USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 693 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 28 TYR OH : rot 180:sc= 0.687 USER MOD Set 1.2: A 32 LYS NZ :NH3+ -132:sc= 1.86 (180deg=1.19) USER MOD Set 2.1: A 29 SER OG : rot -98:sc= -0.446 USER MOD Set 2.2: A 30 HIS : no HD1:sc= -5.09 K(o=-5.5,f=-7.3!) USER MOD Single : A 1 SER N :NH3+ 140:sc= 0.65 (180deg=0.146) USER MOD Single : A 1 SER OG : rot 180:sc= 0.196 USER MOD Single : A 2 GLN : amide:sc= -0.644! K(o=-0.64!,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -129:sc= 1.08 (180deg=-0.222) USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= -0.0173 (180deg=-0.733) USER MOD Single : A 14 HIS : no HE2:sc= -0.347 K(o=-0.35,f=-6.1!) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0482) USER MOD Single : A 17 THR OG1 : rot 122:sc= 1.2 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -152:sc= -0.924 (180deg=-2.8!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -5.17! C(o=-5.2!,f=-9!) USER MOD Single : A 35 THR OG1 : rot -77:sc= 0.944 USER MOD Single : A 40 ASN : amide:sc= 0.224 K(o=0.22,f=-4.6!) USER MOD Single : A 41 THR OG1 : rot 120:sc= 1.81 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= 0.166 (180deg=0.084) USER MOD Single : A 54 LYS NZ :NH3+ -133:sc= 1.26 (180deg=-0.529) USER MOD Single : A 59 ASN : amide:sc=-0.00525 X(o=-0.0053,f=-0.022) USER MOD Single : A 62 LYS NZ :NH3+ -119:sc= -1.35 (180deg=-5.02!) USER MOD Single : A 64 THR OG1 : rot 60:sc= 0.969 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 143:sc= -1.22 (180deg=-3.6!) USER MOD Single : A 70 MET CE :methyl 173:sc= -0.747 (180deg=-1.03) USER MOD Single : A 71 LYS NZ :NH3+ -104:sc= -0.552! (180deg=-2.16!) USER MOD Single : A 73 TYR OH : rot -140:sc= -1.7! USER MOD Single : A 76 LYS NZ :NH3+ -130:sc= -1.31 (180deg=-2.18!) USER MOD Single : A 81 LYS NZ :NH3+ -122:sc= -0.441 (180deg=-3.67!) USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= -2.01! (180deg=-2.89!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.758 3.632 6.868 1.00 8.09 N ATOM 2 CA SER A 1 5.458 4.314 7.198 1.00 6.24 C ATOM 3 C SER A 1 5.806 5.703 7.794 1.00 4.22 C ATOM 4 O SER A 1 6.975 5.907 8.043 1.00 4.98 O ATOM 5 CB SER A 1 4.718 3.414 8.213 1.00 7.81 C ATOM 6 OG SER A 1 4.901 2.127 7.615 1.00 9.24 O ATOM 0 H1 SER A 1 6.695 2.625 7.118 1.00 8.09 H new ATOM 0 H2 SER A 1 6.950 3.724 5.850 1.00 8.09 H new ATOM 0 H3 SER A 1 7.529 4.075 7.407 1.00 8.09 H new ATOM 0 HA SER A 1 4.815 4.462 6.331 1.00 6.24 H new ATOM 0 HB2 SER A 1 5.154 3.472 9.211 1.00 7.81 H new ATOM 0 HB3 SER A 1 3.665 3.679 8.309 1.00 7.81 H new ATOM 0 HG SER A 1 4.471 1.444 8.171 1.00 9.24 H new ATOM 14 N GLN A 2 4.863 6.602 7.990 1.00 2.56 N ATOM 15 CA GLN A 2 5.229 7.953 8.574 1.00 1.03 C ATOM 16 C GLN A 2 4.443 8.359 9.836 1.00 0.80 C ATOM 17 O GLN A 2 4.593 9.448 10.353 1.00 0.80 O ATOM 18 CB GLN A 2 5.014 9.022 7.484 1.00 1.45 C ATOM 19 CG GLN A 2 3.493 9.263 7.253 1.00 4.29 C ATOM 20 CD GLN A 2 3.312 10.371 6.229 1.00 6.03 C ATOM 21 OE1 GLN A 2 3.612 10.220 5.063 1.00 7.54 O ATOM 22 NE2 GLN A 2 2.837 11.520 6.579 1.00 6.08 N ATOM 0 H GLN A 2 3.874 6.470 7.778 1.00 2.56 H new ATOM 0 HA GLN A 2 6.268 7.876 8.893 1.00 1.03 H new ATOM 0 HB2 GLN A 2 5.496 9.954 7.780 1.00 1.45 H new ATOM 0 HB3 GLN A 2 5.483 8.702 6.554 1.00 1.45 H new ATOM 0 HG2 GLN A 2 3.017 8.347 6.903 1.00 4.29 H new ATOM 0 HG3 GLN A 2 3.009 9.536 8.191 1.00 4.29 H new ATOM 0 HE21 GLN A 2 2.572 11.688 7.550 1.00 6.08 H new ATOM 0 HE22 GLN A 2 2.726 12.259 5.885 1.00 6.08 H new ATOM 31 N ALA A 3 3.615 7.464 10.297 1.00 0.87 N ATOM 32 CA ALA A 3 2.804 7.758 11.511 1.00 1.08 C ATOM 33 C ALA A 3 3.713 8.271 12.640 1.00 0.82 C ATOM 34 O ALA A 3 3.407 9.262 13.270 1.00 0.83 O ATOM 35 CB ALA A 3 2.076 6.456 11.881 1.00 1.34 C ATOM 0 H ALA A 3 3.465 6.543 9.886 1.00 0.87 H new ATOM 0 HA ALA A 3 2.071 8.545 11.334 1.00 1.08 H new ATOM 0 HB1 ALA A 3 1.465 6.620 12.769 1.00 1.34 H new ATOM 0 HB2 ALA A 3 1.437 6.148 11.053 1.00 1.34 H new ATOM 0 HB3 ALA A 3 2.808 5.675 12.084 1.00 1.34 H new ATOM 41 N GLU A 4 4.815 7.594 12.849 1.00 0.65 N ATOM 42 CA GLU A 4 5.738 8.028 13.923 1.00 0.58 C ATOM 43 C GLU A 4 6.213 9.462 13.722 1.00 0.42 C ATOM 44 O GLU A 4 6.410 10.188 14.675 1.00 0.37 O ATOM 45 CB GLU A 4 6.910 6.993 13.965 1.00 0.72 C ATOM 46 CG GLU A 4 7.918 6.933 12.739 1.00 1.70 C ATOM 47 CD GLU A 4 7.327 7.004 11.331 1.00 3.27 C ATOM 48 OE1 GLU A 4 6.423 6.225 11.065 1.00 4.81 O ATOM 49 OE2 GLU A 4 7.841 7.846 10.613 1.00 3.84 O ATOM 0 H GLU A 4 5.107 6.769 12.325 1.00 0.65 H new ATOM 0 HA GLU A 4 5.230 8.044 14.887 1.00 0.58 H new ATOM 0 HB2 GLU A 4 7.494 7.191 14.864 1.00 0.72 H new ATOM 0 HB3 GLU A 4 6.472 6.002 14.082 1.00 0.72 H new ATOM 0 HG2 GLU A 4 8.627 7.754 12.847 1.00 1.70 H new ATOM 0 HG3 GLU A 4 8.488 6.007 12.818 1.00 1.70 H new ATOM 56 N PHE A 5 6.366 9.840 12.490 1.00 0.34 N ATOM 57 CA PHE A 5 6.833 11.232 12.163 1.00 0.20 C ATOM 58 C PHE A 5 5.666 12.197 12.337 1.00 0.29 C ATOM 59 O PHE A 5 5.834 13.196 13.000 1.00 0.25 O ATOM 60 CB PHE A 5 7.341 11.259 10.732 1.00 0.24 C ATOM 61 CG PHE A 5 7.552 12.712 10.264 1.00 0.22 C ATOM 62 CD1 PHE A 5 6.486 13.379 9.707 1.00 0.21 C ATOM 63 CD2 PHE A 5 8.762 13.372 10.384 1.00 0.25 C ATOM 64 CE1 PHE A 5 6.604 14.674 9.275 1.00 0.22 C ATOM 65 CE2 PHE A 5 8.885 14.682 9.947 1.00 0.32 C ATOM 66 CZ PHE A 5 7.800 15.328 9.391 1.00 0.30 C ATOM 0 H PHE A 5 6.189 9.247 11.679 1.00 0.34 H new ATOM 0 HA PHE A 5 7.642 11.531 12.829 1.00 0.20 H new ATOM 0 HB2 PHE A 5 8.279 10.708 10.662 1.00 0.24 H new ATOM 0 HB3 PHE A 5 6.628 10.759 10.077 1.00 0.24 H new ATOM 0 HD1 PHE A 5 5.537 12.872 9.608 1.00 0.21 H new ATOM 0 HD2 PHE A 5 9.612 12.866 10.819 1.00 0.25 H new ATOM 0 HE1 PHE A 5 5.753 15.179 8.843 1.00 0.22 H new ATOM 0 HE2 PHE A 5 9.830 15.197 10.042 1.00 0.32 H new ATOM 0 HZ PHE A 5 7.895 16.348 9.048 1.00 0.30 H new ATOM 76 N ASP A 6 4.533 11.910 11.745 1.00 0.43 N ATOM 77 CA ASP A 6 3.349 12.797 11.886 1.00 0.54 C ATOM 78 C ASP A 6 3.181 12.999 13.388 1.00 0.56 C ATOM 79 O ASP A 6 3.108 14.097 13.898 1.00 0.61 O ATOM 80 CB ASP A 6 2.223 12.044 11.227 1.00 0.60 C ATOM 81 CG ASP A 6 2.396 11.947 9.729 1.00 0.58 C ATOM 82 OD1 ASP A 6 3.247 12.596 9.153 1.00 1.70 O ATOM 83 OD2 ASP A 6 1.615 11.185 9.198 1.00 1.64 O ATOM 0 H ASP A 6 4.382 11.086 11.163 1.00 0.43 H new ATOM 0 HA ASP A 6 3.411 13.782 11.424 1.00 0.54 H new ATOM 0 HB2 ASP A 6 2.164 11.041 11.649 1.00 0.60 H new ATOM 0 HB3 ASP A 6 1.278 12.540 11.450 1.00 0.60 H new ATOM 88 N LYS A 7 3.130 11.878 14.056 1.00 0.60 N ATOM 89 CA LYS A 7 2.988 11.889 15.527 1.00 0.63 C ATOM 90 C LYS A 7 4.074 12.853 16.027 1.00 0.55 C ATOM 91 O LYS A 7 3.746 13.775 16.741 1.00 0.62 O ATOM 92 CB LYS A 7 3.231 10.475 16.108 1.00 0.62 C ATOM 93 CG LYS A 7 2.929 10.495 17.635 1.00 0.62 C ATOM 94 CD LYS A 7 1.370 10.434 17.839 1.00 2.89 C ATOM 95 CE LYS A 7 0.947 10.830 19.258 1.00 4.04 C ATOM 96 NZ LYS A 7 1.630 9.953 20.270 1.00 4.98 N ATOM 0 H LYS A 7 3.182 10.950 13.635 1.00 0.60 H new ATOM 0 HA LYS A 7 1.988 12.195 15.834 1.00 0.63 H new ATOM 0 HB2 LYS A 7 2.592 9.748 15.607 1.00 0.62 H new ATOM 0 HB3 LYS A 7 4.262 10.168 15.932 1.00 0.62 H new ATOM 0 HG2 LYS A 7 3.408 9.648 18.127 1.00 0.62 H new ATOM 0 HG3 LYS A 7 3.335 11.399 18.089 1.00 0.62 H new ATOM 0 HD2 LYS A 7 0.887 11.097 17.121 1.00 2.89 H new ATOM 0 HD3 LYS A 7 1.018 9.424 17.627 1.00 2.89 H new ATOM 0 HE2 LYS A 7 1.200 11.874 19.442 1.00 4.04 H new ATOM 0 HE3 LYS A 7 -0.135 10.741 