.554 1.00 -0.10 C ATOM 414 CD1 PHE A 26 0.731 -2.105 -2.501 1.00 -0.15 C ATOM 415 CD2 PHE A 26 -0.398 -0.585 -4.030 1.00 -0.15 C ATOM 416 CE1 PHE A 26 -0.503 -2.433 -1.916 1.00 -0.15 C ATOM 417 CE2 PHE A 26 -1.632 -0.904 -3.439 1.00 -0.15 C ATOM 418 CZ PHE A 26 -1.684 -1.832 -2.386 1.00 -0.15 C ATOM 0 H PHE A 26 2.993 -0.348 -1.201 1.00 -0.46 H new ATOM 0 HA PHE A 26 3.799 0.524 -3.820 1.00 0.04 H new ATOM 0 HB2 PHE A 26 1.960 -0.256 -5.079 1.00 -0.10 H new ATOM 0 HB3 PHE A 26 2.708 -1.661 -4.345 1.00 -0.10 H new ATOM 0 HD1 PHE A 26 1.638 -2.568 -2.141 1.00 -0.15 H new ATOM 0 HD2 PHE A 26 -0.359 0.115 -4.852 1.00 -0.15 H new ATOM 0 HE1 PHE A 26 -0.545 -3.146 -1.106 1.00 -0.15 H new ATOM 0 HE2 PHE A 26 -2.539 -0.437 -3.794 1.00 -0.15 H new ATOM 0 HZ PHE A 26 -2.633 -2.084 -1.936 1.00 -0.15 H new ATOM 428 N PRO A 27 2.099 2.467 -3.472 1.00 -0.23 N ATOM 429 CA PRO A 27 1.300 3.620 -3.101 1.00 0.04 C ATOM 430 C PRO A 27 -0.177 3.336 -3.386 1.00 0.53 C ATOM 431 O PRO A 27 -0.505 2.677 -4.371 1.00 -0.50 O ATOM 432 CB PRO A 27 1.828 4.763 -3.971 1.00 -0.12 C ATOM 433 CG PRO A 27 2.276 4.047 -5.245 1.00 -0.12 C ATOM 434 CD PRO A 27 2.791 2.702 -4.731 1.00 -0.01 C ATOM 0 HA PRO A 27 1.373 3.865 -2.041 1.00 0.04 H new ATOM 0 HB2 PRO A 27 1.056 5.505 -4.175 1.00 -0.12 H new ATOM 0 HB3 PRO A 27 2.654 5.287 -3.491 1.00 -0.12 H new ATOM 0 HG2 PRO A 27 1.451 3.920 -5.946 1.00 -0.12 H new ATOM 0 HG3 PRO A 27 3.055 4.603 -5.766 1.00 -0.12 H new ATOM 0 HD2 PRO A 27 2.584 1.905 -5.445 1.00 -0.01 H new ATOM 0 HD3 PRO A 27 3.871 2.727 -4.585 1.00 -0.01 H new ATOM 442 N ALA A 28 -1.063 3.851 -2.528 1.00 -0.46 N ATOM 443 CA ALA A 28 -2.507 3.827 -2.726 1.00 0.04 C ATOM 444 C ALA A 28 -3.047 5.245 -2.550 1.00 0.62 C ATOM 445 O ALA A 28 -2.313 6.134 -2.120 1.00 -0.50 O ATOM 446 CB ALA A 28 -3.145 2.837 -1.753 1.00 -0.10 C ATOM 0 H ALA A 28 -0.785 4.305 -1.658 1.00 -0.46 H new ATOM 0 HA ALA A 28 -2.756 3.491 -3.733 1.00 0.04 H new ATOM 0 HB1 ALA A 28 -4.224 2.822 -1.904 1.00 -0.10 H new ATOM 0 HB2 ALA A 28 -2.740 1.841 -1.930 1.00 -0.10 H new ATOM 0 HB3 ALA A 28 -2.926 3.141 -0.729 1.00 -0.10 H new ATOM 452 N ILE A 29 -4.310 5.467 -2.933 1.00 -0.46 N ATOM 453 CA ILE A 29 -4.891 6.801 -3.041 1.00 0.04 C ATOM 454 C ILE A 29 -6.269 6.821 -2.375 1.00 0.62 C ATOM 455 O ILE A 29 -6.996 5.831 -2.435 1.00 -0.50 O ATOM 456 CB ILE A 29 -4.937 7.214 -4.528 1.00 -0.01 C ATOM 457 CG1 ILE A 29 -3.503 7.366 -5.077 1.00 -0.05 C ATOM 458 CG2 ILE A 29 -5.707 8.521 -4.736 1.00 -0.09 C ATOM 459 CD1 ILE A 29 -3.445 7.752 -6.557 1.00 -0.09 C ATOM 0 H ILE A 29 -4.958 4.718 -3.177 1.00 -0.46 H new ATOM 0 HA ILE A 29 -4.277 7.533 -2.517 1.00 0.04 H new ATOM 0 HB ILE A 29 -5.461 6.427 -5.070 1.00 -0.01 H new ATOM 0 HG12 ILE A 29 -2.979 8.123 -4.493 1.00 -0.05 H new ATOM 0 HG13 ILE A 29 -2.968 6.427 -4.935 1.00 -0.05 H new ATOM 0 HG21 ILE A 29 -5.714 8.774 -5.796 1.00 -0.09 H new ATOM 0 HG22 ILE A 29 -6.732 8.399 -4.385 1.00 -0.09 H new ATOM 0 HG23 ILE A 29 -5.224 9.321 -4.175 1.00 -0.09 H new ATOM 0 HD11 ILE A 29 -2.404 7.840 -6.870 1.00 -0.09 H new ATOM 0 HD12 ILE A 29 -3.939 6.985 -7.153 1.00 -0.09 H new ATOM 0 HD13 ILE A 29 -3.950 8.707 -6.704 1.00 -0.09 H new ATOM 471 N ILE A 30 -6.616 7.956 -1.750 1.00 -0.46 N ATOM 472 CA ILE A 30 -7.926 8.241 -1.181 1.00 0.04 C ATOM 473 C ILE A 30 -8.563 9.387 -1.974 1.00 0.62 C ATOM 474 O ILE A 30 -8.247 10.556 -1.754 1.00 -0.50 O ATOM 475 CB ILE A 30 -7.820 8.565 0.325 1.00 -0.01 C ATOM 476 CG1 ILE A 30 -7.215 7.373 1.091 1.00 -0.05 C ATOM 477 CG2 ILE A 30 -9.205 8.923 0.893 1.00 -0.09 C ATOM 478 CD1 ILE A 30 -7.179 7.584 2.608 1.00 -0.09 C ATOM 0 H ILE A 30 -5.959 8.727 -1.626 1.00 -0.46 H new ATOM 0 HA ILE A 30 -8.564 7.361 -1.259 1.00 0.04 H new ATOM 0 HB ILE A 30 -7.161 9.424 0.450 1.00 -0.01 H new ATOM 0 HG12 ILE A 30 -7.793 6.476 0.869 1.00 -0.05 H new ATOM 0 HG13 ILE A 30 -6.201 7.196 0.732 1.00 -0.05 H new ATOM 0 HG21 ILE A 30 -9.115 9.149 1.956 1.00 -0.09 H new ATOM 0 HG22 ILE A 30 -9.599 9.794 0.369 1.00 -0.09 H new ATOM 0 HG23 ILE A 30 -9.883 8.080 0.757 1.00 -0.09 H new ATOM 0 HD11 ILE A 30 -6.742 6.708 3.087 1.00 -0.09 H new ATOM 0 HD12 ILE A 30 -6.577 8.463 2.839 1.00 -0.09 H new ATOM 0 HD13 ILE A 30 -8.193 7.732 2.979 1.00 -0.09 H new ATOM 490 N TYR A 31 -9.503 9.032 -2.858 1.00 -0.46 N ATOM 491 CA TYR A 31 -10.537 9.911 -3.384 1.00 0.04 C ATOM 492 C TYR A 31 -11.649 10.048 -2.334 1.00 0.62 C ATOM 493 O TYR A 31 -11.638 9.363 -1.311 1.00 -0.50 O ATOM 494 CB TYR A 31 -11.113 9.309 -4.676 1.00 -0.10 C ATOM 495 CG TYR A 31 -10.153 9.210 -5.847 1.00 -0.03 C ATOM 496 CD1 TYR A 31 -9.199 8.175 -5.899 1.00 0.00 C ATOM 497 CD2 TYR A 31 -10.269 10.105 -6.926 1.00 0.00 C ATOM 498 CE1 TYR A 31 -8.325 8.078 -6.996 1.00 -0.26 C ATOM 499 CE2 TYR A 31 -9.411 9.991 -8.033 1.00 -0.26 C ATOM 500 CZ TYR A 31 -8.429 8.987 -8.062 1.00 0.46 C ATOM 501 OH TYR A 31 -7.580 8.898 -9.126 1.00 -0.53 O ATOM 0 H TYR A 31 -9.561 8.087 -3.237 1.00 -0.46 H new ATOM 0 HA TYR A 31 -10.117 10.892 -3.606 1.00 0.04 H new ATOM 0 HB2 TYR A 31 -11.487 8.310 -4.453 1.00 -0.10 H new ATOM 0 HB3 TYR A 31 -11.969 9.909 -4.983 1.00 -0.10 H new ATOM 0 HD1 TYR A 31 -9.139 7.456 -5.096 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.019 10.882 -6.904 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.573 7.304 -7.019 1.00 -0.26 H new ATOM 0 HE2 TYR A 31 -9.507 10.676 -8.862 1.00 -0.26 H new ATOM 0 HH TYR A 31 -7.791 9.603 -9.773 1.00 -0.53 H new ATOM 511 N GLY A 32 -12.633 10.913 -2.596 1.00 -0.46 N ATOM 512 CA GLY A 32 -13.790 11.063 -1.730 1.00 0.04 C ATOM 513 C GLY A 32 -14.864 11.888 -2.428 1.00 0.62 C ATOM 514 O GLY A 32 -15.466 11.422 -3.394 1.00 -0.50 O ATOM 0 H GLY A 32 -12.644 11.524 -3.413 1.00 -0.46 H new ATOM 0 HA2 GLY A 32 -14.187 10.082 -1.468 1.00 0.04 H new ATOM 0 HA3 GLY A 32 -13.496 11.547 -0.799 1.00 0.04 H new ATOM 518 N GLY A 33 -15.094 13.112 -1.941 1.00 -0.46 N ATOM 519 CA GLY A 33 -16.037 14.049 -2.535 1.00 0.04 C ATOM 520 C GLY A 33 -15.393 14.786 -3.707 1.00 0.62 C ATOM 521 O GLY A 33 -14.519 14.244 -4.385 1.00 -0.50 O ATOM 0 H GLY A 33 -14.622 13.478 -1.114 1.00 -0.46 H new ATOM 0 HA2 GLY A 33 -16.923 13.514 -2.877 1.00 0.04 H new ATOM 0 HA3 GLY A 33 -16.367 14.767 -1.784 1.00 0.04 H new ATOM 525 N LYS A 34 -15.811 16.039 -3.929 1.00 -0.46 N ATOM 526 CA LYS A 34 -15.232 16.915 -4.939 1.00 0.04 C ATOM 527 C LYS A 34 -13.931 17.505 -4.381 1.00 0.62 C ATOM 528 O LYS A 34 -13.848 18.699 -4.099 1.00 -0.50 O ATOM 529 CB LYS A 34 -16.271 17.981 -5.328 1.00 -0.10 C ATOM 530 CG LYS A 34 -15.912 18.752 -6.607 1.00 -0.16 C ATOM 531 CD LYS A 34 -16.160 17.915 -7.871 1.00 -0.18 C ATOM 532 CE LYS A 34 -15.894 18.745 -9.130 1.00 -0.04 C ATOM 533 NZ LYS A 34 -16.169 17.970 -10.353 1.00 -0.14 N ATOM 0 H LYS A 34 -16.570 16.472 -3.403 1.00 -0.46 H new ATOM 0 HA LYS A 34 -14.978 16.375 -5.851 1.00 0.04 H new ATOM 0 HB2 LYS A 34 -17.240 17.500 -5.464 1.00 -0.10 H new ATOM 0 HB3 LYS A 34 -16.379 18.688 -4.506 1.00 -0.10 H new ATOM 0 HG2 LYS A 34 -16.502 19.667 -6.656 1.00 -0.16 H new ATOM 0 HG3 LYS A 34 -14.864 19.050 -6.569 1.00 -0.16 H new ATOM 0 HD2 LYS A 34 -15.514 17.037 -7.865 1.00 -0.18 H new ATOM 0 HD3 LYS A 34 -17.188 17.554 -7.878 1.00 -0.18 H new ATOM 0 HE2 LYS A 34 -16.517 19.639 -9.116 1.00 -0.04 H new ATOM 0 HE3 LYS A 34 -14.857 19.079 -9.135 1.00 -0.04 H new ATOM 0 HZ1 LYS A 34 -15.979 18.560 -11.188 1.00 -0.14 H new ATOM 0 HZ2 LYS A 34 -15.557 17.130 -10.377 1.00 -0.14 H new ATOM 0 HZ3 LYS A 34 -17.166 17.672 -10.359 1.00 -0.14 H new ATOM 547 N GLU A 35 -12.929 16.638 -4.191 1.00 -0.46 N ATOM 548 CA GLU A 35 -11.674 16.926 -3.513 1.00 0.04 C ATOM 549 C GLU A 35 -10.534 16.282 -4.304 1.00 0.62 C ATOM 550 O GLU A 35 -10.699 15.196 -4.862 1.00 -0.50 O ATOM 551 CB GLU A 35 -11.751 16.358 -2.086 1.00 -0.18 C ATOM 552 CG GLU A 35 -10.520 16.704 -1.233 1.00 -0.40 C ATOM 553 CD GLU A 35 -10.600 16.069 0.153 1.00 0.71 C ATOM 554 OE1 GLU A 35 -11.619 16.301 0.838 1.00 -0.72 O ATOM 555 OE2 GLU A 35 -9.656 15.331 0.512 1.00 -0.72 O ATOM 0 H GLU A 35 -12.980 15.675 -4.523 1.00 -0.46 H new ATOM 0 HA GLU A 35 -11.492 17.999 -3.453 1.00 0.04 H new ATOM 0 HB2 GLU A 35 -12.645 16.743 -1.596 1.00 -0.18 H new ATOM 0 HB3 GLU A 35 -11.857 15.274 -2.138 1.00 -0.18 H new ATOM 0 HG2 GLU A 35 -9.618 16.361 -1.739 1.00 -0.40 H new ATOM 0 HG3 GLU A 35 -10.438 17.786 -1.134 1.00 -0.40 H new ATOM 562 N ALA A 36 -9.373 16.947 -4.345 1.00 -0.46 N ATOM 563 CA ALA A 36 -8.172 16.411 -4.968 1.00 0.04 C ATOM 564 C ALA A 36 -7.715 15.167 -4.196 1.00 0.62 C ATOM 565 O ALA A 36 -7.569 15.240 -2.977 1.00 -0.50 O ATOM 566 CB ALA A 36 -7.075 17.478 -4.984 1.00 -0.10 C ATOM 0 H ALA A 36 -9.247 17.876 -3.943 1.00 -0.46 H new ATOM 0 HA ALA A 36 -8.384 16.126 -5.999 1.00 0.04 H new ATOM 0 HB1 ALA A 36 -6.178 17.071 -5.451 1.00 -0.10 H new ATOM 0 HB2 ALA A 36 -7.418 18.344 -5.550 1.00 -0.10 H new ATOM 0 HB3 ALA A 36 -6.846 17.780 -3.962 1.00 -0.10 H new ATOM 572 N PRO A 37 -7.511 14.021 -4.864 1.00 -0.23 N ATOM 573 CA PRO A 37 -7.239 12.759 -4.197 1.00 0.04 C ATOM 574 C PRO A 37 -5.823 12.747 -3.616 1.00 0.53 C ATOM 575 O PRO A 37 -4.866 13.084 -4.312 1.00 -0.50 O ATOM 576 CB PRO A 37 -7.428 11.698 -5.279 1.00 -0.12 C ATOM 577 CG PRO A 37 -7.057 12.430 -6.567 1.00 -0.12 C ATOM 578 CD PRO A 37 -7.590 13.836 -6.304 1.00 -0.01 C ATOM 0 HA PRO A 37 -7.900 12.580 -3.349 1.00 0.04 H new ATOM 0 HB2 PRO A 37 -6.786 10.834 -5.110 1.00 -0.12 H new ATOM 0 HB3 PRO A 37 -8.454 11.332 -5.307 1.00 -0.12 H new ATOM 0 HG2 PRO A 37 -5.981 12.428 -6.741 1.00 -0.12 H new ATOM 0 HG3 PRO A 37 -7.522 11.975 -7.442 1.00 -0.12 H new ATOM 0 HD2 PRO A 37 -6.996 14.585 -6.829 1.00 -0.01 H new ATOM 0 HD3 PRO A 37 -8.616 13.939 -6.657 1.00 -0.01 H new ATOM 586 N LEU A 38 -5.698 12.367 -2.337 1.00 -0.46 N ATOM 587 CA LEU A 38 -4.427 12.344 -1.617 1.00 0.04 C ATOM 588 C LEU A 38 -3.815 10.943 -1.636 1.00 0.62 C ATOM 589 O LEU A 38 -4.534 9.960 -1.800 1.00 -0.50 O ATOM 590 CB LEU A 38 -4.605 12.911 -0.197 1.00 -0.06 C ATOM 591 CG LEU A 38 -5.531 12.120 0.749 1.00 -0.01 C ATOM 592 CD1 LEU A 38 -4.810 10.958 1.447 1.00 -0.11 C ATOM 593 CD2 LEU A 38 -6.053 13.069 1.835 1.00 -0.11 C ATOM 0 H LEU A 38 -6.490 12.064 -1.770 1.00 -0.46 H new ATOM 0 HA LEU A 38 -3.714 12.993 -2.125 1.00 0.04 H new ATOM 0 HB2 LEU A 38 -3.622 12.981 0.268 1.00 -0.06 H new ATOM 0 HB3 LEU A 38 -4.991 13.927 -0.281 1.00 -0.06 H new ATOM 0 HG LEU A 38 -6.337 11.706 0.143 1.00 -0.01 H new ATOM 0 HD11 LEU A 38 -5.509 10.436 2.100 1.00 -0.11 H new ATOM 0 HD12 LEU A 38 -4.427 10.265 0.698 1.00 -0.11 H new ATOM 0 HD13 LEU A 38 -3.981 11.347 2.039 1.00 -0.11 H new ATOM 0 HD21 LEU A 38 -6.710 12.522 2.511 1.00 -0.11 H new ATOM 0 HD22 LEU A 38 -5.212 13.477 2.396 1.00 -0.11 H new ATOM 0 HD23 LEU A 38 -6.608 13.884 1.370 1.00 -0.11 H new ATOM 605 N ALA A 39 -2.488 10.859 -1.475 1.00 -0.46 N ATOM 606 CA ALA A 39 -1.738 9.609 -1.506 1.00 0.04 C ATOM 607 C ALA A 39 -1.472 9.095 -0.088 1.00 0.62 C ATOM 608 O ALA A 39 -1.362 9.882 0.851 1.00 -0.50 O ATOM 609 CB ALA A 39 -0.420 9.825 -2.252 1.00 -0.10 C ATOM 0 H ALA A 39 -1.900 11.677 -1.317 1.00 -0.46 H new ATOM 0 HA ALA A 39 -2.329 8.856 -2.028 1.00 0.04 H new ATOM 0 HB1 ALA A 39 0.142 8.891 -2.276 1.00 -0.10 H new ATOM 0 HB2 ALA A 39 -0.628 10.150 -3.272 1.00 -0.10 H new ATOM 0 HB3 ALA A 39 0.167 10.588 -1.741 1.00 -0.10 H new ATOM 615 N ILE A 40 -1.346 7.770 0.046 1.00 -0.46 N ATOM 616 CA ILE A 40 -0.987 7.074 1.275 1.00 0.04 C ATOM 617 C ILE A 40 -0.022 5.929 0.949 1.00 0.62 C ATOM 618 O ILE A 40 0.039 5.466 -0.192 1.00 -0.50 O ATOM 619 CB ILE A 40 -2.243 6.549 2.003 1.00 -0.01 C ATOM 620 CG1 ILE A 40 -3.105 5.668 1.082 1.00 -0.05 C ATOM 621 CG2 ILE A 40 -3.062 7.709 2.587 1.00 -0.09 C ATOM 622 CD1 ILE A 40 -4.190 4.903 1.841 1.00 -0.09 C ATOM 0 H ILE A 40 -1.499 7.132 -0.735 1.00 -0.46 H new ATOM 0 HA ILE A 40 -0.492 7.775 1.947 1.00 0.04 H new ATOM 0 HB ILE A 40 -1.908 5.922 2.829 1.00 -0.01 H new ATOM 0 HG12 ILE A 40 -3.572 6.293 0.321 1.00 -0.05 H new ATOM 0 HG13 ILE A 40 -2.463 4.958 0.561 1.00 -0.05 H new ATOM 0 HG21 ILE A 40 -3.942 7.314 3.095 1.00 -0.09 H new ATOM 0 HG22 ILE A 40 -2.451 8.264 3.299 1.00 -0.09 H new ATOM 0 HG23 ILE A 40 -3.376 8.374 1.782 1.00 -0.09 H new ATOM 0 HD11 ILE A 40 -4.767 4.299 1.141 1.00 -0.09 H new ATOM 0 HD12 ILE A 40 -3.726 4.254 2.584 1.00 -0.09 H new ATOM 0 HD13 ILE A 40 -4.852 5.610 2.340 1.00 -0.09 H new ATOM 634 N GLU A 41 0.713 5.463 1.967 1.00 -0.46 N ATOM 635 CA GLU A 41 1.537 4.263 1.885 1.00 0.04 C ATOM 636 C GLU A 41 0.635 3.057 2.158 1.00 0.62 C ATOM 637 O GLU A 41 -0.250 3.155 3.007 1.00 -0.50 O ATOM 638 CB GLU A 41 2.677 4.338 2.918 1.00 -0.18 C ATOM 639 CG GLU A 41 3.994 3.773 2.371 1.00 -0.40 C ATOM 640 CD GLU A 41 3.882 2.299 1.986 1.00 0.71 C ATOM 641 OE1 GLU A 41 3.942 1.464 2.916 1.00 -0.72 O ATOM 642 OE2 GLU A 41 3.726 2.034 0.775 1.00 -0.72 O ATOM 0 H GLU A 41 0.749 5.918 2.879 1.00 -0.46 H new ATOM 0 HA GLU A 41 1.989 4.172 0.897 1.00 0.04 H new ATOM 0 HB2 GLU A 41 2.826 5.375 3.218 1.00 -0.18 H new ATOM 0 HB3 GLU A 41 2.391 3.786 3.813 1.00 -0.18 H new ATOM 0 HG2 GLU A 41 4.299 4.351 1.499 1.00 -0.40 H new ATOM 0 HG3 GLU A 41 4.776 3.891 3.121 1.00 -0.40 H new ATOM 649 N LEU A 42 0.860 1.936 1.461 1.00 -0.46 N ATOM 650 CA LEU A 42 0.143 0.688 1.699 1.00 0.04 C ATOM 651 C LEU A 42 1.103 -0.496 1.551 1.00 0.62 C ATOM 652 O LEU A 42 1.795 -0.626 0.541 1.00 -0.50 O ATOM 653 CB LEU A 42 -1.080 0.577 0.770 1.00 -0.06 C ATOM 654 CG LEU A 42 -2.371 0.250 1.543 1.00 -0.01 C ATOM 655 CD1 LEU A 42 -2.801 1.417 2.441 1.00 -0.11 C ATOM 656 CD2 LEU A 42 -3.513 -0.044 0.566 1.00 -0.11 C ATOM 0 H LEU A 42 1.550 1.875 0.712 1.00 -0.46 H new ATOM 0 HA LEU A 42 -0.240 0.676 2.719 1.00 0.04 H new ATOM 0 HB2 LEU A 42 -1.210 1.515 0.230 1.00 -0.06 H new ATOM 0 HB3 LEU A 42 -0.899 -0.198 0.025 1.00 -0.06 H new ATOM 0 HG LEU A 42 -2.161 -0.622 2.162 1.00 -0.01 H new ATOM 0 HD11 LEU A 42 -3.715 1.151 2.971 1.00 -0.11 H new ATOM 0 HD12 LEU A 42 -2.012 1.631 3.163 1.00 -0.11 H new ATOM 0 HD13 LEU A 42 -2.981 2.300 1.828 1.00 -0.11 H new ATOM 0 HD21 LEU A 42 -4.420 -0.274 1.125 1.00 -0.11 H new ATOM 0 HD22 LEU A 42 -3.686 0.828 -0.064 1.00 -0.11 H new ATOM 0 HD23 LEU A 42 -3.247 -0.896 -0.059 1.00 -0.11 H new ATOM 668 N ASP A 43 1.145 -1.344 2.584 1.00 -0.46 N ATOM 669 CA ASP A 43 2.075 -2.455 2.704 1.00 0.04 C ATOM 670 C ASP A 43 1.425 -3.739 2.187 1.00 0.62 C ATOM 671 O ASP A 43 0.343 -4.108 2.643 1.00 -0.50 O ATOM 672 CB ASP A 43 2.495 -2.580 4.171 1.00 -0.40 C ATOM 673 CG ASP A 43 3.633 -3.577 4.331 1.00 0.71 C ATOM 674 OD1 ASP A 43 4.785 -3.158 4.082 1.00 -0.72 O ATOM 675 OD2 ASP A 43 3.328 -4.730 4.703 1.00 -0.72 O ATOM 0 H ASP A 43 0.511 -1.268 3.379 1.00 -0.46 H new ATOM 0 HA ASP A 43 2.964 -2.278 2.099 1.00 0.04 H new ATOM 0 HB2 ASP A 43 2.805 -1.606 4.548 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 1.642 -2.897 4.771 1.00 -0.40 H new ATOM 680 N HIS A 44 2.080 -4.406 1.228 1.00 -0.46 N ATOM 681 CA HIS A 44 1.551 -5.584 0.555 1.00 0.04 C ATOM 682 C HIS A 44 1.773 -6.833 1.410 1.00 0.62 C ATOM 683 O HIS A 44 2.573 -7.703 1.076 1.00 -0.50 O ATOM 684 CB HIS A 44 2.173 -5.701 -0.841 1.00 -0.10 C ATOM 685 CG HIS A 44 1.564 -6.784 -1.697 1.00 -0.03 C ATOM 686 ND1 HIS A 44 1.632 -8.139 -1.472 1.00 -0.15 N ATOM 687 CD2 HIS A 44 0.830 -6.594 -2.834 1.00 0.20 C ATOM 688 CE1 HIS A 44 0.940 -8.750 -2.448 1.00 0.24 C ATOM 689 NE2 HIS A 44 0.424 -7.849 -3.298 1.00 -0.50 N ATOM 0 H HIS A 44 3.006 -4.133 0.898 1.00 -0.46 H new ATOM 0 HA HIS A 44 0.473 -5.485 0.425 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.069 -4.745 -1.355 1.00 -0.10 H new ATOM 0 HB3 HIS A 44 3.241 -5.893 -0.737 1.00 -0.10 H new ATOM 0 HD1 HIS A 44 2.120 -8.598 -0.703 1.00 -0.15 H new ATOM 0 HD2 HIS A 44 0.604 -5.643 -3.293 1.00 0.20 H new ATOM 0 HE1 HIS A 44 0.816 -9.819 -2.536 1.00 0.24 H new ATOM 697 N ASP