19.361 1.00 4.04 H new ATOM 0 HZ1 LYS A 7 0.922 9.561 20.924 1.00 4.98 H new ATOM 0 HZ2 LYS A 7 2.119 9.176 19.782 1.00 4.98 H new ATOM 0 HZ3 LYS A 7 2.322 10.515 20.806 1.00 4.98 H new ATOM 110 N ALA A 8 5.324 12.666 15.658 1.00 0.41 N ATOM 111 CA ALA A 8 6.352 13.630 16.174 1.00 0.34 C ATOM 112 C ALA A 8 5.984 15.105 15.867 1.00 0.33 C ATOM 113 O ALA A 8 5.988 15.966 16.716 1.00 0.37 O ATOM 114 CB ALA A 8 7.732 13.225 15.541 1.00 0.18 C ATOM 0 H ALA A 8 5.666 11.922 15.049 1.00 0.41 H new ATOM 0 HA ALA A 8 6.403 13.571 17.261 1.00 0.34 H new ATOM 0 HB1 ALA A 8 8.508 13.905 15.893 1.00 0.18 H new ATOM 0 HB2 ALA A 8 7.982 12.206 15.835 1.00 0.18 H new ATOM 0 HB3 ALA A 8 7.665 13.283 14.455 1.00 0.18 H new ATOM 120 N ALA A 9 5.659 15.346 14.642 1.00 0.34 N ATOM 121 CA ALA A 9 5.279 16.717 14.158 1.00 0.38 C ATOM 122 C ALA A 9 4.159 17.326 14.995 1.00 0.42 C ATOM 123 O ALA A 9 4.227 18.454 15.455 1.00 0.44 O ATOM 124 CB ALA A 9 4.847 16.609 12.693 1.00 0.43 C ATOM 0 H ALA A 9 5.636 14.630 13.916 1.00 0.34 H new ATOM 0 HA ALA A 9 6.142 17.376 14.255 1.00 0.38 H new ATOM 0 HB1 ALA A 9 4.567 17.595 12.323 1.00 0.43 H new ATOM 0 HB2 ALA A 9 5.673 16.219 12.098 1.00 0.43 H new ATOM 0 HB3 ALA A 9 3.993 15.936 12.614 1.00 0.43 H new ATOM 130 N GLU A 10 3.179 16.506 15.196 1.00 0.42 N ATOM 131 CA GLU A 10 1.981 16.883 15.970 1.00 0.39 C ATOM 132 C GLU A 10 2.384 17.102 17.430 1.00 0.38 C ATOM 133 O GLU A 10 1.977 18.085 18.017 1.00 0.43 O ATOM 134 CB GLU A 10 1.008 15.735 15.778 1.00 0.50 C ATOM 135 CG GLU A 10 -0.261 15.950 16.620 1.00 0.62 C ATOM 136 CD GLU A 10 -1.208 14.775 16.375 1.00 0.83 C ATOM 137 OE1 GLU A 10 -0.930 13.734 16.954 1.00 2.34 O ATOM 138 OE2 GLU A 10 -2.138 15.000 15.626 1.00 2.43 O ATOM 0 H GLU A 10 3.161 15.550 14.840 1.00 0.42 H new ATOM 0 HA GLU A 10 1.516 17.814 15.646 1.00 0.39 H new ATOM 0 HB2 GLU A 10 0.741 15.650 14.725 1.00 0.50 H new ATOM 0 HB3 GLU A 10 1.484 14.797 16.062 1.00 0.50 H new ATOM 0 HG2 GLU A 10 -0.007 16.018 17.678 1.00 0.62 H new ATOM 0 HG3 GLU A 10 -0.743 16.889 16.347 1.00 0.62 H new ATOM 145 N GLU A 11 3.180 16.206 17.968 1.00 0.34 N ATOM 146 CA GLU A 11 3.631 16.309 19.375 1.00 0.30 C ATOM 147 C GLU A 11 4.539 17.538 19.587 1.00 0.25 C ATOM 148 O GLU A 11 4.340 18.252 20.550 1.00 0.39 O ATOM 149 CB GLU A 11 4.378 15.005 19.724 1.00 0.25 C ATOM 150 CG GLU A 11 3.398 13.782 19.925 1.00 0.36 C ATOM 151 CD GLU A 11 3.984 12.671 20.814 1.00 0.42 C ATOM 152 OE1 GLU A 11 5.186 12.500 20.874 1.00 1.49 O ATOM 153 OE2 GLU A 11 3.198 11.982 21.450 1.00 2.45 O ATOM 0 H GLU A 11 3.539 15.392 17.470 1.00 0.34 H new ATOM 0 HA GLU A 11 2.771 16.441 20.031 1.00 0.30 H new ATOM 0 HB2 GLU A 11 5.086 14.772 18.929 1.00 0.25 H new ATOM 0 HB3 GLU A 11 4.958 15.155 20.634 1.00 0.25 H new ATOM 0 HG2 GLU A 11 2.468 14.139 20.368 1.00 0.36 H new ATOM 0 HG3 GLU A 11 3.146 13.363 18.951 1.00 0.36 H new ATOM 160 N VAL A 12 5.503 17.767 18.722 1.00 0.27 N ATOM 161 CA VAL A 12 6.417 18.955 18.875 1.00 0.27 C ATOM 162 C VAL A 12 5.524 20.173 18.869 1.00 0.26 C ATOM 163 O VAL A 12 5.609 21.008 19.748 1.00 0.17 O ATOM 164 CB VAL A 12 7.459 19.006 17.698 1.00 0.37 C ATOM 165 CG1 VAL A 12 7.035 19.731 16.414 1.00 0.42 C ATOM 166 CG2 VAL A 12 8.726 19.711 18.212 1.00 0.35 C ATOM 0 H VAL A 12 5.699 17.180 17.911 1.00 0.27 H new ATOM 0 HA VAL A 12 6.995 18.901 19.797 1.00 0.27 H new ATOM 0 HB VAL A 12 7.593 17.963 17.413 1.00 0.37 H new ATOM 0 HG11 VAL A 12 7.847 19.690 15.688 1.00 0.42 H new ATOM 0 HG12 VAL A 12 6.151 19.247 15.998 1.00 0.42 H new ATOM 0 HG13 VAL A 12 6.805 20.772 16.643 1.00 0.42 H new ATOM 0 HG21 VAL A 12 9.465 19.759 17.413 1.00 0.35 H new ATOM 0 HG22 VAL A 12 8.475 20.721 18.535 1.00 0.35 H new ATOM 0 HG23 VAL A 12 9.137 19.153 19.053 1.00 0.35 H new ATOM 176 N LYS A 13 4.670 20.245 17.878 1.00 0.35 N ATOM 177 CA LYS A 13 3.721 21.415 17.787 1.00 0.40 C ATOM 178 C LYS A 13 2.802 21.508 19.042 1.00 0.42 C ATOM 179 O LYS A 13 2.019 22.424 19.183 1.00 0.40 O ATOM 180 CB LYS A 13 2.892 21.219 16.503 1.00 0.63 C ATOM 181 CG LYS A 13 3.860 21.291 15.324 1.00 2.91 C ATOM 182 CD LYS A 13 3.150 20.816 14.035 1.00 3.71 C ATOM 183 CE LYS A 13 4.222 20.616 12.983 1.00 6.31 C ATOM 184 NZ LYS A 13 4.856 21.955 12.739 1.00 7.77 N ATOM 0 H LYS A 13 4.583 19.555 17.132 1.00 0.35 H new ATOM 0 HA LYS A 13 4.276 22.352 17.751 1.00 0.40 H new ATOM 0 HB2 LYS A 13 2.378 20.258 16.520 1.00 0.63 H new ATOM 0 HB3 LYS A 13 2.125 21.989 16.419 1.00 0.63 H new ATOM 0 HG2 LYS A 13 4.218 22.313 15.198 1.00 2.91 H new ATOM 0 HG3 LYS A 13 4.733 20.669 15.520 1.00 2.91 H new ATOM 0 HD2 LYS A 13 2.608 19.887 14.214 1.00 3.71 H new ATOM 0 HD3 LYS A 13 2.419 21.553 13.704 1.00 3.71 H new ATOM 0 HE2 LYS A 13 4.965 19.894 13.322 1.00 6.31 H new ATOM 0 HE3 LYS A 13 3.790 20.221 12.063 1.00 6.31 H new ATOM 0 HZ1 LYS A 13 5.326 21.953 11.811 1.00 7.77 H new ATOM 0 HZ2 LYS A 13 4.124 22.694 12.755 1.00 7.77 H new ATOM 0 HZ3 LYS A 13 5.558 22.147 13.482 1.00 7.77 H new ATOM 198 N HIS A 14 2.952 20.542 19.910 1.00 0.51 N ATOM 199 CA HIS A 14 2.172 20.446 21.180 1.00 0.57 C ATOM 200 C HIS A 14 3.133 20.346 22.402 1.00 0.44 C ATOM 201 O HIS A 14 2.714 20.008 23.489 1.00 0.44 O ATOM 202 CB HIS A 14 1.221 19.190 20.984 1.00 0.91 C ATOM 203 CG HIS A 14 1.308 18.113 22.074 1.00 2.63 C ATOM 204 ND1 HIS A 14 2.396 17.509 22.399 1.00 4.18 N ATOM 205 CD2 HIS A 14 0.349 17.559 22.899 1.00 3.99 C ATOM 206 CE1 HIS A 14 2.163 16.646 23.341 1.00 6.25 C ATOM 207 NE2 HIS A 14 0.897 16.647 23.680 1.00 6.14 N ATOM 0 H HIS A 14 3.617 19.779 19.782 1.00 0.51 H new ATOM 0 HA HIS A 14 1.569 21.329 21.391 1.00 0.57 H new ATOM 0 HB2 HIS A 14 0.191 19.542 20.929 1.00 0.91 H new ATOM 0 HB3 HIS A 14 1.452 18.729 20.024 1.00 0.91 H new ATOM 0 HD1 HIS A 14 3.309 17.683 21.978 1.00 4.18 H new ATOM 0 HD2 HIS A 14 -0.696 17.832 22.904 1.00 3.99 H new ATOM 0 HE1 HIS A 14 2.914 16.011 23.787 1.00 6.25 H new ATOM 215 N LEU A 15 4.404 20.652 22.250 1.00 0.54 N ATOM 216 CA LEU A 15 5.303 20.545 23.443 1.00 0.76 C ATOM 217 C LEU A 15 4.881 21.437 24.607 1.00 0.79 C ATOM 218 O LEU A 15 4.410 22.550 24.449 1.00 0.83 O ATOM 219 CB LEU A 15 6.744 20.928 23.064 1.00 1.19 C ATOM 220 CG LEU A 15 7.400 19.784 22.330 1.00 1.33 C ATOM 221 CD1 LEU A 15 8.681 20.305 21.718 1.00 1.81 C ATOM 222 CD2 LEU A 15 7.783 18.652 23.292 1.00 1.90 C ATOM 0 H LEU A 15 4.844 20.960 21.383 1.00 0.54 H new ATOM 0 HA LEU A 15 5.234 19.506 23.765 1.00 0.76 H new ATOM 0 HB2 LEU A 15 6.740 21.820 22.437 1.00 1.19 H new ATOM 0 HB3 LEU A 15 7.314 21.171 23.961 1.00 1.19 H new ATOM 0 HG LEU A 15 6.704 19.400 21.584 1.00 1.33 H new ATOM 0 HD11 LEU A 15 9.180 19.500 21.179 1.00 1.81 H new ATOM 0 HD12 LEU A 15 8.451 21.116 21.027 1.00 1.81 H new ATOM 0 HD13 LEU A 15 9.337 20.675 22.506 1.00 1.81 H new ATOM 0 HD21 LEU A 15 8.253 17.843 22.733 1.00 1.90 H new ATOM 0 HD22 LEU A 15 8.481 19.030 24.039 1.00 1.90 H new ATOM 0 HD23 LEU A 15 6.888 18.278 23.788 1.00 1.90 H new ATOM 234 N LYS A 16 5.102 20.859 25.753 1.00 0.82 N ATOM 235 CA LYS A 16 4.797 21.487 27.071 1.00 0.91 C ATOM 236 C LYS A 16 5.521 22.828 27.231 1.00 0.45 C ATOM 237 O LYS A 16 5.005 23.859 27.619 1.00 0.55 O ATOM 238 CB LYS A 16 5.240 20.459 28.116 1.00 1.34 C ATOM 239 CG LYS A 16 4.881 20.857 29.553 1.00 1.73 C ATOM 240 CD LYS A 16 5.592 19.800 30.452 1.00 1.68 C ATOM 241 CE LYS A 16 4.842 19.569 31.763 1.00 3.01 C ATOM 242 NZ LYS A 16 4.896 20.850 32.539 1.00 3.51 N ATOM 0 H LYS A 16 5.504 19.925 25.833 1.00 0.82 H new ATOM 0 HA LYS A 16 3.739 21.725 27.177 1.00 0.91 H new ATOM 0 HB2 LYS A 16 4.779 19.498 27.887 1.00 1.34 H new ATOM 0 HB3 LYS A 16 6.319 20.321 28.044 1.00 1.34 H new ATOM 0 HG2 LYS A 16 5.226 21.866 29.781 1.00 1.73 H new ATOM 0 HG3 LYS A 16 3.802 20.846 29.708 1.00 1.73 H new ATOM 0 HD2 LYS A 16 5.673 18.858 29.910 1.00 1.68 H new ATOM 0 HD3 LYS A 16 6.607 20.132 30.668 1.00 1.68 H new ATOM 0 HE2 LYS A 16 3.809 19.281 31.569 1.00 3.01 H new ATOM 0 HE3 LYS A 16 5.299 18.757 32.329 1.00 3.01 H new ATOM 0 HZ1 LYS A 16 4.562 20.682 33.510 1.00 3.51 H new ATOM 0 HZ2 LYS A 16 5.875 21.199 32.565 1.00 3.51 H new ATOM 0 HZ3 LYS A 16 4.288 21.559 32.081 1.00 3.51 H new ATOM 256 N THR A 17 6.758 22.721 26.878 1.00 0.35 N ATOM 257 CA THR A 17 7.690 23.880 26.954 1.00 0.77 C ATOM 258 C THR A 17 8.034 24.350 25.532 1.00 0.99 C ATOM 259 O THR A 17 7.777 23.676 24.549 1.00 0.85 O ATOM 260 CB THR A 17 8.945 23.415 27.714 1.00 1.39 C ATOM 261 OG1 THR A 17 8.471 22.713 28.857 1.00 1.80 O ATOM 262 CG2 THR A 17 9.657 24.553 28.419 1.00 2.32 C ATOM 0 H THR A 17 7.180 21.860 26.530 1.00 0.35 H new ATOM 0 HA THR A 17 7.240 24.723 27.479 1.00 0.77 H new ATOM 0 HB THR A 17 9.576 22.895 26.994 1.00 1.39 H new ATOM 0 HG1 THR A 17 8.824 21.799 28.849 1.00 1.80 H new ATOM 0 HG21 THR A 17 10.534 24.167 28.938 1.00 2.32 H new ATOM 0 HG22 THR A 17 9.968 25.298 27.686 1.00 2.32 H new ATOM 0 HG23 THR A 17 8.982 25.013 29.140 1.00 2.32 H new ATOM 270 N LYS A 18 8.613 25.514 25.478 1.00 1.50 N ATOM 271 CA LYS A 18 9.014 26.133 24.170 1.00 1.93 C ATOM 272 C LYS A 18 10.511 25.898 23.867 1.00 2.03 C ATOM 273 O LYS A 18 11.322 26.372 24.638 1.00 2.17 O ATOM 274 CB LYS A 18 8.707 27.655 24.241 1.00 2.26 C ATOM 275 CG LYS A 18 7.204 27.908 24.556 1.00 1.92 C ATOM 276 CD LYS A 18 6.305 27.500 23.354 1.00 1.75 C ATOM 277 CE LYS A 18 4.835 27.650 23.753 1.00 2.79 C ATOM 278 NZ LYS A 18 3.989 27.321 22.558 1.00 4.25 N ATOM 0 H LYS A 18 8.833 26.080 26.298 1.00 1.50 H new ATOM 0 HA LYS A 18 8.449 25.668 23.362 1.00 1.93 H new ATOM 0 HB2 LYS A 18 9.326 28.119 25.009 1.00 2.26 H new ATOM 0 HB3 LYS A 18 8.968 28.127 23.294 1.00 2.26 H new ATOM 0 HG2 LYS A 18 6.914 27.341 25.440 1.00 1.92 H new ATOM 0 HG3 LYS A 18 7.050 28.962 24.788 1.00 1.92 H new ATOM 0 HD2 LYS A 18 6.526 28.127 22.490 1.00 1.75 H new ATOM 0 HD3 LYS A 18 6.512 26.470 23.062 1.00 1.75 H new ATOM 0 HE2 LYS A 18 4.596 26.984 24.583 1.00 2.79 H new ATOM 0 HE3 LYS A 18 4.635 28.666 24.092 1.00 2.79 H new ATOM 0 HZ1 LYS A 18 2.984 27.417 22.807 1.00 4.25 H new ATOM 0 HZ2 LYS A 18 4.217 27.974 21.781 1.00 4.25 H new ATOM 0 HZ3 LYS A 18 4.179 26.344 22.256 1.00 4.25 H new ATOM 292 N PRO A 19 10.850 25.177 22.812 1.00 2.00 N ATOM 293 CA PRO A 19 12.275 24.905 22.439 1.00 2.04 C ATOM 294 C PRO A 19 13.020 26.175 21.957 1.00 1.87 C ATOM 295 O PRO A 19 12.509 27.272 22.057 1.00 2.37 O ATOM 296 CB PRO A 19 12.179 23.804 21.350 1.00 2.16 C ATOM 297 CG PRO A 19 10.747 23.238 21.547 1.00 2.70 C ATOM 298 CD PRO A 19 9.926 24.490 21.867 1.00 1.94 C ATOM 0 HA PRO A 19 12.870 24.579 23.292 1.00 2.04 H new ATOM 0 HB2 PRO A 19 12.316 24.214 20.349 1.00 2.16 H new ATOM 0 HB3 PRO A 19 12.939 23.035 21.487 1.00 2.16 H new ATOM 0 HG2 PRO A 19 10.384 22.735 20.650 1.00 2.70 H new ATOM 0 HG3 PRO A 19 10.708 22.511 22.358 1.00 2.70 H new ATOM 0 HD2 PRO A 19 9.718 25.089 20.980 1.00 1.94 H new ATOM 0 HD3 PRO A 19 8.965 24.252 22.324 1.00 1.94 H new ATOM 306 N ALA A 20 14.202 25.953 21.444 1.00 1.31 N ATOM 307 CA ALA A 20 15.081 27.057 20.922 1.00 1.24 C ATOM 308 C ALA A 20 15.010 27.283 19.372 1.00 1.00 C ATOM 309 O ALA A 20 14.729 26.367 18.618 1.00 0.90 O ATOM 310 CB ALA A 20 16.507 26.686 21.381 1.00 1.30 C ATOM 0 H ALA A 20 14.612 25.023 21.360 1.00 1.31 H new ATOM 0 HA ALA A 20 14.741 28.014 21.319 1.00 1.24 H new ATOM 0 HB1 ALA A 20 17.209 27.446 21.038 1.00 1.30 H new ATOM 0 HB2 ALA A 20 16.536 26.630 22.469 1.00 1.30 H new ATOM 0 HB3 ALA A 20 16.785 25.719 20.961 1.00 1.30 H new ATOM 316 N ASP A 21 15.258 28.494 18.937 1.00 0.90 N ATOM 317 CA ASP A 21 15.223 28.823 17.476 1.00 0.67 C ATOM 318 C ASP A 21 15.889 27.750 16.592 1.00 0.76 C ATOM 319 O ASP A 21 15.308 27.319 15.617 1.00 0.87 O ATOM 320 CB ASP A 21 15.895 30.191 17.332 1.00 0.47 C ATOM 321 CG ASP A 21 15.009 31.281 17.942 1.00 2.05 C ATOM 322 OD1 ASP A 21 14.806 31.193 19.146 1.00 4.18 O ATOM 323 OD2 ASP A 21 14.587 32.130 17.172 1.00 2.25 O ATOM 0 H ASP A 21 15.487 29.282 19.542 1.00 0.90 H new ATOM 0 HA ASP A 21 14.193 28.848 17.121 1.00 0.67 H new ATOM 0 HB2 ASP A 21 16.866 30.182 17.827 1.00 0.47 H new ATOM 0 HB3 ASP A 21 16.076 30.406 16.279 1.00 0.47 H new ATOM 328 N GLU A 22 17.085 27.342 16.932 1.00 0.72 N ATOM 329 CA GLU A 22 17.786 26.291 16.113 1.00 0.72 C ATOM 330 C GLU A 22 16.947 25.027 16.024 1.00 0.70 C ATOM 331 O GLU A 22 16.750 24.513 14.942 1.00 0.48 O ATOM 332 CB GLU A 22 19.166 25.858 16.718 1.00 0.77 C ATOM 333 CG GLU A 22 20.072 27.062 17.090 1.00 0.67 C ATOM 334 CD GLU A 22 19.463 27.815 18.268 1.00 2.02 C ATOM 335 OE1 GLU A 22 19.079 27.129 19.204 1.00 2.00 O ATOM 336 OE2 GLU A 22 19.402 29.022 18.158 1.00 3.84 O ATOM 0 H GLU A 22 17.609 27.686 17.737 1.00 0.72 H new ATOM 0 HA GLU A 22 17.940 26.750 15.137 1.00 0.72 H new ATOM 0 HB2 GLU A 22 18.992 25.253 17.608 1.00 0.77 H new ATOM 0 HB3 GLU A 22 19.689 25.226 16.000 1.00 0.77 H new ATOM 0 HG2 GLU A 22 21.072 26.712 17.347 1.00 0.67 H new ATOM 0 HG3 GLU A 22 20.178 27.729 16.234 1.00 0.67 H new ATOM 343 N GLU A 23 16.445 24.514 17.120 1.00 1.04 N ATOM 344 CA GLU A 23 15.630 23.273 16.963 1.00 1.05 C ATOM 345 C GLU A 23 14.387 23.680 16.159 1.00 0.97 C ATOM 346 O GLU A 23 14.026 22.957 15.261 1.00 0.91 O ATOM 347 CB GLU A 23 15.308 22.719 18.391 1.00 1.18 C ATOM 348 CG GLU A 23 16.532 21.842 18.925 1.00 1.63 C ATOM 349 CD GLU A 23 16.771 20.498 18.194 1.00 3.34 C ATOM 350 OE1 GLU A 23 16.616 20.440 16.986 1.00 3.86 O ATOM 351 OE2 GLU A 23 17.127 19.525 18.838 1.00 4.88 O ATOM 0 H GLU A 23 16.555 24.876 18.067 1.00 1.04 H new ATOM 0 HA GLU A 23 16.138 22.470 16.429 1.00 1.05 H new ATOM 0 HB2 GLU A 23 15.116 23.545 19.076 1.00 1.18 H new ATOM 0 HB3 GLU A 23 14.402 22.113 18.360 1.00 1.18 H new ATOM 0 HG2 GLU A 23 17.441 22.439 18.852 1.00 1.63 H new ATOM 0 HG3 GLU A 23 16.371 21.634 19.983 1.00 1.63 H new ATOM 358 N MET A 24 13.757 24.794 16.465 1.00 0.99 N ATOM 359 CA MET A 24 12.544 25.219 15.673 1.00 0.96 C ATOM 360 C MET A 24 12.898 25.096 14.170 1.00 0.80 C ATOM 361 O MET A 24 12.172 24.477 13.410 1.00 0.74 O ATOM 362 CB MET A 24 12.169 26.694 16.013 1.00 1.03 C ATOM 363 CG MET A 24 11.625 26.822 17.454 1.00 1.03 C ATOM 364 SD MET A 24 10.667 28.318 17.817 1.00 1.01 S ATOM 365 CE MET A 24 11.959 29.418 18.454 1.00 4.30 C ATOM 0 H MET A 24 14.024 25.425 17.221 1.00 0.99 H new ATOM 0 HA MET A 24 11.690 24.588 15.919 1.00 0.96 H new ATOM 0 HB2 MET A 24 13.047 27.330 15.896 1.00 1.03 H new ATOM 0 HB3 MET A 24 11.420 27.052 15.307 1.00 1.03 H new ATOM 0 HG2 MET A 24 10.998 25.955 17.662 1.00 1.03 H new ATOM 0 HG3 MET A 24 12.468 26.779 18.144 1.00 1.03 H new ATOM 0 HE1 MET A 24 11.519 30.131 19.151 1.00 4.30 H new ATOM 0 HE2 MET A 24 12.717 28.828 18.969 1.00 4.30 H new ATOM 0 HE3 MET A 24 12.419 29.957 17.626 1.00 4.30 H new ATOM 375 N LEU A 25 14.008 25.710 13.824 1.00 0.72 N ATOM 376 CA LEU A 25 14.556 25.719 12.454 1.00 0.61 C ATOM 377 C LEU A 25 14.825 24.275 11.965 1.00 0.51 C ATOM 378 O LEU A 25 14.413 23.943 10.871 1.00 0.42 O ATOM 379 CB LEU A 25 15.824 26.585 12.539 