A 45 1.014 -6.931 2.503 1.00 -0.46 N ATOM 698 CA ASP A 45 0.888 -8.123 3.328 1.00 0.04 C ATOM 699 C ASP A 45 -0.489 -8.070 3.977 1.00 0.62 C ATOM 700 O ASP A 45 -1.315 -8.956 3.767 1.00 -0.50 O ATOM 701 CB ASP A 45 2.000 -8.192 4.386 1.00 -0.40 C ATOM 702 CG ASP A 45 3.331 -8.668 3.800 1.00 0.71 C ATOM 703 OD1 ASP A 45 3.400 -9.870 3.463 1.00 -0.72 O ATOM 704 OD2 ASP A 45 4.252 -7.831 3.704 1.00 -0.72 O ATOM 0 H ASP A 45 0.452 -6.152 2.846 1.00 -0.46 H new ATOM 0 HA ASP A 45 0.992 -9.021 2.720 1.00 0.04 H new ATOM 0 HB2 ASP A 45 2.134 -7.207 4.833 1.00 -0.40 H new ATOM 0 HB3 ASP A 45 1.696 -8.867 5.186 1.00 -0.40 H new ATOM 709 N LYS A 46 -0.743 -6.996 4.736 1.00 -0.46 N ATOM 710 CA LYS A 46 -2.036 -6.736 5.342 1.00 0.04 C ATOM 711 C LYS A 46 -3.109 -6.623 4.259 1.00 0.62 C ATOM 712 O LYS A 46 -3.998 -7.468 4.205 1.00 -0.50 O ATOM 713 CB LYS A 46 -1.974 -5.469 6.206 1.00 -0.10 C ATOM 714 CG LYS A 46 -1.135 -5.708 7.467 1.00 -0.16 C ATOM 715 CD LYS A 46 -1.086 -4.431 8.314 1.00 -0.18 C ATOM 716 CE LYS A 46 -0.312 -4.632 9.622 1.00 -0.04 C ATOM 717 NZ LYS A 46 -0.997 -5.563 10.537 1.00 -0.14 N ATOM 0 H LYS A 46 -0.044 -6.282 4.943 1.00 -0.46 H new ATOM 0 HA LYS A 46 -2.301 -7.569 5.993 1.00 0.04 H new ATOM 0 HB2 LYS A 46 -1.545 -4.651 5.628 1.00 -0.10 H new ATOM 0 HB3 LYS A 46 -2.983 -5.166 6.487 1.00 -0.10 H new ATOM 0 HG2 LYS A 46 -1.563 -6.524 8.049 1.00 -0.16 H new ATOM 0 HG3 LYS A 46 -0.125 -6.009 7.190 1.00 -0.16 H new ATOM 0 HD2 LYS A 46 -0.620 -3.632 7.737 1.00 -0.18 H new ATOM 0 HD3 LYS A 46 -2.102 -4.109 8.541 1.00 -0.18 H new ATOM 0 HE2 LYS A 46 0.684 -5.013 9.398 1.00 -0.04 H new ATOM 0 HE3 LYS A 46 -0.181 -3.669 10.117 1.00 -0.04 H new ATOM 0 HZ1 LYS A 46 -0.523 -5.552 11.462 1.00 -0.14 H new ATOM 0 HZ2 LYS A 46 -1.988 -5.270 10.653 1.00 -0.14 H new ATOM 0 HZ3 LYS A 46 -0.964 -6.525 10.142 1.00 -0.14 H new ATOM 731 N VAL A 47 -3.030 -5.602 3.397 1.00 -0.46 N ATOM 732 CA VAL A 47 -4.063 -5.336 2.402 1.00 0.04 C ATOM 733 C VAL A 47 -4.267 -6.516 1.442 1.00 0.62 C ATOM 734 O VAL A 47 -5.396 -6.770 1.025 1.00 -0.50 O ATOM 735 CB VAL A 47 -3.793 -4.011 1.671 1.00 -0.01 C ATOM 736 CG1 VAL A 47 -2.584 -4.096 0.734 1.00 -0.09 C ATOM 737 CG2 VAL A 47 -5.031 -3.567 0.879 1.00 -0.09 C ATOM 0 H VAL A 47 -2.251 -4.944 3.373 1.00 -0.46 H new ATOM 0 HA VAL A 47 -5.010 -5.224 2.930 1.00 0.04 H new ATOM 0 HB VAL A 47 -3.566 -3.271 2.439 1.00 -0.01 H new ATOM 0 HG11 VAL A 47 -2.436 -3.134 0.242 1.00 -0.09 H new ATOM 0 HG12 VAL A 47 -1.694 -4.349 1.310 1.00 -0.09 H new ATOM 0 HG13 VAL A 47 -2.760 -4.865 -0.018 1.00 -0.09 H new ATOM 0 HG21 VAL A 47 -4.819 -2.627 0.369 1.00 -0.09 H new ATOM 0 HG22 VAL A 47 -5.285 -4.330 0.143 1.00 -0.09 H new ATOM 0 HG23 VAL A 47 -5.869 -3.428 1.562 1.00 -0.09 H new ATOM 747 N MET A 48 -3.196 -7.257 1.123 1.00 -0.46 N ATOM 748 CA MET A 48 -3.274 -8.467 0.314 1.00 0.04 C ATOM 749 C MET A 48 -4.208 -9.503 0.955 1.00 0.62 C ATOM 750 O MET A 48 -4.923 -10.207 0.245 1.00 -0.50 O ATOM 751 CB MET A 48 -1.862 -9.034 0.089 1.00 -0.15 C ATOM 752 CG MET A 48 -1.888 -10.318 -0.753 1.00 -0.05 C ATOM 753 SD MET A 48 -2.570 -10.128 -2.426 1.00 0.74 S ATOM 754 CE MET A 48 -3.200 -11.804 -2.702 1.00 -0.13 C ATOM 0 H MET A 48 -2.249 -7.027 1.424 1.00 -0.46 H new ATOM 0 HA MET A 48 -3.701 -8.216 -0.657 1.00 0.04 H new ATOM 0 HB2 MET A 48 -1.245 -8.286 -0.409 1.00 -0.15 H new ATOM 0 HB3 MET A 48 -1.396 -9.241 1.052 1.00 -0.15 H new ATOM 0 HG2 MET A 48 -0.871 -10.702 -0.833 1.00 -0.05 H new ATOM 0 HG3 MET A 48 -2.472 -11.070 -0.223 1.00 -0.05 H new ATOM 0 HE1 MET A 48 -3.655 -11.863 -3.691 1.00 -0.13 H new ATOM 0 HE2 MET A 48 -2.378 -12.517 -2.637 1.00 -0.13 H new ATOM 0 HE3 MET A 48 -3.947 -12.041 -1.944 1.00 -0.13 H new ATOM 764 N ASN A 49 -4.210 -9.596 2.290 1.00 -0.46 N ATOM 765 CA ASN A 49 -5.103 -10.483 3.024 1.00 0.04 C ATOM 766 C ASN A 49 -6.508 -9.879 3.108 1.00 0.62 C ATOM 767 O ASN A 49 -7.486 -10.590 2.886 1.00 -0.50 O ATOM 768 CB ASN A 49 -4.539 -10.778 4.421 1.00 -0.09 C ATOM 769 CG ASN A 49 -3.166 -11.452 4.381 1.00 0.68 C ATOM 770 OD1 ASN A 49 -2.763 -12.016 3.365 1.00 -0.47 O ATOM 771 ND2 ASN A 49 -2.439 -11.396 5.497 1.00 -0.87 N ATOM 0 H ASN A 49 -3.587 -9.053 2.889 1.00 -0.46 H new ATOM 0 HA ASN A 49 -5.176 -11.428 2.486 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -4.464 -9.846 4.981 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -5.237 -11.419 4.961 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -1.516 -11.830 5.527 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 -2.805 -10.919 6.321 1.00 -0.87 H new ATOM 778 N MET A 50 -6.612 -8.580 3.427 1.00 -0.46 N ATOM 779 CA MET A 50 -7.890 -7.892 3.591 1.00 0.04 C ATOM 780 C MET A 50 -8.745 -7.979 2.323 1.00 0.62 C ATOM 781 O MET A 50 -9.943 -8.236 2.420 1.00 -0.50 O ATOM 782 CB MET A 50 -7.691 -6.417 3.973 1.00 -0.15 C ATOM 783 CG MET A 50 -6.968 -6.190 5.306 1.00 -0.05 C ATOM 784 SD MET A 50 -7.812 -6.802 6.786 1.00 0.74 S ATOM 785 CE MET A 50 -6.614 -6.311 8.051 1.00 -0.13 C ATOM 0 H MET A 50 -5.803 -7.978 3.578 1.00 -0.46 H new ATOM 0 HA MET A 50 -8.413 -8.399 4.402 1.00 0.04 H new ATOM 0 HB2 MET A 50 -7.127 -5.924 3.181 1.00 -0.15 H new ATOM 0 HB3 MET A 50 -8.667 -5.933 4.018 1.00 -0.15 H new ATOM 0 HG2 MET A 50 -5.988 -6.664 5.250 1.00 -0.05 H new ATOM 0 HG3 MET A 50 -6.798 -5.120 5.426 1.00 -0.05 H new ATOM 0 HE1 MET A 50 -6.977 -6.613 9.033 1.00 -0.13 H new ATOM 0 HE2 MET A 50 -5.657 -6.795 7.853 1.00 -0.13 H new ATOM 0 HE3 MET A 50 -6.485 -5.229 8.029 1.00 -0.13 H new ATOM 795 N GLN A 51 -8.141 -7.746 1.146 1.00 -0.46 N ATOM 796 CA GLN A 51 -8.867 -7.691 -0.118 1.00 0.04 C ATOM 797 C GLN A 51 -9.644 -8.981 -0.379 1.00 0.62 C ATOM 798 O GLN A 51 -10.858 -8.917 -0.562 1.00 -0.50 O ATOM 799 CB GLN A 51 -7.981 -7.203 -1.279 1.00 -0.10 C ATOM 800 CG GLN A 51 -6.816 -8.121 -1.674 1.00 -0.10 C ATOM 801 CD GLN A 51 -7.167 -9.204 -2.698 1.00 0.68 C ATOM 802 OE1 GLN A 51 -8.316 -9.349 -3.111 1.00 -0.47 O ATOM 803 NE2 GLN A 51 -6.159 -9.960 -3.132 1.00 -0.87 N ATOM 0 H GLN A 51 -7.137 -7.592 1.052 1.00 -0.46 H new ATOM 0 HA GLN A 51 -9.636 -6.922 -0.039 1.00 0.04 H new ATOM 0 HB2 GLN A 51 -8.614 -7.056 -2.154 1.00 -0.10 H new ATOM 0 HB3 GLN A 51 -7.574 -6.228 -1.013 1.00 -0.10 H new ATOM 0 HG2 GLN A 51 -6.010 -7.508 -2.077 1.00 -0.10 H new ATOM 0 HG3 GLN A 51 -6.431 -8.603 -0.775 1.00 -0.10 H new ATOM 0 HE21 GLN A 51 -5.218 -9.813 -2.768 1.00 -0.87 H new ATOM 0 HE22 GLN A 51 -6.329 -10.686 -3.828 1.00 -0.87 H new ATOM 812 N ALA A 52 -8.963 -10.135 -0.340 1.00 -0.46 N ATOM 813 CA ALA A 52 -9.532 -11.470 -0.501 1.00 0.04 C ATOM 814 C ALA A 52 -10.260 -11.655 -1.841 1.00 0.62 C ATOM 815 O ALA A 52 -9.735 -12.308 -2.742 1.00 -0.50 O ATOM 816 CB ALA A 52 -10.412 -11.827 0.704 1.00 -0.10 C ATOM 0 H ALA A 52 -7.955 -10.158 -0.188 1.00 -0.46 H new ATOM 0 HA ALA A 52 -8.703 -12.177 -0.530 1.00 0.04 H new ATOM 0 HB1 ALA A 52 -10.828 -12.825 0.568 1.00 -0.10 H new ATOM 0 HB2 ALA A 52 -9.811 -11.806 1.613 1.00 -0.10 H new ATOM 0 HB3 ALA A 52 -11.223 -11.104 0.789 1.00 -0.10 H new ATOM 822 N LYS A 53 -11.474 -11.104 -1.962 1.00 -0.46 N ATOM 823 CA LYS A 53 -12.305 -11.140 -3.153 1.00 0.04 C ATOM 824 C LYS A 53 -13.071 -9.808 -3.237 1.00 0.62 C ATOM 825 O LYS A 53 -12.441 -8.753 -3.282 1.00 -0.50 O ATOM 826 CB LYS A 53 -13.186 -12.403 -3.094 1.00 -0.10 C ATOM 827 CG LYS A 53 -13.816 -12.802 -4.439 1.00 -0.16 C ATOM 828 CD LYS A 53 -12.812 -13.295 -5.497 1.00 -0.18 C ATOM 829 CE LYS A 53 -11.904 -14.446 -5.037 1.00 -0.04 C ATOM 830 NZ LYS A 53 -12.669 -15.573 -4.473 1.00 -0.14 N ATOM 0 H LYS A 53 -11.916 -10.600 -1.193 1.00 -0.46 H new ATOM 0 HA LYS A 53 -11.733 -11.221 -4.077 1.00 0.04 H new ATOM 0 HB2 LYS A 53 -12.584 -13.234 -2.728 1.00 -0.10 H new ATOM 0 HB3 LYS A 53 -13.982 -12.242 -2.367 1.00 -0.10 H new ATOM 0 HG2 LYS A 53 -14.552 -13.587 -4.262 1.00 -0.16 H new ATOM 0 HG3 LYS A 53 -14.355 -11.944 -4.841 1.00 -0.16 H new ATOM 0 HD2 LYS A 53 -13.365 -13.617 -6.379 1.00 -0.18 H new ATOM 0 HD3 LYS A 53 -12.186 -12.457 -5.802 1.00 -0.18 H new ATOM 0 HE2 LYS A 53 -11.312 -14.798 -5.882 1.00 -0.04 H new ATOM 0 HE3 LYS A 53 -11.203 -14.076 -4.289 1.00 -0.04 H new ATOM 0 HZ1 LYS A 53 -12.024 -16.364 -4.271 1.00 -0.14 H new ATOM 0 HZ2 LYS A 53 -13.133 -15.271 -3.593 1.00 -0.14 H new ATOM 0 HZ3 LYS A 53 -13.390 -15.880 -5.157 1.00 -0.14 H new ATOM 844 N ALA A 54 -14.411 -9.839 -3.260 1.00 -0.46 N ATOM 845 CA ALA A 54 -15.275 -8.664 -3.346 1.00 0.04 C ATOM 846 C ALA A 54 -15.702 -8.150 -1.964 1.00 0.62 C ATOM 847 O ALA A 54 -16.122 -6.999 -1.849 1.00 -0.50 O ATOM 848 CB ALA A 54 -16.507 -9.018 -4.181 1.00 -0.10 C ATOM 0 H ALA A 54 -14.935 -10.713 -3.218 1.00 -0.46 H new ATOM 0 HA ALA A 54 -14.711 -7.861 -3.820 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -17.160 -8.148 -4.253 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -16.194 -9.320 -5.181 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -17.045 -9.838 -3.706 1.00 -0.10 H new ATOM 854 N GLU A 55 -15.607 -9.002 -0.933 1.00 -0.46 N ATOM 855 CA GLU A 55 -16.047 -8.729 0.431 1.00 0.04 C ATOM 856 C GLU A 55 -15.516 -7.390 0.952 1.00 0.62 C ATOM 857 O GLU A 55 -16.246 -6.646 1.603 1.00 -0.50 O ATOM 858 CB GLU A 55 -15.610 -9.891 1.335 1.00 -0.18 C ATOM 859 CG GLU A 55 -16.285 -9.852 2.713 1.00 -0.40 C ATOM 860 CD GLU A 55 -17.792 -10.076 2.610 1.00 0.71 C ATOM 861 OE1 GLU A 55 -18.176 -11.249 2.409 1.00 -0.72 O ATOM 862 OE2 GLU A 55 -18.530 -9.071 2.708 1.00 -0.72 O ATOM 0 H GLU A 55 -15.205 -9.934 -1.037 1.00 -0.46 H new ATOM 0 HA GLU A 55 -17.134 -8.648 0.438 1.00 0.04 H new ATOM 0 HB2 GLU A 55 -15.846 -10.836 0.846 1.00 -0.18 H new ATOM 0 HB3 GLU A 55 -14.528 -9.860 1.463 1.00 -0.18 H new ATOM 0 HG2 GLU A 55 -15.847 -10.616 3.355 1.00 -0.40 H new ATOM 0 HG3 GLU A 55 -16.092 -8.889 3.186 1.00 -0.40 H new ATOM 869 N PHE A 56 -14.252 -7.092 0.626 1.00 -0.46 N ATOM 870 CA PHE A 56 -13.543 -5.851 0.912 1.00 0.04 C ATOM 871 C PHE A 56 -14.457 -4.625 0.819 1.00 0.62 C ATOM 872 O PHE A 56 -14.683 -3.948 1.818 1.00 -0.50 O ATOM 873 CB PHE A 56 -12.357 -5.764 -0.060 1.00 -0.10 C ATOM 874 CG PHE A 56 -11.308 -4.710 0.242 1.00 -0.10 C ATOM 875 CD1 PHE A 56 -10.442 -4.874 1.341 1.00 -0.15 C ATOM 876 CD2 PHE A 56 -11.105 -3.638 -0.647 1.00 -0.15 C ATOM 877 CE1 PHE A 56 -9.346 -4.011 1.514 1.00 -0.15 C ATOM 878 CE2 PHE A 56 -10.021 -2.761 -0.462 1.00 -0.15 C ATOM 879 CZ PHE A 56 -9.128 -2.962 0.604 1.00 -0.15 C ATOM 0 H PHE A 56 -13.665 -7.758 0.123 1.00 -0.46 H new ATOM 0 HA PHE A 56 -13.184 -5.857 1.941 1.00 0.04 H new ATOM 0 HB2 PHE A 56 -11.865 -6.737 -0.086 1.00 -0.10 H new ATOM 0 HB3 PHE A 56 -12.749 -5.578 -1.060 1.00 -0.10 H new ATOM 0 HD1 PHE A 56 -10.621 -5.666 2.053 1.00 -0.15 H new ATOM 0 HD2 PHE A 56 -11.784 -3.488 -1.474 1.00 -0.15 H new ATOM 0 HE1 PHE A 56 -8.672 -4.154 2.346 1.00 -0.15 H new ATOM 0 HE2 PHE A 56 -9.875 -1.933 -1.140 1.00 -0.15 H new ATOM 0 HZ PHE A 56 -8.275 -2.311 0.724 1.00 -0.15 H new ATOM 889 N TYR A 57 -15.004 -4.359 -0.372 1.00 -0.46 N ATOM 890 CA TYR A 57 -15.859 -3.207 -0.635 1.00 0.04 C ATOM 891 C TYR A 57 -17.324 -3.436 -0.259 1.00 0.62 C ATOM 892 O TYR A 57 -18.096 -2.479 -0.241 1.00 -0.50 O ATOM 893 CB TYR A 57 -15.711 -2.776 -2.097 1.00 -0.10 C ATOM 894 CG TYR A 57 -15.854 -3.872 -3.134 1.00 -0.03 C ATOM 895 CD1 TYR A 57 -17.124 -4.269 -3.589 1.00 0.00 C ATOM 896 CD2 TYR A 57 -14.699 -4.403 -3.737 1.00 0.00 C ATOM 897 CE1 TYR A 57 -17.235 -5.162 -4.669 1.00 -0.26 C ATOM 898 CE2 TYR A 57 -14.808 -5.268 -4.837 1.00 -0.26 C ATOM 899 CZ TYR A 57 -16.078 -5.638 -5.312 1.00 0.46 C ATOM 900 OH TYR A 57 -16.188 -6.451 -6.400 1.00 -0.53 O ATOM 0 H TYR A 57 -14.860 -4.950 -1.190 1.00 -0.46 H new ATOM 0 HA TYR A 57 -15.522 -2.399 0.014 1.00 0.04 H new ATOM 0 HB2 TYR A 57 -16.456 -2.008 -2.305 1.00 -0.10 H new ATOM 0 HB3 TYR A 57 -14.732 -2.313 -2.220 1.00 -0.10 H new ATOM 0 HD1 TYR A 57 -18.013 -3.888 -3.109 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.724 -4.144 -3.352 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -18.210 -5.483 -5.005 1.00 -0.26 H new ATOM 0 HE2 TYR A 57 -13.918 -5.648 -5.317 1.00 -0.26 H new ATOM 0 HH TYR A 57 -15.294 -6.688 -6.723 1.00 -0.53 H new ATOM 910 N SER A 58 -17.721 -4.677 0.038 1.00 -0.46 N ATOM 911 CA SER A 58 -19.103 -5.001 0.347 1.00 0.04 C ATOM 912 C SER A 58 -19.522 -4.406 1.696 1.00 0.62 C ATOM 913 O SER A 58 -20.543 -3.726 1.771 1.00 -0.50 O ATOM 914 CB SER A 58 -19.309 -6.520 0.315 1.00 0.02 C ATOM 915 OG SER A 58 -18.905 -7.041 -0.937 1.00 -0.55 O ATOM 0 H SER A 58 -17.090 -5.478 0.069 1.00 -0.46 H new ATOM 0 HA SER A 58 -19.743 -4.554 -0.414 1.00 0.04 H new ATOM 0 HB2 SER A 58 -18.736 -6.989 1.115 1.00 0.02 H new ATOM 0 HB3 SER A 58 -20.358 -6.756 0.494 1.00 0.02 H new ATOM 0 HG SER A 58 -17.933 -6.954 -1.029 1.00 -0.55 H new ATOM 921 N GLU A 59 -18.744 -4.671 2.754 1.00 -0.46 N ATOM 922 CA GLU A 59 -19.135 -4.386 4.133 1.00 0.04 C ATOM 923 C GLU A 59 -18.589 -3.062 4.690 1.00 0.62 C ATOM 924 O GLU A 59 -18.698 -2.842 5.893 1.00 -0.50 O ATOM 925 CB GLU A 59 -18.752 -5.581 5.024 1.00 -0.18 C ATOM 926 CG GLU A 59 -17.237 -5.815 5.112 1.00 -0.40 C ATOM 927 CD GLU A 59 -16.885 -6.924 6.102 1.00 0.71 C ATOM 928 OE1 GLU A 59 -17.596 -7.952 6.090 1.00 -0.72 O ATOM 929 OE2 GLU A 59 -15.908 -6.726 6.856 1.00 -0.72 O ATOM 0 H GLU A 59 -17.819 -5.093 2.672 1.00 -0.46 H new ATOM 0 HA GLU A 59 -20.216 -4.250 4.136 1.00 0.04 H new ATOM 0 HB2 GLU A 59 -19.146 -5.418 6.027 1.00 -0.18 H new ATOM 0 HB3 GLU A 59 -19.229 -6.481 4.637 1.00 -0.18 H new ATOM 0 HG2 GLU A 59 -16.852 -6.074 4.126 1.00 -0.40 H new ATOM 0 HG3 GLU A 59 -16.744 -4.891 5.413 1.00 -0.40 H new ATOM 936 N VAL A 60 -18.017 -2.184 3.847 1.00 -0.46 N ATOM 937 CA VAL A 60 -17.346 -0.940 4.247 1.00 0.04 C ATOM 938 C VAL A 60 -15.995 -1.241 4.912 1.00 0.62 C ATOM 939 O VAL A 60 -15.775 -2.353 5.388 1.00 -0.50 O ATOM 940 CB VAL A 60 -18.274 -0.012 5.080 1.00 -0.01 C ATOM 941 CG1 VAL A 60 -17.890 0.119 6.564 1.00 -0.09 C ATOM 942 CG2 VAL A 60 -18.317 1.405 4.496 1.00 -0.09 C ATOM 0 H VAL A 60 -18.010 -2.328 2.837 1.00 -0.46 H new ATOM 0 HA VAL A 60 -17.122 -0.365 3.349 1.00 0.04 H new ATOM 0 HB VAL A 60 -19.246 -0.502 5.023 1.00 -0.01 H new ATOM 0 HG11 VAL A 60 -18.593 0.785 7.064 1.00 -0.09 H new ATOM 0 HG12 VAL A 60 -17.922 -0.863 7.036 1.00 -0.09 H new ATOM 0 HG13 VAL A 60 -16.883 0.528 6.644 1.00 -0.09 H new ATOM 0 HG21 VAL A 60 -18.975 2.028 5.102 1.00 -0.09 H new ATOM 0 HG22 VAL A 60 -17.313 1.829 4.496 1.00 -0.09 H new ATOM 0 HG23 VAL A 60 -18.694 1.366 3.474 1.00 -0.09 H new ATOM 952 N LEU A 61 -15.080 -0.261 4.925 1.00 -0.46 N ATOM 953 CA LEU A 61 -13.746 -0.413 5.495 1.00 0.04 C ATOM 954 C LEU A 61 -13.338 0.811 6.309 1.00 0.62 C ATOM 955 O LEU A 61 -13.953 1.872 6.206 1.00 -0.50 O ATOM 956 CB LEU A 61 -12.673 -0.659 4.423 1.00 -0.06 C ATOM 957 CG LEU A 61 -13.079 -1.605 3.288 1.00 -0.01 C ATOM 958 CD1 LEU A 61 -13.672 -0.847 2.095 1.00 -0.11 C ATOM 959 CD2 LEU A 61 -11.839 -2.341 2.794 1.00 -0.11 C ATOM 0 H LEU A 61 -15.253 0.665 4.535 1.00 -0.46 H new ATOM 0 HA LEU A 61 -13.806 -1.286 6.144 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -12.391 0.300 3.989 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -11.785 -1.063 4.909 1.00 -0.06 H new ATOM 0 HG LEU A 61 -13.831 -2.289 3.681 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -13.946 -1.556 1.313 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -14.558 -0.300 2.416 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -12.934 -0.146 1.706 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -12.116 -3.018 1.986 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -11.109 -1.619 2.429 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -11.405 -2.913 3.614 1.00 -0.11 H new ATOM 971 N THR A 62 -12.261 0.637 7.082 1.00 -0.46 N ATOM 972 CA THR A 62 -11.632 1.641 7.919 1.00 0.04 C ATOM 973 C THR A 62 -10.133 