1.00 0.64 C ATOM 380 CG LEU A 25 15.511 28.112 12.620 1.00 0.86 C ATOM 381 CD1 LEU A 25 16.775 28.852 12.994 1.00 0.92 C ATOM 382 CD2 LEU A 25 15.164 28.663 11.243 1.00 1.08 C ATOM 0 H LEU A 25 14.579 26.232 14.489 1.00 0.72 H new ATOM 0 HA LEU A 25 13.866 26.133 11.719 1.00 0.61 H new ATOM 0 HB2 LEU A 25 16.401 26.290 13.415 1.00 0.64 H new ATOM 0 HB3 LEU A 25 16.449 26.393 11.667 1.00 0.64 H new ATOM 0 HG LEU A 25 14.697 28.240 13.333 1.00 0.86 H new ATOM 0 HD11 LEU A 25 16.567 29.920 13.053 1.00 0.92 H new ATOM 0 HD12 LEU A 25 17.132 28.497 13.961 1.00 0.92 H new ATOM 0 HD13 LEU A 25 17.539 28.672 12.238 1.00 0.92 H new ATOM 0 HD21 LEU A 25 14.949 29.729 11.321 1.00 1.08 H new ATOM 0 HD22 LEU A 25 16.006 28.511 10.568 1.00 1.08 H new ATOM 0 HD23 LEU A 25 14.288 28.144 10.854 1.00 1.08 H new ATOM 394 N PHE A 26 15.460 23.471 12.789 1.00 0.58 N ATOM 395 CA PHE A 26 15.786 22.049 12.421 1.00 0.54 C ATOM 396 C PHE A 26 14.469 21.332 12.154 1.00 0.44 C ATOM 397 O PHE A 26 14.341 20.614 11.192 1.00 0.32 O ATOM 398 CB PHE A 26 16.528 21.363 13.576 1.00 0.71 C ATOM 399 CG PHE A 26 16.967 19.972 13.091 1.00 0.63 C ATOM 400 CD1 PHE A 26 16.091 18.908 13.160 1.00 1.98 C ATOM 401 CD2 PHE A 26 18.232 19.762 12.573 1.00 2.82 C ATOM 402 CE1 PHE A 26 16.464 17.657 12.724 1.00 2.15 C ATOM 403 CE2 PHE A 26 18.608 18.505 12.135 1.00 2.68 C ATOM 404 CZ PHE A 26 17.724 17.456 12.211 1.00 0.57 C ATOM 0 H PHE A 26 15.773 23.745 13.720 1.00 0.58 H new ATOM 0 HA PHE A 26 16.427 22.020 11.540 1.00 0.54 H new ATOM 0 HB2 PHE A 26 17.393 21.953 13.878 1.00 0.71 H new ATOM 0 HB3 PHE A 26 15.880 21.277 14.449 1.00 0.71 H new ATOM 0 HD1 PHE A 26 15.100 19.059 13.561 1.00 1.98 H new ATOM 0 HD2 PHE A 26 18.930 20.584 12.510 1.00 2.82 H new ATOM 0 HE1 PHE A 26 15.768 16.834 12.785 1.00 2.15 H new ATOM 0 HE2 PHE A 26 19.598 18.348 11.733 1.00 2.68 H new ATOM 0 HZ PHE A 26 18.018 16.475 11.868 1.00 0.57 H new ATOM 414 N ILE A 27 13.518 21.543 13.020 1.00 0.52 N ATOM 415 CA ILE A 27 12.161 20.932 12.900 1.00 0.52 C ATOM 416 C ILE A 27 11.691 21.537 11.589 1.00 0.44 C ATOM 417 O ILE A 27 11.812 20.862 10.604 1.00 0.34 O ATOM 418 CB ILE A 27 11.308 21.385 14.120 1.00 0.68 C ATOM 419 CG1 ILE A 27 11.786 20.670 15.416 1.00 1.18 C ATOM 420 CG2 ILE A 27 9.797 21.142 13.900 1.00 0.80 C ATOM 421 CD1 ILE A 27 11.650 19.132 15.318 1.00 0.94 C ATOM 0 H ILE A 27 13.630 22.139 13.840 1.00 0.52 H new ATOM 0 HA ILE A 27 12.110 19.843 12.899 1.00 0.52 H new ATOM 0 HB ILE A 27 11.452 22.460 14.230 1.00 0.68 H new ATOM 0 HG12 ILE A 27 12.827 20.930 15.610 1.00 1.18 H new ATOM 0 HG13 ILE A 27 11.204 21.031 16.264 1.00 1.18 H new ATOM 0 HG21 ILE A 27 9.243 21.474 14.778 1.00 0.80 H new ATOM 0 HG22 ILE A 27 9.462 21.702 13.027 1.00 0.80 H new ATOM 0 HG23 ILE A 27 9.619 20.079 13.740 1.00 0.80 H new ATOM 0 HD11 ILE A 27 11.996 18.676 16.246 1.00 0.94 H new ATOM 0 HD12 ILE A 27 10.605 18.869 15.152 1.00 0.94 H new ATOM 0 HD13 ILE A 27 12.253 18.766 14.487 1.00 0.94 H new ATOM 433 N TYR A 28 11.158 22.733 11.580 1.00 0.48 N ATOM 434 CA TYR A 28 10.705 23.361 10.278 1.00 0.43 C ATOM 435 C TYR A 28 11.385 22.746 9.022 1.00 0.28 C ATOM 436 O TYR A 28 10.718 22.201 8.169 1.00 0.35 O ATOM 437 CB TYR A 28 10.997 24.876 10.255 1.00 0.45 C ATOM 438 CG TYR A 28 10.188 25.457 9.079 1.00 0.47 C ATOM 439 CD1 TYR A 28 8.844 25.733 9.244 1.00 2.55 C ATOM 440 CD2 TYR A 28 10.766 25.693 7.843 1.00 2.28 C ATOM 441 CE1 TYR A 28 8.092 26.231 8.198 1.00 2.73 C ATOM 442 CE2 TYR A 28 10.004 26.193 6.803 1.00 2.11 C ATOM 443 CZ TYR A 28 8.664 26.463 6.976 1.00 0.68 C ATOM 444 OH TYR A 28 7.868 26.953 5.959 1.00 0.88 O ATOM 0 H TYR A 28 11.013 23.308 12.410 1.00 0.48 H new ATOM 0 HA TYR A 28 9.634 23.162 10.235 1.00 0.43 H new ATOM 0 HB2 TYR A 28 10.704 25.342 11.196 1.00 0.45 H new ATOM 0 HB3 TYR A 28 12.063 25.064 10.124 1.00 0.45 H new ATOM 0 HD1 TYR A 28 8.376 25.557 10.202 1.00 2.55 H new ATOM 0 HD2 TYR A 28 11.815 25.486 7.691 1.00 2.28 H new ATOM 0 HE1 TYR A 28 7.043 26.439 8.346 1.00 2.73 H new ATOM 0 HE2 TYR A 28 10.465 26.374 5.843 1.00 2.11 H new ATOM 0 HH TYR A 28 8.407 27.070 5.149 1.00 0.88 H new ATOM 454 N SER A 29 12.687 22.824 8.942 1.00 0.15 N ATOM 455 CA SER A 29 13.473 22.282 7.785 1.00 0.02 C ATOM 456 C SER A 29 13.230 20.775 7.612 1.00 0.18 C ATOM 457 O SER A 29 12.725 20.333 6.597 1.00 0.33 O ATOM 458 CB SER A 29 14.950 22.647 8.102 1.00 0.16 C ATOM 459 OG SER A 29 15.246 21.970 9.318 1.00 0.23 O ATOM 0 H SER A 29 13.265 23.260 9.661 1.00 0.15 H new ATOM 0 HA SER A 29 13.175 22.709 6.827 1.00 0.02 H new ATOM 0 HB2 SER A 29 15.616 22.327 7.301 1.00 0.16 H new ATOM 0 HB3 SER A 29 15.075 23.724 8.210 1.00 0.16 H new ATOM 0 HG SER A 29 15.159 22.594 10.069 1.00 0.23 H new ATOM 465 N HIS A 30 13.587 20.006 8.595 1.00 0.19 N ATOM 466 CA HIS A 30 13.380 18.530 8.528 1.00 0.22 C ATOM 467 C HIS A 30 11.896 18.152 8.365 1.00 0.33 C ATOM 468 O HIS A 30 11.582 17.121 7.815 1.00 0.58 O ATOM 469 CB HIS A 30 13.975 17.935 9.807 1.00 0.22 C ATOM 470 CG HIS A 30 15.467 17.886 9.572 1.00 0.28 C ATOM 471 ND1 HIS A 30 16.082 16.798 9.285 1.00 2.51 N ATOM 472 CD2 HIS A 30 16.446 18.857 9.567 1.00 1.68 C ATOM 473 CE1 HIS A 30 17.344 17.041 9.105 1.00 2.15 C ATOM 474 NE2 HIS A 30 17.610 18.314 9.272 1.00 0.71 N ATOM 0 H HIS A 30 14.020 20.338 9.457 1.00 0.19 H new ATOM 0 HA HIS A 30 13.877 18.126 7.646 1.00 0.22 H new ATOM 0 HB2 HIS A 30 13.734 18.549 10.675 1.00 0.22 H new ATOM 0 HB3 HIS A 30 13.575 16.940 10.000 1.00 0.22 H new ATOM 0 HD2 HIS A 30 16.283 19.905 9.774 1.00 1.68 H new ATOM 0 HE1 HIS A 30 18.079 16.292 8.851 1.00 2.15 H new ATOM 0 HE2 HIS A 30 18.514 18.779 9.192 1.00 0.71 H new ATOM 482 N TYR A 31 11.011 18.968 8.859 1.00 0.29 N ATOM 483 CA TYR A 31 9.553 18.675 8.730 1.00 0.34 C ATOM 484 C TYR A 31 9.229 18.812 7.243 1.00 0.27 C ATOM 485 O TYR A 31 8.601 17.963 6.635 1.00 0.31 O ATOM 486 CB TYR A 31 8.704 19.691 9.533 1.00 0.36 C ATOM 487 CG TYR A 31 7.224 19.381 9.242 1.00 0.35 C ATOM 488 CD1 TYR A 31 6.544 18.328 9.832 1.00 0.32 C ATOM 489 CD2 TYR A 31 6.566 20.163 8.328 1.00 0.48 C ATOM 490 CE1 TYR A 31 5.219 18.071 9.494 1.00 0.47 C ATOM 491 CE2 TYR A 31 5.258 19.912 7.991 1.00 0.58 C ATOM 492 CZ TYR A 31 4.580 18.870 8.564 1.00 0.59 C ATOM 493 OH TYR A 31 3.280 18.649 8.166 1.00 0.75 O ATOM 0 H TYR A 31 11.234 19.833 9.351 1.00 0.29 H new ATOM 0 HA TYR A 31 9.325 17.682 9.118 1.00 0.34 H new ATOM 0 HB2 TYR A 31 8.912 19.607 10.600 1.00 0.36 H new ATOM 0 HB3 TYR A 31 8.948 20.712 9.240 1.00 0.36 H new ATOM 0 HD1 TYR A 31 7.045 17.704 10.557 1.00 0.32 H new ATOM 0 HD2 TYR A 31 7.084 20.990 7.865 1.00 0.48 H new ATOM 0 HE1 TYR A 31 4.691 17.250 9.957 1.00 0.47 H new ATOM 0 HE2 TYR A 31 4.761 20.542 7.268 1.00 0.58 H new ATOM 0 HH TYR A 31 3.021 19.325 7.506 1.00 0.75 H new ATOM 503 N LYS A 32 9.689 19.902 6.686 1.00 0.22 N ATOM 504 CA LYS A 32 9.417 20.104 5.240 1.00 0.24 C ATOM 505 C LYS A 32 10.144 18.962 4.490 1.00 0.29 C ATOM 506 O LYS A 32 9.482 18.283 3.734 1.00 0.28 O ATOM 507 CB LYS A 32 9.903 21.522 4.903 1.00 0.30 C ATOM 508 CG LYS A 32 9.047 22.623 5.614 1.00 0.39 C ATOM 509 CD LYS A 32 7.541 22.399 5.221 1.00 0.62 C ATOM 510 CE LYS A 32 6.872 23.666 4.756 1.00 0.24 C ATOM 511 NZ LYS A 32 6.588 24.527 5.947 1.00 2.30 N ATOM 0 H LYS A 32 10.222 20.635 7.153 1.00 0.22 H new ATOM 0 HA LYS A 32 8.368 20.051 4.948 1.00 0.24 H new ATOM 0 HB2 LYS A 32 10.947 21.627 5.200 1.00 0.30 H new ATOM 0 HB3 LYS A 32 9.862 21.672 3.824 1.00 0.30 H new ATOM 0 HG2 LYS A 32 