1.656 7.612 1.00 0.62 C ATOM 974 O THR A 62 -9.452 0.651 7.824 1.00 -0.50 O ATOM 975 CB THR A 62 -11.882 1.288 9.391 1.00 0.17 C ATOM 976 OG1 THR A 62 -13.271 1.161 9.619 1.00 -0.55 O ATOM 977 CG2 THR A 62 -11.314 2.368 10.316 1.00 -0.19 C ATOM 0 H THR A 62 -11.784 -0.263 7.137 1.00 -0.46 H new ATOM 0 HA THR A 62 -12.047 2.629 7.722 1.00 0.04 H new ATOM 0 HB THR A 62 -11.381 0.344 9.608 1.00 0.17 H new ATOM 0 HG1 THR A 62 -13.429 0.934 10.559 1.00 -0.55 H new ATOM 0 HG21 THR A 62 -11.504 2.095 11.354 1.00 -0.19 H new ATOM 0 HG22 THR A 62 -10.240 2.457 10.155 1.00 -0.19 H new ATOM 0 HG23 THR A 62 -11.794 3.322 10.099 1.00 -0.19 H new ATOM 985 N ILE A 63 -9.623 2.798 7.131 1.00 -0.46 N ATOM 986 CA ILE A 63 -8.198 3.026 6.942 1.00 0.04 C ATOM 987 C ILE A 63 -7.686 3.819 8.139 1.00 0.62 C ATOM 988 O ILE A 63 -8.199 4.900 8.422 1.00 -0.50 O ATOM 989 CB ILE A 63 -7.914 3.792 5.636 1.00 -0.01 C ATOM 990 CG1 ILE A 63 -8.614 3.159 4.425 1.00 -0.05 C ATOM 991 CG2 ILE A 63 -6.396 3.839 5.402 1.00 -0.09 C ATOM 992 CD1 ILE A 63 -8.369 3.981 3.158 1.00 -0.09 C ATOM 0 H ILE A 63 -10.201 3.594 6.861 1.00 -0.46 H new ATOM 0 HA ILE A 63 -7.686 2.066 6.867 1.00 0.04 H new ATOM 0 HB ILE A 63 -8.313 4.801 5.743 1.00 -0.01 H new ATOM 0 HG12 ILE A 63 -8.248 2.143 4.280 1.00 -0.05 H new ATOM 0 HG13 ILE A 63 -9.685 3.088 4.615 1.00 -0.05 H new ATOM 0 HG21 ILE A 63 -6.187 4.380 4.479 1.00 -0.09 H new ATOM 0 HG22 ILE A 63 -5.915 4.347 6.238 1.00 -0.09 H new ATOM 0 HG23 ILE A 63 -6.008 2.823 5.323 1.00 -0.09 H new ATOM 0 HD11 ILE A 63 -8.876 3.511 2.315 1.00 -0.09 H new ATOM 0 HD12 ILE A 63 -8.758 4.990 3.298 1.00 -0.09 H new ATOM 0 HD13 ILE A 63 -7.299 4.029 2.957 1.00 -0.09 H new ATOM 1004 N VAL A 64 -6.656 3.300 8.814 1.00 -0.46 N ATOM 1005 CA VAL A 64 -5.948 4.015 9.862 1.00 0.04 C ATOM 1006 C VAL A 64 -4.902 4.900 9.179 1.00 0.62 C ATOM 1007 O VAL A 64 -3.753 4.490 9.022 1.00 -0.50 O ATOM 1008 CB VAL A 64 -5.334 3.017 10.862 1.00 -0.01 C ATOM 1009 CG1 VAL A 64 -4.635 3.754 12.010 1.00 -0.09 C ATOM 1010 CG2 VAL A 64 -6.416 2.102 11.453 1.00 -0.09 C ATOM 0 H VAL A 64 -6.293 2.363 8.641 1.00 -0.46 H new ATOM 0 HA VAL A 64 -6.617 4.647 10.445 1.00 0.04 H new ATOM 0 HB VAL A 64 -4.605 2.417 10.316 1.00 -0.01 H new ATOM 0 HG11 VAL A 64 -4.210 3.028 12.703 1.00 -0.09 H new ATOM 0 HG12 VAL A 64 -3.840 4.382 11.608 1.00 -0.09 H new ATOM 0 HG13 VAL A 64 -5.358 4.377 12.536 1.00 -0.09 H new ATOM 0 HG21 VAL A 64 -5.959 1.406 12.156 1.00 -0.09 H new ATOM 0 HG22 VAL A 64 -7.160 2.706 11.972 1.00 -0.09 H new ATOM 0 HG23 VAL A 64 -6.898 1.543 10.651 1.00 -0.09 H new ATOM 1020 N VAL A 65 -5.311 6.103 8.759 1.00 -0.46 N ATOM 1021 CA VAL A 65 -4.428 7.090 8.150 1.00 0.04 C ATOM 1022 C VAL A 65 -3.790 7.890 9.282 1.00 0.62 C ATOM 1023 O VAL A 65 -4.301 8.946 9.658 1.00 -0.50 O ATOM 1024 CB VAL A 65 -5.205 7.992 7.170 1.00 -0.01 C ATOM 1025 CG1 VAL A 65 -4.256 8.969 6.461 1.00 -0.09 C ATOM 1026 CG2 VAL A 65 -5.918 7.160 6.099 1.00 -0.09 C ATOM 0 H VAL A 65 -6.278 6.417 8.836 1.00 -0.46 H new ATOM 0 HA VAL A 65 -3.650 6.604 7.561 1.00 0.04 H new ATOM 0 HB VAL A 65 -5.940 8.542 7.758 1.00 -0.01 H new ATOM 0 HG11 VAL A 65 -4.825 9.596 5.774 1.00 -0.09 H new ATOM 0 HG12 VAL A 65 -3.762 9.598 7.201 1.00 -0.09 H new ATOM 0 HG13 VAL A 65 -3.506 8.408 5.903 1.00 -0.09 H new ATOM 0 HG21 VAL A 65 -6.457 7.823 5.423 1.00 -0.09 H new ATOM 0 HG22 VAL A 65 -5.183 6.586 5.535 1.00 -0.09 H new ATOM 0 HG23 VAL A 65 -6.622 6.478 6.577 1.00 -0.09 H new ATOM 1036 N ASP A 66 -2.690 7.362 9.833 1.00 -0.46 N ATOM 1037 CA ASP A 66 -1.982 7.934 10.971 1.00 0.04 C ATOM 1038 C ASP A 66 -2.966 8.235 12.107 1.00 0.62 C ATOM 1039 O ASP A 66 -3.256 9.391 12.414 1.00 -0.50 O ATOM 1040 CB ASP A 66 -1.167 9.159 10.525 1.00 -0.40 C ATOM 1041 CG ASP A 66 -0.345 9.768 11.660 1.00 0.71 C ATOM 1042 OD1 ASP A 66 0.124 8.988 12.517 1.00 -0.72 O ATOM 1043 OD2 ASP A 66 -0.195 11.010 11.647 1.00 -0.72 O ATOM 0 H ASP A 66 -2.262 6.504 9.487 1.00 -0.46 H new ATOM 0 HA ASP A 66 -1.265 7.214 11.366 1.00 0.04 H new ATOM 0 HB2 ASP A 66 -0.499 8.870 9.714 1.00 -0.40 H new ATOM 0 HB3 ASP A 66 -1.844 9.915 10.127 1.00 -0.40 H new ATOM 1048 N GLY A 67 -3.520 7.172 12.701 1.00 -0.46 N ATOM 1049 CA GLY A 67 -4.496 7.266 13.774 1.00 0.04 C ATOM 1050 C GLY A 67 -5.920 7.425 13.239 1.00 0.62 C ATOM 1051 O GLY A 67 -6.810 6.682 13.646 1.00 -0.50 O ATOM 0 H GLY A 67 -3.295 6.212 12.441 1.00 -0.46 H new ATOM 0 HA2 GLY A 67 -4.440 6.372 14.395 1.00 0.04 H new ATOM 0 HA3 GLY A 67 -4.252 8.114 14.413 1.00 0.04 H new ATOM 1055 N LYS A 68 -6.144 8.409 12.356 1.00 -0.46 N ATOM 1056 CA LYS A 68 -7.482 8.789 11.921 1.00 0.04 C ATOM 1057 C LYS A 68 -8.163 7.660 11.142 1.00 0.62 C ATOM 1058 O LYS A 68 -7.647 7.205 10.123 1.00 -0.50 O ATOM 1059 CB LYS A 68 -7.443 10.080 11.092 1.00 -0.10 C ATOM 1060 CG LYS A 68 -6.839 11.243 11.890 1.00 -0.16 C ATOM 1061 CD LYS A 68 -7.266 12.608 11.335 1.00 -0.18 C ATOM 1062 CE LYS A 68 -6.801 12.828 9.891 1.00 -0.04 C ATOM 1063 NZ LYS A 68 -7.200 14.158 9.399 1.00 -0.14 N ATOM 0 H LYS A 68 -5.399 8.959 11.928 1.00 -0.46 H new ATOM 0 HA LYS A 68 -8.077 8.976 12.815 1.00 0.04 H new ATOM 0 HB2 LYS A 68 -6.857 9.915 10.188 1.00 -0.10 H new ATOM 0 HB3 LYS A 68 -8.453 10.341 10.775 1.00 -0.10 H new ATOM 0 HG2 LYS A 68 -7.146 11.164 12.933 1.00 -0.16 H new ATOM 0 HG3 LYS A 68 -5.752 11.169 11.871 1.00 -0.16 H new ATOM 0 HD2 LYS A 68 -8.352 12.691 11.380 1.00 -0.18 H new ATOM 0 HD3 LYS A 68 -6.860 13.397 11.968 1.00 -0.18 H new ATOM 0 HE2 LYS A 68 -5.717 12.727 9.836 1.00 -0.04 H new ATOM 0 HE3 LYS A 68 -7.226 12.057 9.248 1.00 -0.04 H new ATOM 0 HZ1 LYS A 68 -6.872 14.279 8.420 1.00 -0.14 H new ATOM 0 HZ2 LYS A 68 -8.236 14.243 9.430 1.00 -0.14 H new ATOM 0 HZ3 LYS A 68 -6.774 14.892 10.000 1.00 -0.14 H new ATOM 1077 N GLU A 69 -9.331 7.231 11.635 1.00 -0.46 N ATOM 1078 CA GLU A 69 -10.153 6.180 11.056 1.00 0.04 C ATOM 1079 C GLU A 69 -10.959 6.732 9.879 1.00 0.62 C ATOM 1080 O GLU A 69 -12.134 7.064 10.029 1.00 -0.50 O ATOM 1081 CB GLU A 69 -11.087 5.623 12.140 1.00 -0.18 C ATOM 1082 CG GLU A 69 -10.323 4.869 13.231 1.00 -0.40 C ATOM 1083 CD GLU A 69 -11.293 4.267 14.243 1.00 0.71 C ATOM 1084 OE1 GLU A 69 -11.994 3.308 13.853 1.00 -0.72 O ATOM 1085 OE2 GLU A 69 -11.334 4.789 15.378 1.00 -0.72 O ATOM 0 H GLU A 69 -9.739 7.627 12.482 1.00 -0.46 H new ATOM 0 HA GLU A 69 -9.518 5.377 10.683 1.00 0.04 H new ATOM 0 HB2 GLU A 69 -11.646 6.443 12.591 1.00 -0.18 H new ATOM 0 HB3 GLU A 69 -11.815 4.955 11.681 1.00 -0.18 H new ATOM 0 HG2 GLU A 69 -9.720 4.080 12.782 1.00 -0.40 H new ATOM 0 HG3 GLU A 69 -9.635 5.547 13.736 1.00 -0.40 H new ATOM 1092 N ILE A 70 -10.332 6.816 8.701 1.00 -0.46 N ATOM 1093 CA ILE A 70 -10.992 7.262 7.483 1.00 0.04 C ATOM 1094 C ILE A 70 -11.847 6.109 6.949 1.00 0.62 C ATOM 1095 O ILE A 70 -11.316 5.124 6.440 1.00 -0.50 O ATOM 1096 CB ILE A 70 -9.956 7.753 6.454 1.00 -0.01 C ATOM 1097 CG1 ILE A 70 -9.020 8.842 7.018 1.00 -0.05 C ATOM 1098 CG2 ILE A 70 -10.654 8.256 5.181 1.00 -0.09 C ATOM 1099 CD1 ILE A 70 -9.732 10.099 7.530 1.00 -0.09 C ATOM 0 H ILE A 70 -9.350 6.574 8.572 1.00 -0.46 H new ATOM 0 HA ILE A 70 -11.643 8.111 7.689 1.00 0.04 H new ATOM 0 HB ILE A 70 -9.331 6.895 6.208 1.00 -0.01 H new ATOM 0 HG12 ILE A 70 -8.437 8.414 7.834 1.00 -0.05 H new ATOM 0 HG13 ILE A 70 -8.314 9.133 6.240 1.00 -0.05 H new ATOM 0 HG21 ILE A 70 -9.905 8.598 4.467 1.00 -0.09 H new ATOM 0 HG22 ILE A 70 -11.233 7.445 4.739 1.00 -0.09 H new ATOM 0 HG23 ILE A 70 -11.319 9.082 5.433 1.00 -0.09 H new ATOM 0 HD11 ILE A 70 -8.994 10.807 7.907 1.00 -0.09 H new ATOM 0 HD12 ILE A 70 -10.292 10.558 6.715 1.00 -0.09 H new ATOM 0 HD13 ILE A 70 -10.417 9.827 8.333 1.00 -0.09 H new ATOM 1111 N LYS A 71 -13.174 6.235 7.082 1.00 -0.46 N ATOM 1112 CA LYS A 71 -14.132 5.261 6.577 1.00 0.04 C ATOM 1113 C LYS A 71 -14.247 5.392 5.057 1.00 0.62 C ATOM 1114 O LYS A 71 -14.456 6.490 4.543 1.00 -0.50 O ATOM 1115 CB LYS A 71 -15.501 