9.171 22.563 6.695 1.00 0.39 H new ATOM 0 HG3 LYS A 32 9.376 23.617 5.310 1.00 0.39 H new ATOM 0 HD2 LYS A 32 7.482 21.650 4.431 1.00 0.62 H new ATOM 0 HD3 LYS A 32 7.000 22.000 6.079 1.00 0.62 H new ATOM 0 HE2 LYS A 32 7.514 24.195 4.052 1.00 0.24 H new ATOM 0 HE3 LYS A 32 5.946 23.433 4.230 1.00 0.24 H new ATOM 0 HZ1 LYS A 32 5.605 24.864 5.905 1.00 2.30 H new ATOM 0 HZ2 LYS A 32 6.728 23.974 6.817 1.00 2.30 H new ATOM 0 HZ3 LYS A 32 7.234 25.342 5.948 1.00 2.30 H new ATOM 525 N GLN A 33 11.420 18.736 4.682 1.00 0.39 N ATOM 526 CA GLN A 33 12.099 17.598 3.944 1.00 0.50 C ATOM 527 C GLN A 33 11.370 16.251 4.164 1.00 0.52 C ATOM 528 O GLN A 33 11.133 15.485 3.252 1.00 0.55 O ATOM 529 CB GLN A 33 13.538 17.393 4.429 1.00 0.71 C ATOM 530 CG GLN A 33 14.409 18.578 4.080 1.00 1.85 C ATOM 531 CD GLN A 33 14.650 18.711 2.563 1.00 2.45 C ATOM 532 OE1 GLN A 33 14.817 19.804 2.072 1.00 4.45 O ATOM 533 NE2 GLN A 33 14.695 17.694 1.750 1.00 1.89 N ATOM 0 H GLN A 33 12.022 19.274 5.305 1.00 0.39 H new ATOM 0 HA GLN A 33 12.076 17.881 2.892 1.00 0.50 H new ATOM 0 HB2 GLN A 33 13.542 17.241 5.508 1.00 0.71 H new ATOM 0 HB3 GLN A 33 13.951 16.490 3.979 1.00 0.71 H new ATOM 0 HG2 GLN A 33 13.941 19.490 4.451 1.00 1.85 H new ATOM 0 HG3 GLN A 33 15.368 18.482 4.589 1.00 1.85 H new ATOM 0 HE21 GLN A 33 14.561 16.748 2.108 1.00 1.89 H new ATOM 0 HE22 GLN A 33 14.864 17.843 0.755 1.00 1.89 H new ATOM 542 N ALA A 34 11.033 15.977 5.396 1.00 0.54 N ATOM 543 CA ALA A 34 10.328 14.714 5.748 1.00 0.55 C ATOM 544 C ALA A 34 8.969 14.575 5.037 1.00 0.53 C ATOM 545 O ALA A 34 8.700 13.545 4.441 1.00 0.52 O ATOM 546 CB ALA A 34 10.164 14.712 7.274 1.00 0.54 C ATOM 0 H ALA A 34 11.222 16.590 6.189 1.00 0.54 H new ATOM 0 HA ALA A 34 10.912 13.857 5.413 1.00 0.55 H new ATOM 0 HB1 ALA A 34 9.650 13.802 7.584 1.00 0.54 H new ATOM 0 HB2 ALA A 34 11.146 14.752 7.746 1.00 0.54 H new ATOM 0 HB3 ALA A 34 9.579 15.580 7.578 1.00 0.54 H new ATOM 552 N THR A 35 8.162 15.602 5.119 1.00 0.53 N ATOM 553 CA THR A 35 6.809 15.536 4.451 1.00 0.51 C ATOM 554 C THR A 35 6.803 15.793 2.971 1.00 0.82 C ATOM 555 O THR A 35 5.990 15.232 2.266 1.00 1.04 O ATOM 556 CB THR A 35 5.817 16.545 5.065 1.00 0.27 C ATOM 557 OG1 THR A 35 6.398 17.817 4.873 1.00 0.45 O ATOM 558 CG2 THR A 35 5.787 16.434 6.559 1.00 0.73 C ATOM 0 H THR A 35 8.368 16.473 5.609 1.00 0.53 H new ATOM 0 HA THR A 35 6.513 14.501 4.624 1.00 0.51 H new ATOM 0 HB THR A 35 4.833 16.381 4.625 1.00 0.27 H new ATOM 0 HG1 THR A 35 7.110 17.954 5.532 1.00 0.45 H new ATOM 0 HG21 THR A 35 5.079 17.157 6.963 1.00 0.73 H new ATOM 0 HG22 THR A 35 5.480 15.428 6.843 1.00 0.73 H new ATOM 0 HG23 THR A 35 6.781 16.636 6.959 1.00 0.73 H new ATOM 566 N VAL A 36 7.697 16.620 2.528 1.00 0.99 N ATOM 567 CA VAL A 36 7.810 16.971 1.077 1.00 1.53 C ATOM 568 C VAL A 36 9.166 16.418 0.586 1.00 1.84 C ATOM 569 O VAL A 36 9.267 15.342 0.024 1.00 2.98 O ATOM 570 CB VAL A 36 7.733 18.545 0.929 1.00 1.55 C ATOM 571 CG1 VAL A 36 8.032 18.969 -0.529 1.00 2.10 C ATOM 572 CG2 VAL A 36 6.329 19.077 1.261 1.00 1.60 C ATOM 0 H VAL A 36 8.380 17.087 3.124 1.00 0.99 H new ATOM 0 HA VAL A 36 7.005 16.542 0.481 1.00 1.53 H new ATOM 0 HB VAL A 36 8.468 18.955 1.622 1.00 1.55 H new ATOM 0 HG11 VAL A 36 7.974 20.054 -0.611 1.00 2.10 H new ATOM 0 HG12 VAL A 36 9.032 18.637 -0.807 1.00 2.10 H new ATOM 0 HG13 VAL A 36 7.300 18.515 -1.197 1.00 2.10 H new ATOM 0 HG21 VAL A 36 6.315 20.161 1.148 1.00 1.60 H new ATOM 0 HG22 VAL A 36 5.601 18.632 0.582 1.00 1.60 H new ATOM 0 HG23 VAL A 36 6.074 18.816 2.288 1.00 1.60 H new ATOM 582 N GLY A 37 10.185 17.182 0.829 1.00 0.97 N ATOM 583 CA GLY A 37 11.592 16.837 0.434 1.00 1.15 C ATOM 584 C GLY A 37 12.207 18.190 0.072 1.00 0.67 C ATOM 585 O GLY A 37 12.261 19.047 0.940 1.00 0.66 O ATOM 0 H GLY A 37 10.105 18.078 1.309 1.00 0.97 H new ATOM 0 HA2 GLY A 37 12.131 16.357 1.251 1.00 1.15 H new ATOM 0 HA3 GLY A 37 11.614 16.148 -0.410 1.00 1.15 H new ATOM 589 N ASP A 38 12.646 18.368 -1.142 1.00 0.25 N ATOM 590 CA ASP A 38 13.234 19.657 -1.503 1.00 0.34 C ATOM 591 C ASP A 38 12.318 20.871 -1.211 1.00 0.71 C ATOM 592 O ASP A 38 11.116 20.759 -1.072 1.00 1.82 O ATOM 593 CB ASP A 38 13.611 19.565 -3.024 1.00 0.84 C ATOM 594 CG ASP A 38 13.976 18.220 -3.678 1.00 1.27 C ATOM 595 OD1 ASP A 38 14.219 17.241 -3.000 1.00 1.03 O ATOM 596 OD2 ASP A 38 13.996 18.298 -4.903 1.00 2.41 O ATOM 0 H ASP A 38 12.617 17.672 -1.887 1.00 0.25 H new ATOM 0 HA ASP A 38 14.111 19.839 -0.882 1.00 0.34 H new ATOM 0 HB2 ASP A 38 12.770 19.973 -3.585 1.00 0.84 H new ATOM 0 HB3 ASP A 38 14.456 20.235 -3.183 1.00 0.84 H new ATOM 601 N ILE A 39 12.962 22.006 -1.147 1.00 0.43 N ATOM 602 CA ILE A 39 12.284 23.323 -0.881 1.00 0.29 C ATOM 603 C ILE A 39 11.859 23.861 -2.257 1.00 0.20 C ATOM 604 O ILE A 39 12.657 24.091 -3.143 1.00 0.55 O ATOM 605 CB ILE A 39 13.314 24.192 -0.146 1.00 0.49 C ATOM 606 CG1 ILE A 39 12.543 25.430 0.351 1.00 0.61 C ATOM 607 CG2 ILE A 39 14.544 24.537 -1.053 1.00 0.53 C ATOM 608 CD1 ILE A 39 13.410 26.187 1.360 1.00 0.80 C ATOM 0 H ILE A 39 13.971 22.083 -1.273 1.00 0.43 H new ATOM 0 HA ILE A 39 11.392 23.280 -0.255 1.00 0.29 H new ATOM 0 HB ILE A 39 13.758 23.666 0.699 1.00 0.49 H new ATOM 0 HG12 ILE A 39 12.290 26.078 -0.488 1.00 0.61 H new ATOM 0 HG13 ILE A 39 11.604 25.127 0.814 1.00 0.61 H new ATOM 0 HG21 ILE A 39 15.248 25.153 -0.493 1.00 0.53 H new ATOM 0 HG22 ILE A 39 15.036 23.616 -1.364 1.00 0.53 H new ATOM 0 HG23 ILE A 39 14.205 25.083 -1.934 1.00 0.53 H new ATOM 0 HD11 ILE A 39 12.871 27.065 1.716 1.00 0.80 H new ATOM 0 HD12 ILE A 39 13.640 25.535 2.203 1.00 0.80 H new ATOM 0 HD13 ILE A 39 14.337 26.501 0.880 1.00 0.80 H new ATOM 620 N ASN A 40 10.578 24.052 -2.416 1.00 0.33 N ATOM 621 CA ASN A 40 10.014 24.563 -3.716 1.00 0.42 C ATOM 622 C ASN A 40 9.225 25.882 -3.513 1.00 0.37 C ATOM 623 O ASN A 40 8.412 26.297 -4.320 1.00 0.43 O ATOM 624 CB ASN A 40 9.137 23.410 -4.239 1.00 0.95 C ATOM 625 CG ASN A 40 8.029 23.105 -3.223 1.00 1.51 C ATOM 626 OD1 ASN A 40 8.260 22.868 -2.056 1.00 3.08 O ATOM 627 ND2 ASN A 40 6.792 23.095 -3.596 1.00 3.51 N ATOM 0 H ASN A 40 9.880 23.875 -1.693 1.00 0.33 H new ATOM 0 HA ASN A 40 10.789 24.824 -4.437 1.00 0.42 H new ATOM 0 HB2 ASN A 40 8.699 23.680 -5.200 1.00 0.95 H new ATOM 0 HB3 ASN A 40 9.747 22.522 -4.405 1.00 0.95 H new ATOM 0 HD21 ASN A 40 6.057 22.893 -2.919 1.00 3.51 H new ATOM 0 HD22 ASN A 40 6.551 23.289 -4.568 1.00 3.51 H new ATOM 634 N THR A 41 9.523 26.478 -2.397 1.00 0.41 N ATOM 635 CA THR A 41 8.885 27.763 -1.989 1.00 0.60 C ATOM 636 C THR A 41 9.798 28.955 -2.223 1.00 0.79 C ATOM 637 O THR A 41 11.014 28.857 -2.259 1.00 0.79 O ATOM 638 CB THR A 41 8.559 27.731 -0.511 1.00 0.75 C ATOM 639 OG1 THR A 41 9.842 27.489 0.037 1.00 0.32 O ATOM 640 CG2 THR A 41 7.792 26.480 -0.077 1.00 1.25 C ATOM 0 H THR A 41 10.204 26.119 -1.728 1.00 0.41 H new ATOM 0 HA THR A 41 7.986 27.872 -2.596 1.00 0.60 H new ATOM 0 HB THR A 41 7.990 28.618 -0.231 1.00 0.75 H new ATOM 0 HG1 THR A 41 10.088 28.228 0.632 1.00 0.32 H new ATOM 0 HG21 THR A 41 7.594 26.528 0.994 1.00 1.25 H new ATOM 0 HG22 THR A 41 6.848 26.426 -0.618 1.00 1.25 H new ATOM 0 HG23 THR A 41 8.387 25.594 -0.297 1.00 1.25 H new ATOM 648 N GLU A 42 9.140 30.068 -2.349 1.00 1.15 N ATOM 649 CA GLU A 42 9.866 31.330 -2.587 1.00 1.50 C ATOM 650 C GLU A 42 10.863 31.685 -1.475 1.00 1.42 C ATOM 651 O GLU A 42 10.484 32.056 -0.378 1.00 1.39 O ATOM 652 CB GLU A 42 8.895 32.493 -2.697 1.00 1.88 C ATOM 653 CG GLU A 42 7.896 32.379 -3.909 1.00 1.85 C ATOM 654 CD GLU A 42 6.961 33.610 -4.055 1.00 4.55 C ATOM 655 OE1 GLU A 42 7.406 34.717 -3.800 1.00 5.72 O ATOM 656 OE2 GLU A 42 5.832 33.352 -4.434 1.00 5.61 O ATOM 0 H GLU A 42 8.125 30.154 -2.296 1.00 1.15 H new ATOM 0 HA GLU A 42 10.416 31.169 -3.514 1.00 1.50 H new ATOM 0 HB2 GLU A 42 8.322 32.564 -1.772 1.00 1.88 H new ATOM 0 HB3 GLU A 42 9.462 33.419 -2.792 1.00 1.88 H new ATOM 0 HG2 GLU A 42 8.466 32.254 -4.830 1.00 1.85 H new ATOM 0 HG3 GLU A 42 7.288 31.483 -3.786 1.00 1.85 H new ATOM 663 N ARG A 43 12.122 31.550 -1.765 1.00 1.43 N ATOM 664 CA ARG A 43 13.122 31.905 -0.738 1.00 1.49 C ATOM 665 C ARG A 43 12.902 33.426 -0.616 1.00 1.51 C ATOM 666 O ARG A 43 12.853 34.085 -1.640 1.00 1.57 O ATOM 667 CB ARG A 43 14.490 31.669 -1.238 1.00 1.47 C ATOM 668 CG ARG A 43 15.438 32.188 -0.136 1.00 1.73 C ATOM 669 CD ARG A 43 16.860 32.049 -0.543 1.00 1.82 C ATOM 670 NE ARG A 43 17.627 32.342 0.720 1.00 2.43 N ATOM 671 CZ ARG A 43 18.557 33.193 0.871 1.00 1.89 C ATOM 672 NH1 ARG A 43 18.423 34.399 0.500 1.00 4.24 N ATOM 673 NH2 ARG A 43 19.588 32.715 1.426 1.00 0.61 N ATOM 0 H ARG A 43 12.494 31.215 -2.654 1.00 1.43 H new ATOM 0 HA ARG A 43 13.018 31.337 0.187 1.00 1.49 H new ATOM 0 HB2 ARG A 43 14.658 30.609 -1.431 1.00 1.47 H new ATOM 0 HB3 ARG A 43 14.659 32.195 -2.178 1.00 1.47 H new ATOM 0 HG2 ARG A 43 15.218 33.235 0.074 1.00 1.73 H new ATOM 0 HG3 ARG A 43 15.265 31.634 0.787 1.00 1.73 H new ATOM 0 HD2 ARG A 43 17.073 31.047 -0.917 1.00 1.82 H new ATOM 0 HD3 ARG A 43 17.118 32.748 -1.339 1.00 1.82 H new ATOM 0 HE ARG A 43 17.371 31.797 1.544 1.00 2.43 H new ATOM 0 HH11 ARG A 43 17.551 34.706 0.068 1.00 4.24 H new ATOM 0 HH12 ARG A 43 19.187 35.062 0.634 1.00 4.24 H new ATOM 0 HH21 ARG A 43 19.610 31.733 1.703 1.00 0.61 H new ATOM 0 HH22 ARG A 43 20.398 33.311 1.597 1.00 0.61 H new ATOM 687 N PRO A 44 12.801 33.935 0.584 1.00 1.47 N ATOM 688 CA PRO A 44 12.584 35.369 0.872 1.00 1.49 C ATOM 689 C PRO A 44 12.487 36.342 -0.291 1.00 1.75 C ATOM 690 O PRO A 44 11.441 36.908 -0.528 1.00 2.29 O ATOM 691 CB PRO A 44 13.701 35.561 1.871 1.00 1.25 C ATOM 692 CG PRO A 44 13.526 34.257 2.734 1.00 1.17 C ATOM 693 CD PRO A 44 12.936 33.176 1.842 1.00 1.39 C ATOM 0 HA PRO A 44 11.586 35.615 1.235 1.00 1.49 H new ATOM 0 HB2 PRO A 44 14.680 35.617 1.395 1.00 1.25 H new ATOM 0 HB3 PRO A 44 13.581 36.470 2.461 1.00 1.25 H new ATOM 0 HG2 PRO A 44 14.486 33.936 3.137 1.00 1.17 H new ATOM 0 HG3 PRO A 44 12.871 34.448 3.584 1.00 1.17 H new ATOM 0 HD2 PRO A 44 13.594 32.313 1.741 1.00 1.39 H new ATOM 0 HD3 PRO A 44 11.980 32.806 2.211 1.00 1.39 H new ATOM 701 N GLY A 45 13.595 36.484 -0.960 1.00 1.98 N ATOM 702 CA GLY A 45 13.753 37.385 -2.158 1.00 2.20 C ATOM 703 C GLY A 45 12.830 38.592 -2.243 1.00 2.74 C ATOM 704 O GLY A 45 13.318 39.697 -2.133 1.00 2.78 O ATOM 0 H GLY A 45 14.451 35.986 -0.717 1.00 1.98 H new ATOM 0 HA2 GLY A 45 14.782 37.744 -2.178 1.00 2.20 H new ATOM 0 HA3 GLY A 45 13.607 36.784 -3.055 1.00 2.20 H new ATOM 708 N MET A 46 11.559 38.392 -2.437 1.00 3.11 N ATOM 709 CA MET A 46 10.646 39.566 -2.521 1.00 3.54 C ATOM 710 C MET A 46 9.900 39.833 -1.182 1.00 4.03 C ATOM 711 O MET A 46 10.390 40.544 -0.325 1.00 3.82 O ATOM 712 CB MET A 46 9.702 39.269 -3.736 1.00 3.84 C ATOM 713 CG MET A 46 10.600 38.931 -4.965 1.00 3.33 C ATOM 714 SD MET A 46 9.877 38.925 -6.625 1.00 4.28 S ATOM 715 CE MET A 46 11.251 39.758 -7.461 1.00 5.84 C ATOM 0 H MET A 46 11.115 37.479 -2.540 1.00 3.11 H new ATOM 0 HA MET A 46 11.188 40.497 -2.685 1.00 3.54 H new ATOM 0 HB2 MET A 46 9.037 38.436 -3.508 1.00 3.84 H new ATOM 0 HB3 MET A 46 9.071 40.132 -3.950 1.00 3.84 H new ATOM 0 HG2 MET A 46 11.426 39.643 -4.971 1.00 3.33 H new ATOM 0 HG3 MET A 46 11.031 37.945 -4.793 1.00 3.33 H new ATOM 0 HE1 MET A 46 11.021 39.865 -8.521 1.00 5.84 H new ATOM 0 HE2 MET A 46 11.401 40.744 -7.021 1.00 5.84 H new ATOM 0 HE3 MET A 46 12.159 39.167 -7.345 1.00 5.84 H new ATOM 725 N LEU A 47 8.729 39.270 -1.023 1.00 5.03 N ATOM 726 CA LEU A 47 7.911 39.456 0.223 1.00 5.55 C ATOM 727 C LEU A 47 7.892 38.374 1.383 1.00 5.03 C ATOM 728 O LEU A 47 6.865 37.749 1.557 1.00 5.72 O ATOM 729 CB LEU A 47 6.485 39.757 -0.382 1.00 6.72 C ATOM 730 CG LEU A 47 5.832 41.012 0.234 1.00 7.27 C ATOM 731 CD1 LEU A 47 4.634 41.414 -0.644 1.00 8.04 C ATOM 732 CD2 LEU A 47 5.283 40.651 1.602 1.00 8.70 C ATOM 0 H LEU A 47 8.291 38.672 -1.723 1.00 5.03 H new ATOM 0 HA LEU A 47 8.379 40.231 0.830 1.00 5.55 H new ATOM 0 HB2 LEU A 47 6.573 39.890 -1.460 1.00 6.72 H new ATOM 0 HB3 LEU A 47 5.836 38.897 -0.218 1.00 6.72 H new ATOM 0 HG LEU A 47 6.563 41.817 0.304 1.00 7.27 H new ATOM 0 HD11 LEU A 47 4.157 42.300 -0.226 1.00 8.04 H new ATOM 0 HD12 LEU A 47 4.980 41.631 -1.655 1.00 8.04 H new ATOM 0 HD13 LEU A 47 3.915 40.596 -0.675 1.00 8.04 H new ATOM 0 HD21 LEU A 47 4.818 41.529 2.051 1.00 8.70 H new ATOM 0 HD22 LEU A 47 4.541 39.860 1.499 1.00 8.70 H new ATOM 0 HD23 LEU A 47 6.096 40.305 2.240 1.00 8.70 H new ATOM 744 N ASP A 48 8.945 38.150 2.153 1.00 3.97 N ATOM 745 CA ASP A 48 8.832 37.089 3.258 1.00 3.59 C ATOM 746 C ASP A 48 8.724 37.643 4.710 1.00 4.23 C ATOM 747 O ASP A 48 9.090 38.758 5.033 1.00 4.66 O ATOM 748 CB ASP A 48 10.075 36.080 3.219 1.00 2.36 C ATOM 749 CG ASP A 48 10.010 35.038 4.373 1.00 3.41 C ATOM 750 OD1 ASP A 48 8.955 34.449 4.466 1.00 3.60 O ATOM 751 OD2 ASP A 48 10.963 34.857 5.118 1.00 5.07 O ATOM 0 H ASP A 48 9.845 38.625 2.081 1.00 3.97 H new ATOM 0 HA ASP A 48 7.891 36.587 3.031 1.00 3.59 H new ATOM 0 HB2 ASP A 48 10.092 35.561 2.261 1.00 2.36 H new ATOM 0 HB3 ASP A 48 11.004 36.645 3.291 1.00 2.36 H new ATOM 756 N PHE A 49 8.235 36.776 5.559 1.00 4.65 N ATOM 757 CA PHE A 49 7.994 36.986 7.030 1.00 5.72 C ATOM 758 C PHE A 49 8.245 35.585 7.665 1.00 5.50 C ATOM 759 O PHE A 49 8.816 35.495 8.733 1.00 5.47 O ATOM 760 CB PHE A 49 6.518 37.377 7.394 1.00 6.97 C ATOM 761 CG PHE A 49 5.655 37.763 6.193 1.00 7.88 C ATOM 762 CD1 PHE A 49 5.793 38.994 5.591 1.00 6.30 C ATOM 763 CD2 PHE A 49 4.717 36.871 5.704 1.00 10.42 C ATOM 764 CE1 PHE A 49 5.000 39.329 4.516 1.00 7.16 C ATOM 765 CE2 PHE A 49 3.925 37.207 4.627 1.00 11.35 C ATOM 766 CZ PHE A 49 4.068 38.436 4.033 1.00 9.69 C ATOM 0 H PHE A 49 7.967 35.838 5.261 1.00 4.65 H new ATOM 0 HA PHE A 49 8.632 37.799 7.378 1.00 5.72 H new ATOM 0 HB2 PHE A 49 6.049 36.539 7.909 1.00 6.97 H new ATOM 0 HB3 PHE A 49 6.538 38.211 8.095 1.00 6.97 H new ATOM 0 HD1 PHE A 49 6.524 39.697 5.962 1.00 6.30 H new ATOM 0 HD2 PHE A 49 4.604 35.903 6.170 1.00 10.42 H new ATOM 0 HE1 PHE A 49 5.109 40.297 4.049 1.00 7.16 H new ATOM 0 HE2 PHE A 49 3.194 36.506 4.252 1.00 11.35 H new ATOM 0 HZ PHE A 49 3.451 38.703 3.188 1.00 9.69 H new ATOM 776 N LYS A 50 7.792 34.547 6.966 1.00 6.08 N ATOM 777 CA LYS A 50 7.923 33.097 7.384 1.00 5.98 C ATOM 778 C LYS A 50 9.170 32.964 8.235 1.00 3.71 C ATOM 779 O LYS A 50 9.166 32.486 9.352 1.00 3.82 O ATOM 780 CB LYS A 50 8.089 32.140 6.149 1.00 6.84 C ATOM 781 CG LYS A 50 7.012 32.293 5.060 1.00 9.66 C ATOM 782 CD LYS A 50 5.615 32.114 5.628 1.00 10.38 C ATOM 783 CE LYS A 50 4.665 32.497 4.510 1.00 10.78 C ATOM 784 NZ LYS A 50 3.283 32.303 5.026 1.00 11.69 N ATOM 0 H LYS A 50 7.311 34.660 6.074 1.00 6.08 H new ATOM 0 HA LYS A 50 7.017 32.817 7.922 1.00 5.98 H new ATOM 0 HB2 LYS A 50 9.066 32.317 5.700 1.00 6.84 H new ATOM 0 HB3 LYS A 50 8.083 31.109 6.503 1.00 6.84 H new ATOM 0 HG2 LYS A 50 7.095 33.278 4.601 1.00 9.66 H new ATOM 0 HG3 LYS A 50 7.182 31.559 4.273 1.00 