5.449 7.249 1.00 -0.10 C ATOM 1116 CG LYS A 71 -15.698 4.548 8.477 1.00 -0.16 C ATOM 1117 CD LYS A 71 -14.677 4.808 9.591 1.00 -0.18 C ATOM 1118 CE LYS A 71 -14.932 3.903 10.803 1.00 -0.04 C ATOM 1119 NZ LYS A 71 -16.173 4.255 11.516 1.00 -0.14 N ATOM 0 H LYS A 71 -13.611 7.029 7.550 1.00 -0.46 H new ATOM 0 HA LYS A 71 -13.779 4.258 6.817 1.00 0.04 H new ATOM 0 HB2 LYS A 71 -15.612 6.491 7.549 1.00 -0.10 H new ATOM 0 HB3 LYS A 71 -16.287 5.241 6.523 1.00 -0.10 H new ATOM 0 HG2 LYS A 71 -16.703 4.699 8.872 1.00 -0.16 H new ATOM 0 HG3 LYS A 71 -15.630 3.505 8.168 1.00 -0.16 H new ATOM 0 HD2 LYS A 71 -13.670 4.636 9.211 1.00 -0.18 H new ATOM 0 HD3 LYS A 71 -14.728 5.853 9.897 1.00 -0.18 H new ATOM 0 HE2 LYS A 71 -14.988 2.866 10.473 1.00 -0.04 H new ATOM 0 HE3 LYS A 71 -14.089 3.974 11.490 1.00 -0.04 H new ATOM 0 HZ1 LYS A 71 -16.233 3.709 12.399 1.00 -0.14 H new ATOM 0 HZ2 LYS A 71 -16.170 5.271 11.737 1.00 -0.14 H new ATOM 0 HZ3 LYS A 71 -16.993 4.033 10.916 1.00 -0.14 H new ATOM 1133 N VAL A 72 -14.110 4.263 4.353 1.00 -0.46 N ATOM 1134 CA VAL A 72 -14.153 4.171 2.898 1.00 0.04 C ATOM 1135 C VAL A 72 -15.017 2.976 2.494 1.00 0.62 C ATOM 1136 O VAL A 72 -15.209 2.067 3.296 1.00 -0.50 O ATOM 1137 CB VAL A 72 -12.725 4.048 2.327 1.00 -0.01 C ATOM 1138 CG1 VAL A 72 -11.833 5.234 2.712 1.00 -0.09 C ATOM 1139 CG2 VAL A 72 -12.052 2.754 2.790 1.00 -0.09 C ATOM 0 H VAL A 72 -13.961 3.359 4.801 1.00 -0.46 H new ATOM 0 HA VAL A 72 -14.596 5.078 2.485 1.00 0.04 H new ATOM 0 HB VAL A 72 -12.838 4.039 1.243 1.00 -0.01 H new ATOM 0 HG11 VAL A 72 -10.840 5.096 2.284 1.00 -0.09 H new ATOM 0 HG12 VAL A 72 -12.269 6.157 2.328 1.00 -0.09 H new ATOM 0 HG13 VAL A 72 -11.755 5.294 3.798 1.00 -0.09 H new ATOM 0 HG21 VAL A 72 -11.047 2.696 2.371 1.00 -0.09 H new ATOM 0 HG22 VAL A 72 -11.993 2.744 3.878 1.00 -0.09 H new ATOM 0 HG23 VAL A 72 -12.636 1.899 2.451 1.00 -0.09 H new ATOM 1149 N LYS A 73 -15.515 2.963 1.251 1.00 -0.46 N ATOM 1150 CA LYS A 73 -16.163 1.799 0.643 1.00 0.04 C ATOM 1151 C LYS A 73 -15.396 1.334 -0.608 1.00 0.62 C ATOM 1152 O LYS A 73 -15.822 0.398 -1.280 1.00 -0.50 O ATOM 1153 CB LYS A 73 -17.640 2.120 0.360 1.00 -0.10 C ATOM 1154 CG LYS A 73 -18.498 0.845 0.277 1.00 -0.16 C ATOM 1155 CD LYS A 73 -19.946 1.074 -0.179 1.00 -0.18 C ATOM 1156 CE LYS A 73 -20.782 1.947 0.766 1.00 -0.04 C ATOM 1157 NZ LYS A 73 -20.601 3.388 0.505 1.00 -0.14 N ATOM 0 H LYS A 73 -15.477 3.773 0.633 1.00 -0.46 H new ATOM 0 HA LYS A 73 -16.139 0.960 1.338 1.00 0.04 H new ATOM 0 HB2 LYS A 73 -18.028 2.768 1.146 1.00 -0.10 H new ATOM 0 HB3 LYS A 73 -17.719 2.672 -0.576 1.00 -0.10 H new ATOM 0 HG2 LYS A 73 -18.021 0.147 -0.411 1.00 -0.16 H new ATOM 0 HG3 LYS A 73 -18.511 0.368 1.257 1.00 -0.16 H new ATOM 0 HD2 LYS A 73 -19.934 1.538 -1.165 1.00 -0.18 H new ATOM 0 HD3 LYS A 73 -20.436 0.107 -0.288 1.00 -0.18 H new ATOM 0 HE2 LYS A 73 -21.836 1.690 0.657 1.00 -0.04 H new ATOM 0 HE3 LYS A 73 -20.506 1.729 1.798 1.00 -0.04 H new ATOM 0 HZ1 LYS A 73 -20.292 3.863 1.377 1.00 -0.14 H new ATOM 0 HZ2 LYS A 73 -19.881 3.519 -0.234 1.00 -0.14 H new ATOM 0 HZ3 LYS A 73 -21.502 3.799 0.188 1.00 -0.14 H new ATOM 1171 N ALA A 74 -14.256 1.967 -0.916 1.00 -0.46 N ATOM 1172 CA ALA A 74 -13.401 1.647 -2.051 1.00 0.04 C ATOM 1173 C ALA A 74 -14.074 1.923 -3.403 1.00 0.62 C ATOM 1174 O ALA A 74 -15.175 2.470 -3.447 1.00 -0.50 O ATOM 1175 CB ALA A 74 -12.829 0.231 -1.931 1.00 -0.10 C ATOM 0 H ALA A 74 -13.897 2.742 -0.358 1.00 -0.46 H new ATOM 0 HA ALA A 74 -12.552 2.330 -2.021 1.00 0.04 H new ATOM 0 HB1 ALA A 74 -12.195 0.021 -2.792 1.00 -0.10 H new ATOM 0 HB2 ALA A 74 -12.239 0.153 -1.018 1.00 -0.10 H new ATOM 0 HB3 ALA A 74 -13.646 -0.490 -1.897 1.00 -0.10 H new ATOM 1181 N GLN A 75 -13.394 1.574 -4.507 1.00 -0.46 N ATOM 1182 CA GLN A 75 -13.873 1.835 -5.861 1.00 0.04 C ATOM 1183 C GLN A 75 -13.349 0.735 -6.800 1.00 0.62 C ATOM 1184 O GLN A 75 -13.709 -0.426 -6.604 1.00 -0.50 O ATOM 1185 CB GLN A 75 -13.518 3.286 -6.244 1.00 -0.10 C ATOM 1186 CG GLN A 75 -14.452 3.930 -7.278 1.00 -0.10 C ATOM 1187 CD GLN A 75 -14.317 3.358 -8.685 1.00 0.68 C ATOM 1188 OE1 GLN A 75 -15.228 2.697 -9.179 1.00 -0.47 O ATOM 1189 NE2 GLN A 75 -13.187 3.622 -9.344 1.00 -0.87 N ATOM 0 H GLN A 75 -12.491 1.100 -4.478 1.00 -0.46 H new ATOM 0 HA GLN A 75 -14.958 1.778 -5.944 1.00 0.04 H new ATOM 0 HB2 GLN A 75 -13.524 3.896 -5.341 1.00 -0.10 H new ATOM 0 HB3 GLN A 75 -12.500 3.304 -6.634 1.00 -0.10 H new ATOM 0 HG2 GLN A 75 -15.483 3.808 -6.946 1.00 -0.10 H new ATOM 0 HG3 GLN A 75 -14.253 5.001 -7.313 1.00 -0.10 H new ATOM 0 HE21 GLN A 75 -12.454 4.175 -8.899 1.00 -0.87 H new ATOM 0 HE22 GLN A 75 -13.056 3.271 -10.293 1.00 -0.87 H new ATOM 1198 N ASP A 76 -12.509 1.059 -7.793 1.00 -0.46 N ATOM 1199 CA ASP A 76 -11.973 0.092 -8.746 1.00 0.04 C ATOM 1200 C ASP A 76 -10.717 -0.541 -8.154 1.00 0.62 C ATOM 1201 O ASP A 76 -9.601 -0.308 -8.620 1.00 -0.50 O ATOM 1202 CB ASP A 76 -11.710 0.768 -10.102 1.00 -0.40 C ATOM 1203 CG ASP A 76 -11.123 -0.200 -11.132 1.00 0.71 C ATOM 1204 OD1 ASP A 76 -11.650 -1.331 -11.221 1.00 -0.72 O ATOM 1205 OD2 ASP A 76 -10.160 0.208 -11.817 1.00 -0.72 O ATOM 0 H ASP A 76 -12.182 2.012 -7.954 1.00 -0.46 H new ATOM 0 HA ASP A 76 -12.697 -0.702 -8.930 1.00 0.04 H new ATOM 0 HB2 ASP A 76 -12.643 1.181 -10.486 1.00 -0.40 H new ATOM 0 HB3 ASP A 76 -11.025 1.604 -9.961 1.00 -0.40 H new ATOM 1210 N VAL A 77 -10.913 -1.351 -7.108 1.00 -0.46 N ATOM 1211 CA VAL A 77 -9.833 -2.056 -6.446 1.00 0.04 C ATOM 1212 C VAL A 77 -9.188 -3.013 -7.446 1.00 0.62 C ATOM 1213 O VAL A 77 -9.827 -3.958 -7.907 1.00 -0.50 O ATOM 1214 CB VAL A 77 -10.331 -2.744 -5.161 1.00 -0.01 C ATOM 1215 CG1 VAL A 77 -10.860 -1.679 -4.196 1.00 -0.09 C ATOM 1216 CG2 VAL A 77 -11.436 -3.791 -5.358 1.00 -0.09 C ATOM 0 H VAL A 77 -11.832 -1.530 -6.703 1.00 -0.46 H new ATOM 0 HA VAL A 77 -9.064 -1.357 -6.116 1.00 0.04 H new ATOM 0 HB VAL A 77 -9.465 -3.281 -4.773 1.00 -0.01 H new ATOM 0 HG11 VAL A 77 -11.214 -2.159 -3.284 1.00 -0.09 H new ATOM 0 HG12 VAL A 77 -10.060 -0.980 -3.951 1.00 -0.09 H new ATOM 0 HG13 VAL A 77 -11.683 -1.139 -4.665 1.00 -0.09 H new ATOM 0 HG21 VAL A 77 -11.713 -4.213 -4.392 1.00 -0.09 H new ATOM 0 HG22 VAL A 77 -12.308 -3.319 -5.811 1.00 -0.09 H new ATOM 0 HG23 VAL A 77 -11.073 -4.585 -6.011 1.00 -0.09 H new ATOM 1226 N GLN A 78 -7.932 -2.743 -7.821 1.00 -0.46 N ATOM 1227 CA GLN A 78 -7.251 -3.474 -8.878 1.00 0.04 C ATOM 1228 C GLN A 78 -6.588 -4.716 -8.273 1.00 0.62 C ATOM 1229 O GLN A 78 -5.380 -4.920 -8.399 1.00 -0.50 O ATOM 1230 CB GLN A 78 -6.280 -2.517 -9.588 1.00 -0.10 C ATOM 1231 CG GLN A 78 -5.895 -2.987 -10.997 1.00 -0.10 C ATOM 1232 CD GLN A 78 -7.096 -3.075 -11.938 1.00 0.68 C ATOM 1233 OE1 GLN A 78 -7.330 -4.116 -12.547 1.00 -0.47 O ATOM 1234 NE2 GLN A 78 -7.869 -1.993 -12.055 1.00 -0.87 N ATOM 0 H GLN A 78 -7.365 -2.010 -7.395 1.00 -0.46 H new ATOM 0 HA GLN A 78 -7.940 -3.838 -9.640 1.00 0.04 H new ATOM 0 HB2 GLN A 78 -6.735 -1.529 -9.653 1.00 -0.10 H new ATOM 0 HB3 GLN A 78 -5.377 -2.413 -8.987 1.00 -0.10 H new ATOM 0 HG2 GLN A 78 -5.160 -2.300 -11.416 1.00 -0.10 H new ATOM 0 HG3 GLN A 78 -5.417 -3.965 -10.932 1.00 -0.10 H new ATOM 0 HE21 GLN A 78 -7.643 -1.146 -11.533 1.00 -0.87 H new ATOM 0 HE22 GLN A 78 -8.685 -2.013 -12.666 1.00 -0.87 H new ATOM 1243 N ARG A 79 -7.406 -5.525 -7.587 1.00 -0.46 N ATOM 1244 CA ARG A 79 -6.987 -6.654 -6.775 1.00 0.04 C ATOM 1245 C ARG A 79 -7.031 -7.946 -7.581 1.00 0.62 C ATOM 1246 O ARG A 79 -7.941 -8.153 -8.386 1.00 -0.50 O ATOM 1247 CB ARG A 79 -7.812 -6.708 -5.476 1.00 -0.08 C ATOM 1248 CG ARG A 79 -9.316 -6.986 -5.653 1.00 -0.10 C ATOM 1249 CD ARG A 79 -9.662 -8.478 -5.779 1.00 -0.23 C ATOM 1250 NE ARG A 79 -10.466 -8.741 -6.980 1.00 -0.32 N ATOM 1251 CZ ARG A 79 -11.796 -8.576 -7.093 1.00 0.76 C ATOM 1252 NH1 ARG A 79 -12.542 -8.188 -6.049 1.00 -0.62 N ATOM 1253 NH2 ARG A 79 -12.388 -8.804 -8.273 1.00 -0.62 N ATOM 0 H ARG A 79 -8.418 -5.398 -7.589 1.00 -0.46 H new ATOM 0 HA ARG A 79 -5.947 -6.525 -6.477 1.00 0.04 H new ATOM 0 HB2 ARG A 79 -7.392 -7.480 -4.832 1.00 -0.08 H new ATOM 0 HB3 ARG A 79 -7.696 -5.759 -4.953 1.00 -0.08 H new ATOM 0 HG2 ARG A 79 -9.855 -6.568 -4.803 1.00 -0.10 H new ATOM 0 HG3 ARG A 79 -9.670 -6.464 -6.542 1.00 -0.10 H new ATOM 0 HD2 ARG A 79 -8.744 -9.064 -5.818 1.00 -0.23 H new ATOM 0 HD3 ARG A 79 -10.210 -8.802 -4.894 1.00 -0.23 H new ATOM 0 HE ARG A 79 -9.970 -9.080 -7.804 1.00 -0.32 H new ATOM 0 HH11 ARG A 79 -12.102 -8.011 -5.146 1.00 -0.62 H new ATOM 0 HH12 ARG A 79 -13.549 -8.069 -6.158 1.00 -0.62 H new ATOM 0 HH21 ARG A 79 -11.831 -9.100 -9.074 1.00 -0.62 H new ATOM 0 HH22 ARG A 79 -13.396 -8.682 -8.370 1.00 -0.62 H new ATOM 1267 N HIS A 80 -6.027 -8.802 -7.360 1.00 -0.46 N ATOM 1268 CA HIS A 80 -5.840 -10.054 -8.071 1.00 0.04 C ATOM 1269 C HIS A 80 -5.876 -11.195 -7.050 1.00 0.62 C ATOM 1270 O HIS A 80 -4.927 -11.340 -6.281 1.00 -0.50 O ATOM 1271 CB HIS A 80 -4.507 -10.003 -8.833 1.00 -0.10 C ATOM 1272 CG HIS A 80 -4.373 -11.072 -9.889 1.00 -0.03 C ATOM 1273 ND1 HIS A 80 -4.909 -12.341 -9.846 1.00 -0.15 N ATOM 1274 CD2 HIS A 80 -3.789 -10.917 -11.118 1.00 0.20 C ATOM 1275 CE1 HIS A 80 -4.653 -12.930 -11.025 1.00 0.24 C ATOM 1276 NE2 HIS A 80 -3.968 -12.105 -11.834 1.00 -0.50 N ATOM 0 H HIS A 80 -5.306 -8.630 -6.659 1.00 -0.46 H new ATOM 0 HA HIS A 80 -6.632 -10.221 -8.802 1.00 0.04 H new ATOM 0 HB2 HIS A 80 -4.404 -9.025 -9.303 1.00 -0.10 H new ATOM 0 HB3 HIS A 80 -3.687 -10.102 -8.121 1.00 -0.10 H new ATOM 0 HD1 HIS A 80 -5.409 -12.757 -9.061 1.00 -0.15 H new ATOM 0 HD2 HIS A 80 -3.280 -10.033 -11.472 1.00 0.20 H new ATOM 0 HE1 HIS A 80 -4.957 -13.932 -11.288 1.00 0.24 H new ATOM 1284 N PRO A 81 -6.945 -12.009 -7.012 1.00 -0.23 N ATOM 1285 CA PRO A 81 -7.021 -13.170 -6.141 1.00 0.04 C ATOM 1286 C PRO A 81 -6.204 -14.322 -6.733 1.00 0.53 C ATOM 1287 O PRO A 81 -5.671 -14.212 -7.837 1.00 -0.50 O ATOM 1288 CB PRO A 81 -8.512 -13.503 -6.065 1.00 -0.12 C ATOM 1289 CG PRO A 81 -9.017 -13.102 -7.450 1.00 -0.12 C ATOM 1290 CD PRO A 81 -8.160 -11.886 -7.803 1.00 -0.01 C ATOM 0 HA PRO A 81 -6.609 -12.989 -5.148 1.00 0.04 H new ATOM 0 HB2 PRO A 81 -8.681 -14.561 -5.863 1.00 -0.12 H new ATOM 0 HB3 PRO A 81 -9.012 -12.944 -5.274 1.00 -0.12 H new ATOM 0 HG2 PRO A 81 -8.888 -13.907 -8.173 1.00 -0.12 H new ATOM 0 HG3 PRO A 81 -10.078 -12.854 -7.434 1.00 -0.12 H new ATOM 0 HD2 PRO A 81 -7.932 -11.866 -8.869 1.00 -0.01 H new ATOM 0 HD3 PRO A 81 -8.684 -10.959 -7.572 1.00 -0.01 H new ATOM 1298 N TYR A 82 -6.112 -15.431 -5.990 1.00 -0.46 N ATOM 1299 CA TYR A 82 -5.404 -16.653 -6.364 1.00 0.04 C ATOM 1300 C TYR A 82 -3.889 -16.472 -6.233 1.00 0.62 C ATOM 1301 O TYR A 82 -3.275 -17.101 -5.373 1.00 -0.50 O ATOM 1302 CB TYR A 82 -5.821 -17.178 -7.752 1.00 -0.10 C ATOM 1303 CG TYR A 82 -7.311 -17.129 -8.043 1.00 -0.03 C ATOM 1304 CD1 TYR A 82 -8.224 -17.748 -7.168 1.00 0.00 C ATOM 1305 CD2 TYR A 82 -7.788 -16.439 -9.174 1.00 0.00 C ATOM 1306 CE1 TYR A 82 -9.607 -17.657 -7.410 1.00 -0.26 C ATOM 1307 CE2 TYR A 82 -9.169 -16.358 -9.421 1.00 -0.26 C ATOM 1308 CZ TYR A 82 -10.079 -16.960 -8.537 1.00 0.46 C ATOM 1309 OH TYR A 82 -11.420 -16.862 -8.770 1.00 -0.53 O ATOM 0 H TYR A 82 -6.550 -15.500 -5.071 1.00 -0.46 H new ATOM 0 HA TYR A 82 -5.700 -17.429 -5.658 1.00 0.04 H new ATOM 0 HB2 TYR A 82 -5.299 -16.598 -8.513 1.00 -0.10 H new ATOM 0 HB3 TYR A 82 -5.482 -18.209 -7.849 1.00 -0.10 H new ATOM 0 HD1 TYR A 82 -7.862 -18.294 -6.309 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.091 -15.971 -9.853 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.306 -18.122 -6.731 1.00 -0.26 H new ATOM 0 HE2 TYR A 82 -9.531 -15.832 -10.292 1.00 -0.26 H new ATOM 0 HH TYR A 82 -11.573 -16.347 -9.589 1.00 -0.53 H new ATOM 1319 N LYS A 83 -3.294 -15.615 -7.075 1.00 -0.46 N ATOM 1320 CA LYS A 83 -1.873 -15.291 -7.048 1.00 0.04 C ATOM 1321 C LYS A 83 -1.659 -13.922 -6.386 1.00 0.62 C ATOM 1322 O LYS A 83 -2.426 -12.996 -6.651 1.00 -0.50 O ATOM 1323 CB LYS A 83 -1.274 -15.339 -8.465 1.00 -0.10 C ATOM 1324 CG LYS A 83 -1.999 -14.455 -9.492 1.00 -0.16 C ATOM 1325 CD LYS A 83 -1.195 -14.302 -10.789 1.00 -0.18 C ATOM 1326 CE LYS A 83 -1.007 -15.631 -11.530 1.00 -0.04 C ATOM 1327 NZ LYS A 83 -0.362 -15.430 -12.839 1.00 -0.14 N ATOM 0 H LYS A 83 -3.804 -15.121 -7.807 1.00 -0.46 H new ATOM 0 HA LYS A 83 -1.350 -16.039 -6.452 1.00 0.04 H new ATOM 0 HB2 LYS A 83 -0.229 -15.034 -8.415 1.00 -0.10 H new ATOM 0 HB3 LYS A 83 -1.288 -16.370 -8.817 1.00 -0.10 H new ATOM 0 HG2 LYS A 83 -2.973 -14.888 -9.719 1.00 -0.16 H new ATOM 0 HG3 LYS A 83 -2.180 -13.471 -9.060 1.00 -0.16 H new ATOM 0 HD2 LYS A 83 -1.702 -13.594 -11.444 1.00 -0.18 H new ATOM 0 HD3 LYS A 83 -0.218 -13.878 -10.558 1.00 -0.18 H new ATOM 0 HE2 LYS A 83 -0.401 -16.305 -10.924 1.00 -0.04 H new ATOM 0 HE3 LYS A 83 -1.975 -16.112 -11.670 1.00 -0.04 H new ATOM 0 HZ1 LYS A 83 -0.249 -16.348 -13.315 1.00 -0.14 H new ATOM 0 HZ2 LYS A 83 -0.953 -14.806 -13.425 1.00 -0.14 H new ATOM 0 HZ3 LYS A 83 0.572 -14.994 -12.702 1.00 -0.14 H new ATOM 1341 N PRO A 84 -0.629 -13.766 -5.536 1.00 -0.23 N ATOM 1342 CA PRO A 84 -0.307 -12.499 -4.903 1.00 0.04 C ATOM 1343 C PRO A 84 0.391 -11.578 -5.905 1.00 0.53 C ATOM 1344 O PRO A 84 1.547 -11.807 -6.256 1.00 -0.50 O ATOM 1345 CB PRO A 84 0.597 -12.860 -3.720 1.00 -0.12 C ATOM 1346 CG PRO A 84 1.308 -14.128 -4.188 1.00 -0.12 C ATOM 1347 CD PRO A 84 0.263 -14.816 -5.066 1.00 -0.01 C ATOM 0 HA PRO A 84 -1.190 -11.958 -4.562 1.00 0.04 H new ATOM 0 HB2 PRO A 84 1.305 -12.062 -3.498 1.00 -0.12 H new ATOM 0 HB3 PRO A 84 0.019 -13.036 -2.812 1.00 -0.12 H new ATOM 0 HG2 PRO A 84 2.214 -13.897 -4.748 1.00 -0.12 H new ATOM 0 HG3 PRO A 84 1.604 -14.756 -3.348 1.00 -0.12 H new ATOM 0 HD2 PRO A 84 0.735 -15.329 -5.904 1.00 -0.01 H new ATOM 0 HD3 PRO A 84 -0.286 -15.569 -4.500 1.00 -0.01 H new ATOM 1355 N LYS A 85 -0.316 -10.536 -6.361 1.00 -0.46 N ATOM 1356 CA LYS A 85 0.228 -9.506 -7.234 1.00 0.04 C ATOM 1357 C LYS A 85 -0.211 -8.128 -6.748 1.00 0.62 C ATOM 1358 O LYS A 85 0.616 -7.396 -6.210 1.00 -0.50 O ATOM 1359 CB LYS A 85 -0.175 -9.757 -8.699 1.00 -0.10 C ATOM 1360 CG LYS A 85 0.832 -10.642 -9.449 1.00 -0.16 C ATOM 1361 CD LYS A 85 2.119 -9.870 -9.781 1.00 -0.18 C ATOM 1362 CE LYS A 85 3.100 -10.740 -10.572 1.00 -0.04 C ATOM 1363 NZ LYS A 85 4.345 -10.007 -10.865 1.00 -0.14 N ATOM 0 H LYS A 85 -1.298 -10.389 -6.126 1.00 -0.46 H new ATOM 0 HA LYS A 85 1.317 -9.544 -7.195 1.00 0.04 H new ATOM 0 HB2 LYS A 85 -1.157 -10.229 -8.725 1.00 -0.10 H new ATOM 0 HB3 LYS A 85 -0.267 -8.801 -9.215 1.00 -0.10 H new ATOM 0 HG2 LYS A 85 1.075 -11.514 -8.842 1.00 -0.16 H new ATOM 0 HG3 LYS A 85 0.380 -11.011 -10.369 1.00 -0.16 H new ATOM 0 HD2 LYS A 85 1.873 -8.979 -10.358 1.00 -0.18 H new ATOM 0 HD3 LYS A 85 2.591 -9.532 -8.859 1.00 -0.18 H new ATOM 0 HE2 LYS A 85 3.331 -11.641 -10.004 1.00 -0.04 H new ATOM 0 HE3 LYS A 85 2.636 -11.061 -11.504 1.00 -0.04 H new ATOM 0 HZ1 LYS A 85 4.991 -10.621 -11.402 1.00 -0.14 H new ATOM 0 HZ2 LYS A 85 4.125 -9.160 -11.427 1.00 -0.14 H new ATOM 0 HZ3 LYS A 85 4.798 -9.723 -9.973 1.00 -0.14 H new ATOM 1377 N LEU A 86 -1.487 -7.771 -6.971 1.00 -0.46 N ATOM 1378 CA LEU A 86 -2.058 -6.457 -6.669 1.00 0.04 C ATOM 1379 C LEU A 86 -1.388 -5.360 -7.515 1.00 0.62 C ATOM 1380 O LEU A 86 -0.308 -5.565 -8.068 1.00 -0.50 O ATOM 1381 CB LEU A 86 -1.984 -6.202 -5.151 1.00 -0.06 C ATOM 1382 CG LEU A 86 -2.766 -5.005 -4.584 1.00 -0.01 C ATOM 1383 CD1 LEU A 86 -4.249 -5.030 -4.952 1.00 -0.11 C ATOM 1384 CD2 LEU A 86 -2.666 -5.046 -3.055 1.00 -0.11 C ATOM 0 H LEU A 86 -2.167 -8.412 -7.379 1.00 -0.46 H new ATOM 0 HA LEU A 86 -3.112 -6.434 -6.945 1.00 0.04 H new ATOM 0 HB2 LEU A 86 -2.334 -7.101 -4.643 1.00 -0.06 H new ATOM 0 HB3 LEU A 86 -0.935 -6.073 -4.884 1.00 -0.06 H new ATOM 0 HG LEU A 86 -2.330 -4.102 -5.011 1.00 -0.01 H new ATOM 0 HD11 LEU A 86 -4.745 -4.160 -4.523 1.00 -0.11 H new ATOM 0 HD12 