9.66 H new ATOM 0 HD2 LYS A 50 5.451 31.084 5.946 1.00 10.38 H new ATOM 0 HD3 LYS A 50 5.464 32.746 6.503 1.00 10.38 H new ATOM 0 HE2 LYS A 50 4.822 33.533 4.209 1.00 10.78 H new ATOM 0 HE3 LYS A 50 4.838 31.879 3.629 1.00 10.78 H new ATOM 0 HZ1 LYS A 50 2.597 32.556 4.286 1.00 11.69 H new ATOM 0 HZ2 LYS A 50 3.150 31.307 5.296 1.00 11.69 H new ATOM 0 HZ3 LYS A 50 3.135 32.910 5.857 1.00 11.69 H new ATOM 798 N GLY A 51 10.230 33.405 7.627 1.00 2.26 N ATOM 799 CA GLY A 51 11.536 33.362 8.308 1.00 1.98 C ATOM 800 C GLY A 51 12.633 32.907 7.409 1.00 1.64 C ATOM 801 O GLY A 51 12.930 31.729 7.342 1.00 2.05 O ATOM 0 H GLY A 51 10.243 33.794 6.684 1.00 2.26 H new ATOM 0 HA2 GLY A 51 11.774 34.353 8.693 1.00 1.98 H new ATOM 0 HA3 GLY A 51 11.473 32.693 9.166 1.00 1.98 H new ATOM 805 N LYS A 52 13.162 33.875 6.709 1.00 1.22 N ATOM 806 CA LYS A 52 14.294 33.657 5.769 1.00 1.23 C ATOM 807 C LYS A 52 15.136 32.460 6.249 1.00 0.83 C ATOM 808 O LYS A 52 15.555 31.622 5.484 1.00 1.05 O ATOM 809 CB LYS A 52 15.093 35.014 5.719 1.00 1.52 C ATOM 810 CG LYS A 52 14.183 36.170 5.170 1.00 3.92 C ATOM 811 CD LYS A 52 13.564 37.097 6.253 1.00 5.46 C ATOM 812 CE LYS A 52 12.319 37.774 5.635 1.00 7.94 C ATOM 813 NZ LYS A 52 11.797 38.803 6.582 1.00 9.81 N ATOM 0 H LYS A 52 12.842 34.842 6.754 1.00 1.22 H new ATOM 0 HA LYS A 52 13.970 33.402 4.760 1.00 1.23 H new ATOM 0 HB2 LYS A 52 15.452 35.268 6.716 1.00 1.52 H new ATOM 0 HB3 LYS A 52 15.971 34.902 5.083 1.00 1.52 H new ATOM 0 HG2 LYS A 52 14.772 36.781 4.486 1.00 3.92 H new ATOM 0 HG3 LYS A 52 13.374 35.729 4.587 1.00 3.92 H new ATOM 0 HD2 LYS A 52 13.288 36.522 7.137 1.00 5.46 H new ATOM 0 HD3 LYS A 52 14.287 37.847 6.574 1.00 5.46 H new ATOM 0 HE2 LYS A 52 12.578 38.237 4.683 1.00 7.94 H new ATOM 0 HE3 LYS A 52 11.550 37.029 5.429 1.00 7.94 H new ATOM 0 HZ1 LYS A 52 10.822 39.054 6.320 1.00 9.81 H new ATOM 0 HZ2 LYS A 52 11.808 38.422 7.550 1.00 9.81 H new ATOM 0 HZ3 LYS A 52 12.397 39.652 6.538 1.00 9.81 H new ATOM 827 N ALA A 53 15.295 32.450 7.550 1.00 0.47 N ATOM 828 CA ALA A 53 16.046 31.428 8.313 1.00 0.40 C ATOM 829 C ALA A 53 15.363 30.056 8.071 1.00 0.13 C ATOM 830 O ALA A 53 15.954 29.179 7.492 1.00 0.29 O ATOM 831 CB ALA A 53 15.961 31.900 9.745 1.00 0.42 C ATOM 0 H ALA A 53 14.897 33.173 8.149 1.00 0.47 H new ATOM 0 HA ALA A 53 17.090 31.304 8.025 1.00 0.40 H new ATOM 0 HB1 ALA A 53 16.493 31.201 10.391 1.00 0.42 H new ATOM 0 HB2 ALA A 53 16.413 32.888 9.830 1.00 0.42 H new ATOM 0 HB3 ALA A 53 14.916 31.952 10.050 1.00 0.42 H new ATOM 837 N LYS A 54 14.139 29.878 8.506 1.00 0.39 N ATOM 838 CA LYS A 54 13.438 28.561 8.277 1.00 0.74 C ATOM 839 C LYS A 54 13.495 28.155 6.782 1.00 0.57 C ATOM 840 O LYS A 54 13.650 26.987 6.449 1.00 0.52 O ATOM 841 CB LYS A 54 11.935 28.649 8.717 1.00 1.43 C ATOM 842 CG LYS A 54 11.719 28.178 10.190 1.00 3.15 C ATOM 843 CD LYS A 54 11.590 29.419 11.095 1.00 5.39 C ATOM 844 CE LYS A 54 10.111 29.847 11.047 1.00 5.85 C ATOM 845 NZ LYS A 54 9.976 31.216 11.612 1.00 7.90 N ATOM 0 H LYS A 54 13.593 30.578 9.007 1.00 0.39 H new ATOM 0 HA LYS A 54 13.953 27.810 8.876 1.00 0.74 H new ATOM 0 HB2 LYS A 54 11.588 29.677 8.612 1.00 1.43 H new ATOM 0 HB3 LYS A 54 11.327 28.038 8.050 1.00 1.43 H new ATOM 0 HG2 LYS A 54 10.822 27.564 10.262 1.00 3.15 H new ATOM 0 HG3 LYS A 54 12.556 27.559 10.515 1.00 3.15 H new ATOM 0 HD2 LYS A 54 11.893 29.187 12.116 1.00 5.39 H new ATOM 0 HD3 LYS A 54 12.238 30.223 10.745 1.00 5.39 H new ATOM 0 HE2 LYS A 54 9.748 29.828 10.019 1.00 5.85 H new ATOM 0 HE3 LYS A 54 9.499 29.145 11.614 1.00 5.85 H new ATOM 0 HZ1 LYS A 54 9.184 31.237 12.285 1.00 7.90 H new ATOM 0 HZ2 LYS A 54 10.855 31.477 12.103 1.00 7.90 H new ATOM 0 HZ3 LYS A 54 9.795 31.893 10.843 1.00 7.90 H new ATOM 859 N TRP A 55 13.366 29.139 5.914 1.00 0.67 N ATOM 860 CA TRP A 55 13.407 28.808 4.457 1.00 0.83 C ATOM 861 C TRP A 55 14.770 28.227 4.127 1.00 0.71 C ATOM 862 O TRP A 55 14.911 27.098 3.701 1.00 0.68 O ATOM 863 CB TRP A 55 13.196 30.064 3.554 1.00 0.98 C ATOM 864 CG TRP A 55 12.944 29.558 2.102 1.00 1.13 C ATOM 865 CD1 TRP A 55 11.718 29.295 1.531 1.00 1.26 C ATOM 866 CD2 TRP A 55 13.912 29.258 1.196 1.00 1.18 C ATOM 867 NE1 TRP A 55 12.034 28.850 0.326 1.00 1.37 N ATOM 868 CE2 TRP A 55 13.310 28.795 0.031 1.00 1.34 C ATOM 869 CE3 TRP A 55 15.304 29.326 1.237 1.00 1.13 C ATOM 870 CZ2 TRP A 55 14.050 28.412 -1.074 1.00 1.41 C ATOM 871 CZ3 TRP A 55 16.063 28.941 0.139 1.00 1.24 C ATOM 872 CH2 TRP A 55 15.443 28.482 -1.022 1.00 1.38 C ATOM 0 H TRP A 55 13.238 30.124 6.146 1.00 0.67 H new ATOM 0 HA TRP A 55 12.600 28.102 4.261 1.00 0.83 H new ATOM 0 HB2 TRP A 55 12.350 30.653 3.907 1.00 0.98 H new ATOM 0 HB3 TRP A 55 14.072 30.712 3.588 1.00 0.98 H new ATOM 0 HD1 TRP A 55 10.736 29.422 1.963 1.00 1.26 H new ATOM 0 HE1 TRP A 55 11.319 28.563 -0.342 1.00 1.37 H new ATOM 0 HE3 TRP A 55 15.796 29.681 2.130 1.00 1.13 H new ATOM 0 HZ2 TRP A 55 13.555 28.062 -1.968 1.00 1.41 H new ATOM 0 HZ3 TRP A 55 17.141 28.998 0.185 1.00 1.24 H new ATOM 0 HH2 TRP A 55 16.035 28.183 -1.874 1.00 1.38 H new ATOM 883 N ASP A 56 15.751 29.037 4.366 1.00 0.66 N ATOM 884 CA ASP A 56 17.148 28.604 4.086 1.00 0.71 C ATOM 885 C ASP A 56 17.465 27.288 4.802 1.00 0.54 C ATOM 886 O ASP A 56 18.027 26.385 4.226 1.00 0.58 O ATOM 887 CB ASP A 56 18.060 29.769 4.518 1.00 0.76 C ATOM 888 CG ASP A 56 18.116 30.735 3.349 1.00 0.98 C ATOM 889 OD1 ASP A 56 18.562 30.292 2.303 1.00 1.84 O ATOM 890 OD2 ASP A 56 17.726 31.874 3.478 1.00 2.32 O ATOM 0 H ASP A 56 15.653 29.980 4.742 1.00 0.66 H new ATOM 0 HA ASP A 56 17.306 28.392 3.028 1.00 0.71 H new ATOM 0 HB2 ASP A 56 17.665 30.260 5.407 1.00 0.76 H new ATOM 0 HB3 ASP A 56 19.057 29.407 4.769 1.00 0.76 H new ATOM 895 N ALA A 57 17.073 27.202 6.035 1.00 0.38 N ATOM 896 CA ALA A 57 17.290 26.003 6.882 1.00 0.25 C ATOM 897 C ALA A 57 16.666 24.791 6.156 1.00 0.23 C ATOM 898 O ALA A 57 17.183 23.694 6.192 1.00 0.28 O ATOM 899 CB ALA A 57 16.631 26.307 8.229 1.00 0.14 C ATOM 0 H ALA A 57 16.584 27.957 6.516 1.00 0.38 H new ATOM 0 HA ALA A 57 18.340 25.765 7.054 1.00 0.25 H new ATOM 0 HB1 ALA A 57 16.759 25.455 8.897 1.00 0.14 H new ATOM 0 HB2 ALA A 57 17.096 27.188 8.671 1.00 0.14 H new ATOM 0 HB3 ALA A 57 15.568 26.494 8.080 1.00 0.14 H new ATOM 905 N TRP A 58 15.552 24.994 5.499 1.00 0.23 N ATOM 906 CA TRP A 58 14.959 23.833 4.788 1.00 0.24 C ATOM 907 C TRP A 58 15.803 23.684 3.497 1.00 0.33 C ATOM 908 O TRP A 58 16.236 22.594 3.200 1.00 0.34 O ATOM 909 CB TRP A 58 13.508 24.148 4.501 1.00 0.35 C ATOM 910 CG TRP A 58 12.906 23.021 3.637 1.00 0.35 C ATOM 911 CD1 TRP A 58 13.431 21.776 3.364 1.00 0.29 C ATOM 912 CD2 TRP A 58 11.732 23.147 2.998 1.00 0.39 C ATOM 913 NE1 TRP A 58 12.505 21.262 2.569 1.00 0.28 N ATOM 914 CE2 TRP A 58 11.452 21.999 2.284 1.00 0.34 C ATOM 915 CE3 TRP A 58 10.844 24.215 2.981 1.00 0.48 C ATOM 916 CZ2 TRP A 58 10.282 21.906 1.539 1.00 0.37 C ATOM 917 CZ3 TRP A 58 9.670 24.131 2.242 1.00 0.51 C ATOM 918 CH2 TRP A 58 9.392 22.977 1.517 1.00 0.46 C ATOM 0 H TRP A 58 15.048 25.878 5.427 1.00 0.23 H new ATOM 0 HA TRP A 58 14.975 22.902 5.355 1.00 0.24 H new ATOM 0 HB2 TRP A 58 12.953 24.243 5.434 1.00 0.35 H new ATOM 0 HB3 TRP A 58 13.426 25.103 3.982 1.00 0.35 H new ATOM 0 HD1 TRP A 58 14.355 21.335 3.708 1.00 0.29 H new ATOM 0 HE1 TRP A 58 12.605 20.321 2.188 1.00 0.28 H new ATOM 0 HE3 TRP A 58 11.066 25.111 3.542 1.00 0.48 H new ATOM 0 HZ2 TRP A 58 10.064 21.008 0.980 1.00 0.37 H new ATOM 0 HZ3 TRP A 58 8.976 24.959 