LEU A 86 -4.355 -5.010 -6.037 1.00 -0.11 H new ATOM 0 HD13 LEU A 86 -4.706 -5.938 -4.560 1.00 -0.11 H new ATOM 0 HD21 LEU A 86 -3.215 -4.205 -2.632 1.00 -0.11 H new ATOM 0 HD22 LEU A 86 -3.093 -5.979 -2.687 1.00 -0.11 H new ATOM 0 HD23 LEU A 86 -1.619 -4.984 -2.757 1.00 -0.11 H new ATOM 1396 N GLN A 87 -2.045 -4.204 -7.665 1.00 -0.46 N ATOM 1397 CA GLN A 87 -1.544 -3.094 -8.470 1.00 0.04 C ATOM 1398 C GLN A 87 -1.766 -1.776 -7.729 1.00 0.62 C ATOM 1399 O GLN A 87 -0.803 -1.084 -7.405 1.00 -0.50 O ATOM 1400 CB GLN A 87 -2.241 -3.075 -9.840 1.00 -0.10 C ATOM 1401 CG GLN A 87 -1.837 -4.226 -10.773 1.00 -0.10 C ATOM 1402 CD GLN A 87 -0.423 -4.061 -11.327 1.00 0.68 C ATOM 1403 OE1 GLN A 87 -0.236 -3.444 -12.373 1.00 -0.47 O ATOM 1404 NE2 GLN A 87 0.578 -4.619 -10.645 1.00 -0.87 N ATOM 0 H GLN A 87 -2.946 -4.015 -7.226 1.00 -0.46 H new ATOM 0 HA GLN A 87 -0.474 -3.224 -8.635 1.00 0.04 H new ATOM 0 HB2 GLN A 87 -3.319 -3.110 -9.686 1.00 -0.10 H new ATOM 0 HB3 GLN A 87 -2.020 -2.129 -10.334 1.00 -0.10 H new ATOM 0 HG2 GLN A 87 -1.904 -5.169 -10.231 1.00 -0.10 H new ATOM 0 HG3 GLN A 87 -2.544 -4.284 -11.601 1.00 -0.10 H new ATOM 0 HE21 GLN A 87 0.386 -5.124 -9.780 1.00 -0.87 H new ATOM 0 HE22 GLN A 87 1.535 -4.541 -10.989 1.00 -0.87 H new ATOM 1413 N HIS A 88 -3.033 -1.420 -7.487 1.00 -0.46 N ATOM 1414 CA HIS A 88 -3.411 -0.128 -6.937 1.00 0.04 C ATOM 1415 C HIS A 88 -4.788 -0.221 -6.281 1.00 0.62 C ATOM 1416 O HIS A 88 -5.605 -1.062 -6.658 1.00 -0.50 O ATOM 1417 CB HIS A 88 -3.411 0.921 -8.057 1.00 -0.10 C ATOM 1418 CG HIS A 88 -3.718 2.311 -7.564 1.00 -0.03 C ATOM 1419 ND1 HIS A 88 -4.945 2.934 -7.602 1.00 -0.15 N ATOM 1420 CD2 HIS A 88 -2.851 3.135 -6.898 1.00 0.20 C ATOM 1421 CE1 HIS A 88 -4.811 4.117 -6.979 1.00 0.24 C ATOM 1422 NE2 HIS A 88 -3.556 4.283 -6.531 1.00 -0.50 N ATOM 0 H HIS A 88 -3.827 -2.032 -7.672 1.00 -0.46 H new ATOM 0 HA HIS A 88 -2.691 0.170 -6.175 1.00 0.04 H new ATOM 0 HB2 HIS A 88 -2.437 0.922 -8.546 1.00 -0.10 H new ATOM 0 HB3 HIS A 88 -4.146 0.639 -8.811 1.00 -0.10 H new ATOM 0 HD1 HIS A 88 -5.797 2.566 -8.024 1.00 -0.15 H new ATOM 0 HD2 HIS A 88 -1.810 2.933 -6.693 1.00 0.20 H new ATOM 0 HE1 HIS A 88 -5.606 4.838 -6.855 1.00 0.24 H new ATOM 1430 N ILE A 89 -5.032 0.662 -5.305 1.00 -0.46 N ATOM 1431 CA ILE A 89 -6.308 0.820 -4.628 1.00 0.04 C ATOM 1432 C ILE A 89 -6.665 2.311 -4.626 1.00 0.62 C ATOM 1433 O ILE A 89 -5.981 3.115 -3.991 1.00 -0.50 O ATOM 1434 CB ILE A 89 -6.225 0.251 -3.199 1.00 -0.01 C ATOM 1435 CG1 ILE A 89 -5.867 -1.247 -3.137 1.00 -0.05 C ATOM 1436 CG2 ILE A 89 -7.548 0.505 -2.469 1.00 -0.09 C ATOM 1437 CD1 ILE A 89 -6.962 -2.181 -3.663 1.00 -0.09 C ATOM 0 H ILE A 89 -4.318 1.303 -4.960 1.00 -0.46 H new ATOM 0 HA ILE A 89 -7.091 0.266 -5.147 1.00 0.04 H new ATOM 0 HB ILE A 89 -5.405 0.774 -2.707 1.00 -0.01 H new ATOM 0 HG12 ILE A 89 -4.956 -1.415 -3.712 1.00 -0.05 H new ATOM 0 HG13 ILE A 89 -5.645 -1.513 -2.103 1.00 -0.05 H new ATOM 0 HG21 ILE A 89 -7.489 0.102 -1.458 1.00 -0.09 H new ATOM 0 HG22 ILE A 89 -7.738 1.577 -2.422 1.00 -0.09 H new ATOM 0 HG23 ILE A 89 -8.360 0.016 -3.007 1.00 -0.09 H new ATOM 0 HD11 ILE A 89 -6.627 -3.215 -3.583 1.00 -0.09 H new ATOM 0 HD12 ILE A 89 -7.869 -2.046 -3.074 1.00 -0.09 H new ATOM 0 HD13 ILE A 89 -7.169 -1.947 -4.707 1.00 -0.09 H new ATOM 1449 N ASP A 90 -7.741 2.664 -5.338 1.00 -0.46 N ATOM 1450 CA ASP A 90 -8.320 3.998 -5.401 1.00 0.04 C ATOM 1451 C ASP A 90 -9.497 4.079 -4.425 1.00 0.62 C ATOM 1452 O ASP A 90 -10.659 3.996 -4.817 1.00 -0.50 O ATOM 1453 CB ASP A 90 -8.721 4.327 -6.852 1.00 -0.40 C ATOM 1454 CG ASP A 90 -9.787 3.408 -7.452 1.00 0.71 C ATOM 1455 OD1 ASP A 90 -9.785 2.208 -7.103 1.00 -0.72 O ATOM 1456 OD2 ASP A 90 -10.597 3.929 -8.250 1.00 -0.72 O ATOM 0 H ASP A 90 -8.251 1.991 -5.910 1.00 -0.46 H new ATOM 0 HA ASP A 90 -7.590 4.749 -5.099 1.00 0.04 H new ATOM 0 HB2 ASP A 90 -9.085 5.354 -6.889 1.00 -0.40 H new ATOM 0 HB3 ASP A 90 -7.830 4.283 -7.478 1.00 -0.40 H new ATOM 1461 N PHE A 91 -9.201 4.233 -3.129 1.00 -0.46 N ATOM 1462 CA PHE A 91 -10.232 4.282 -2.102 1.00 0.04 C ATOM 1463 C PHE A 91 -11.168 5.476 -2.308 1.00 0.62 C ATOM 1464 O PHE A 91 -10.727 6.521 -2.774 1.00 -0.50 O ATOM 1465 CB PHE A 91 -9.609 4.336 -0.708 1.00 -0.10 C ATOM 1466 CG PHE A 91 -8.892 3.077 -0.265 1.00 -0.10 C ATOM 1467 CD1 PHE A 91 -9.644 1.943 0.095 1.00 -0.15 C ATOM 1468 CD2 PHE A 91 -7.505 3.100 -0.024 1.00 -0.15 C ATOM 1469 CE1 PHE A 91 -9.025 0.859 0.739 1.00 -0.15 C ATOM 1470 CE2 PHE A 91 -6.881 2.005 0.602 1.00 -0.15 C ATOM 1471 CZ PHE A 91 -7.643 0.892 0.997 1.00 -0.15 C ATOM 0 H PHE A 91 -8.250 4.326 -2.772 1.00 -0.46 H new ATOM 0 HA PHE A 91 -10.821 3.369 -2.187 1.00 0.04 H new ATOM 0 HB2 PHE A 91 -8.903 5.166 -0.677 1.00 -0.10 H new ATOM 0 HB3 PHE A 91 -10.395 4.559 0.014 1.00 -0.10 H new ATOM 0 HD1 PHE A 91 -10.701 1.906 -0.125 1.00 -0.15 H new ATOM 0 HD2 PHE A 91 -6.920 3.958 -0.320 1.00 -0.15 H new ATOM 0 HE1 PHE A 91 -9.610 0.001 1.036 1.00 -0.15 H new ATOM 0 HE2 PHE A 91 -5.816 2.020 0.779 1.00 -0.15 H new ATOM 0 HZ PHE A 91 -7.167 0.062 1.499 1.00 -0.15 H new ATOM 1481 N VAL A 92 -12.448 5.322 -1.945 1.00 -0.46 N ATOM 1482 CA VAL A 92 -13.444 6.389 -1.948 1.00 0.04 C ATOM 1483 C VAL A 92 -14.088 6.439 -0.565 1.00 0.62 C ATOM 1484 O VAL A 92 -14.598 5.425 -0.087 1.00 -0.50 O ATOM 1485 CB VAL A 92 -14.482 6.156 -3.061 1.00 -0.01 C ATOM 1486 CG1 VAL A 92 -15.739 7.018 -2.875 1.00 -0.09 C ATOM 1487 CG2 VAL A 92 -13.877 6.504 -4.426 1.00 -0.09 C ATOM 0 H VAL A 92 -12.824 4.426 -1.634 1.00 -0.46 H new ATOM 0 HA VAL A 92 -12.976 7.351 -2.158 1.00 0.04 H new ATOM 0 HB VAL A 92 -14.762 5.104 -3.009 1.00 -0.01 H new ATOM 0 HG11 VAL A 92 -16.441 6.818 -3.685 1.00 -0.09 H new ATOM 0 HG12 VAL A 92 -16.208 6.777 -1.921 1.00 -0.09 H new ATOM 0 HG13 VAL A 92 -15.462 8.072 -2.887 1.00 -0.09 H new ATOM 0 HG21 VAL A 92 -14.619 6.336 -5.206 1.00 -0.09 H new ATOM 0 HG22 VAL A 92 -13.574 7.551 -4.433 1.00 -0.09 H new ATOM 0 HG23 VAL A 92 -13.007 5.873 -4.610 1.00 -0.09 H new ATOM 1497 N ARG A 93 -14.066 7.622 0.066 1.00 -0.46 N ATOM 1498 CA ARG A 93 -14.659 7.871 1.375 1.00 0.04 C ATOM 1499 C ARG A 93 -16.152 7.536 1.378 1.00 0.62 C ATOM 1500 O ARG A 93 -16.875 7.886 0.447 1.00 -0.50 O ATOM 1501 CB ARG A 93 -14.435 9.326 1.797 1.00 -0.08 C ATOM 1502 CG ARG A 93 -12.947 9.616 2.040 1.00 -0.10 C ATOM 1503 CD ARG A 93 -12.757 11.090 2.397 1.00 -0.23 C ATOM 1504 NE ARG A 93 -11.335 11.458 2.404 1.00 -0.32 N ATOM 1505 CZ ARG A 93 -10.869 12.696 2.159 1.00 0.76 C ATOM 1506 NH1 ARG A 93 -11.714 13.730 2.049 1.00 -0.62 N ATOM 1507 NH2 ARG A 93 -9.555 12.902 2.012 1.00 -0.62 N ATOM 0 H ARG A 93 -13.623 8.448 -0.335 1.00 -0.46 H new ATOM 0 HA ARG A 93 -14.167 7.219 2.097 1.00 0.04 H new ATOM 0 HB2 ARG A 93 -14.816 9.993 1.024 1.00 -0.08 H new ATOM 0 HB3 ARG A 93 -15.001 9.534 2.705 1.00 -0.08 H new ATOM 0 HG2 ARG A 93 -12.572 8.986 2.846 1.00 -0.10 H new ATOM 0 HG3 ARG A 93 -12.369 9.371 1.149 1.00 -0.10 H new ATOM 0 HD2 ARG A 93 -13.292 11.712 1.680 1.00 -0.23 H new ATOM 0 HD3 ARG A 93 -13.191 11.288 3.377 1.00 -0.23 H new ATOM 0 HE ARG A 93 -10.655 10.726 2.608 1.00 -0.32 H new ATOM 0 HH11 ARG A 93 -12.718 13.581 2.151 1.00 -0.62 H new ATOM 0 HH12 ARG A 93 -11.353 14.666 1.863 1.00 -0.62 H new ATOM 0 HH21 ARG A 93 -8.905 12.120 2.086 1.00 -0.62 H new ATOM 0 HH22 ARG A 93 -9.204 13.841 1.826 1.00 -0.62 H new ATOM 1521 N ALA A 94 -16.604 6.857 2.439 1.00 -0.46 N ATOM 1522 CA ALA A 94 -17.993 6.463 2.612 1.00 0.04 C ATOM 1523 C ALA A 94 -18.827 7.648 3.099 1.00 0.62 C ATOM 1524 O ALA A 94 -18.326 8.538 3.784 1.00 -0.50 O ATOM 1525 CB ALA A 94 -18.076 5.294 3.593 1.00 -0.10 C ATOM 0 H ALA A 94 -16.001 6.565 3.208 1.00 -0.46 H new ATOM 0 HA ALA A 94 -18.398 6.142 1.652 1.00 0.04 H new ATOM 0 HB1 ALA A 94 -19.118 5.000 3.721 1.00 -0.10 H new ATOM 0 HB2 ALA A 94 -17.506 4.451 3.203 1.00 -0.10 H new ATOM 0 HB3 ALA A 94 -17.663 5.597 4.555 1.00 -0.10 H new TER 1531 ALA A 94