2.231 1.00 0.51 H new ATOM 0 HH2 TRP A 58 8.484 22.911 0.936 1.00 0.46 H new ATOM 929 N ASN A 59 16.031 24.748 2.778 1.00 0.40 N ATOM 930 CA ASN A 59 16.845 24.708 1.509 1.00 0.50 C ATOM 931 C ASN A 59 18.174 23.952 1.679 1.00 0.55 C ATOM 932 O ASN A 59 18.574 23.199 0.821 1.00 0.62 O ATOM 933 CB ASN A 59 17.082 26.164 1.091 1.00 0.66 C ATOM 934 CG ASN A 59 18.243 26.296 0.132 1.00 1.01 C ATOM 935 OD1 ASN A 59 18.319 25.657 -0.897 1.00 1.05 O ATOM 936 ND2 ASN A 59 19.178 27.130 0.451 1.00 1.41 N ATOM 0 H ASN A 59 15.680 25.675 3.017 1.00 0.40 H new ATOM 0 HA ASN A 59 16.303 24.159 0.739 1.00 0.50 H new ATOM 0 HB2 ASN A 59 16.180 26.559 0.624 1.00 0.66 H new ATOM 0 HB3 ASN A 59 17.273 26.769 1.977 1.00 0.66 H new ATOM 0 HD21 ASN A 59 19.983 27.253 -0.163 1.00 1.41 H new ATOM 0 HD22 ASN A 59 19.110 27.665 1.317 1.00 1.41 H new ATOM 943 N GLU A 60 18.797 24.223 2.782 1.00 0.54 N ATOM 944 CA GLU A 60 20.083 23.601 3.167 1.00 0.67 C ATOM 945 C GLU A 60 19.947 22.065 3.005 1.00 0.64 C ATOM 946 O GLU A 60 20.854 21.357 2.617 1.00 0.81 O ATOM 947 CB GLU A 60 20.338 24.032 4.615 1.00 0.67 C ATOM 948 CG GLU A 60 21.581 23.279 5.188 1.00 0.76 C ATOM 949 CD GLU A 60 21.300 22.465 6.466 1.00 1.35 C ATOM 950 OE1 GLU A 60 20.281 22.694 7.104 1.00 1.31 O ATOM 951 OE2 GLU A 60 22.172 21.652 6.732 1.00 2.44 O ATOM 0 H GLU A 60 18.445 24.889 3.470 1.00 0.54 H new ATOM 0 HA GLU A 60 20.926 23.909 2.548 1.00 0.67 H new ATOM 0 HB2 GLU A 60 20.503 25.109 4.658 1.00 0.67 H new ATOM 0 HB3 GLU A 60 19.461 23.819 5.226 1.00 0.67 H new ATOM 0 HG2 GLU A 60 21.968 22.607 4.422 1.00 0.76 H new ATOM 0 HG3 GLU A 60 22.365 24.006 5.400 1.00 0.76 H new ATOM 958 N LEU A 61 18.761 21.621 3.305 1.00 0.45 N ATOM 959 CA LEU A 61 18.380 20.187 3.243 1.00 0.39 C ATOM 960 C LEU A 61 17.705 19.805 1.922 1.00 0.39 C ATOM 961 O LEU A 61 17.371 18.651 1.745 1.00 0.53 O ATOM 962 CB LEU A 61 17.410 19.881 4.395 1.00 0.35 C ATOM 963 CG LEU A 61 17.877 20.445 5.744 1.00 0.49 C ATOM 964 CD1 LEU A 61 16.801 20.066 6.756 1.00 0.58 C ATOM 965 CD2 LEU A 61 19.193 19.773 6.176 1.00 0.68 C ATOM 0 H LEU A 61 18.001 22.230 3.607 1.00 0.45 H new ATOM 0 HA LEU A 61 19.298 19.605 3.323 1.00 0.39 H new ATOM 0 HB2 LEU A 61 16.430 20.294 4.156 1.00 0.35 H new ATOM 0 HB3 LEU A 61 17.289 18.801 4.482 1.00 0.35 H new ATOM 0 HG LEU A 61 18.036 21.521 5.677 1.00 0.49 H new ATOM 0 HD11 LEU A 61 17.079 20.442 7.741 1.00 0.58 H new ATOM 0 HD12 LEU A 61 15.849 20.504 6.456 1.00 0.58 H new ATOM 0 HD13 LEU A 61 16.705 18.981 6.796 1.00 0.58 H new ATOM 0 HD21 LEU A 61 19.513 20.182 7.134 1.00 0.68 H new ATOM 0 HD22 LEU A 61 19.038 18.699 6.274 1.00 0.68 H new ATOM 0 HD23 LEU A 61 19.961 19.962 5.426 1.00 0.68 H new ATOM 977 N LYS A 62 17.530 20.733 1.026 1.00 0.35 N ATOM 978 CA LYS A 62 16.864 20.473 -0.279 1.00 0.37 C ATOM 979 C LYS A 62 16.817 19.071 -0.854 1.00 0.50 C ATOM 980 O LYS A 62 15.786 18.666 -1.322 1.00 0.57 O ATOM 981 CB LYS A 62 17.456 21.479 -1.352 1.00 0.44 C ATOM 982 CG LYS A 62 16.603 21.305 -2.650 1.00 0.58 C ATOM 983 CD LYS A 62 17.239 21.824 -3.950 1.00 1.30 C ATOM 984 CE LYS A 62 16.255 21.513 -5.122 1.00 3.17 C ATOM 985 NZ LYS A 62 16.004 20.029 -5.187 1.00 4.02 N ATOM 0 H LYS A 62 17.834 21.699 1.150 1.00 0.35 H new ATOM 0 HA LYS A 62 15.812 20.627 -0.041 1.00 0.37 H new ATOM 0 HB2 LYS A 62 17.404 22.506 -0.990 1.00 0.44 H new ATOM 0 HB3 LYS A 62 18.506 21.263 -1.547 1.00 0.44 H new ATOM 0 HG2 LYS A 62 16.381 20.245 -2.776 1.00 0.58 H new ATOM 0 HG3 LYS A 62 15.651 21.815 -2.506 1.00 0.58 H new ATOM 0 HD2 LYS A 62 17.425 22.896 -3.882 1.00 1.30 H new ATOM 0 HD3 LYS A 62 18.202 21.343 -4.122 1.00 1.30 H new ATOM 0 HE2 LYS A 62 15.316 22.045 -4.973 1.00 3.17 H new ATOM 0 HE3 LYS A 62 16.674 21.863 -6.065 1.00 3.17 H new ATOM 0 HZ1 LYS A 62 16.321 19.663 -6.107 1.00 4.02 H new ATOM 0 HZ2 LYS A 62 16.530 19.554 -4.426 1.00 4.02 H new ATOM 0 HZ3 LYS A 62 14.987 19.844 -5.073 1.00 4.02 H new ATOM 999 N GLY A 63 17.843 18.301 -0.843 1.00 0.57 N ATOM 1000 CA GLY A 63 17.774 16.897 -1.432 1.00 0.79 C ATOM 1001 C GLY A 63 17.875 15.816 -0.338 1.00 0.76 C ATOM 1002 O GLY A 63 18.340 14.707 -0.522 1.00 0.90 O ATOM 0 H GLY A 63 18.751 18.557 -0.454 1.00 0.57 H new ATOM 0 HA2 GLY A 63 16.838 16.777 -1.978 1.00 0.79 H new ATOM 0 HA3 GLY A 63 18.582 16.764 -2.151 1.00 0.79 H new ATOM 1006 N THR A 64 17.408 16.210 0.805 1.00 0.77 N ATOM 1007 CA THR A 64 17.403 15.317 1.999 1.00 0.96 C ATOM 1008 C THR A 64 16.231 14.359 1.899 1.00 1.39 C ATOM 1009 O THR A 64 15.106 14.704 2.214 1.00 2.67 O ATOM 1010 CB THR A 64 17.238 16.101 3.299 1.00 0.94 C ATOM 1011 OG1 THR A 64 18.389 16.910 3.407 1.00 0.83 O ATOM 1012 CG2 THR A 64 17.476 15.169 4.465 1.00 1.05 C ATOM 0 H THR A 64 17.018 17.138 0.971 1.00 0.77 H new ATOM 0 HA THR A 64 18.359 14.793 2.016 1.00 0.96 H new ATOM 0 HB THR A 64 16.269 16.600 3.302 1.00 0.94 H new ATOM 0 HG1 THR A 64 18.439 17.512 2.636 1.00 0.83 H new ATOM 0 HG21 THR A 64 17.361 15.718 5.399 1.00 1.05 H new ATOM 0 HG22 THR A 64 16.754 14.353 4.432 1.00 1.05 H new ATOM 0 HG23 THR A 64 18.485 14.762 4.405 1.00 1.05 H new ATOM 1020 N SER A 65 16.575 13.206 1.410 1.00 0.51 N ATOM 1021 CA SER A 65 15.608 12.074 1.219 1.00 0.57 C ATOM 1022 C SER A 65 14.591 12.035 2.376 1.00 0.43 C ATOM 1023 O SER A 65 14.974 11.983 3.533 1.00 0.45 O ATOM 1024 CB SER A 65 16.433 10.764 1.129 1.00 0.55 C ATOM 1025 OG SER A 65 17.086 10.876 -0.136 1.00 0.89 O ATOM 0 H SER A 65 17.527 12.985 1.120 1.00 0.51 H new ATOM 0 HA SER A 65 15.031 12.203 0.303 1.00 0.57 H new ATOM 0 HB2 SER A 65 17.150 10.682 1.946 1.00 0.55 H new ATOM 0 HB3 SER A 65 15.794 9.882 1.176 1.00 0.55 H new ATOM 0 HG SER A 65 17.643 10.084 -0.288 1.00 0.89 H new ATOM 1031 N LYS A 66 13.318 12.071 2.044 1.00 0.49 N ATOM 1032 CA LYS A 66 12.241 12.043 3.084 1.00 0.64 C ATOM 1033 C LYS A 66 12.602 11.234 4.336 1.00 0.46 C ATOM 1034 O LYS A 66 12.418 11.703 5.434 1.00 0.41 O ATOM 1035 CB LYS A 66 10.963 11.498 2.391 1.00 0.83 C ATOM 1036 CG LYS A 66 11.206 10.082 1.783 1.00 0.79 C ATOM 1037 CD LYS A 66 10.136 9.729 0.709 1.00 1.34 C ATOM 1038 CE LYS A 66 8.772 9.341 1.296 1.00 2.42 C ATOM 1039 NZ LYS A 66 8.166 10.529 1.970 1.00 3.40 N ATOM 0 H LYS A 66 12.979 12.119 1.083 1.00 0.49 H new ATOM 0 HA LYS A 66 12.087 13.052 3.465 1.00 0.64 H new ATOM 0 HB2 LYS A 66 10.148 11.451 3.113 1.00 0.83 H new ATOM 0 HB3 LYS A 66 10.653 12.185 1.604 1.00 0.83 H new ATOM 0 HG2 LYS A 66 12.199 10.043 1.335 1.00 0.79 H new ATOM 0 HG3 LYS A 66 11.185 9.336 2.577 1.00 0.79 H new ATOM 0 HD2 LYS A 66 10.005 10.584 0.045 1.00 1.34 H new ATOM 0 HD3 LYS A 66 10.506 8.905 0.099 1.00 1.34 H new ATOM 0 HE2 LYS A 66 8.113 8.982 0.506 1.00 2.42 H new ATOM 0 HE3 LYS A 66 8.889 8.525 2.009 1.00 2.42 H new ATOM 0 HZ1 LYS A 66 7.138 10.530 1.814 1.00 3.40 H new ATOM 0 HZ2 LYS A 66 8.361 10.486 2.991 1.00 3.40 H new ATOM 0 HZ3 LYS A 66 8.577 11.399 1.575 1.00 3.40 H new ATOM 1053 N GLU A 67 13.114 10.056 4.122 1.00 0.40 N ATOM 1054 CA GLU A 67 13.511 9.161 5.232 1.00 0.39 C ATOM 1055 C GLU A 67 14.525 9.810 6.192 1.00 0.28 C ATOM 1056 O GLU A 67 14.316 9.746 7.392 1.00 0.39 O ATOM 1057 CB GLU A 67 14.037 7.862 4.520 1.00 0.51 C ATOM 1058 CG GLU A 67 12.877 6.816 4.175 1.00 1.45 C ATOM 1059 CD GLU A 67 12.705 5.732 5.255 1.00 3.06 C ATOM 1060 OE1 GLU A 67 13.563 4.866 5.354 1.00 4.17 O ATOM 1061 OE2 GLU A 67 11.717 5.802 5.970 1.00 4.26 O ATOM 0 H GLU A 67 13.277 9.669 3.193 1.00 0.40 H new ATOM 0 HA GLU A 67 12.679 8.932 5.897 1.00 0.39 H new ATOM 0 HB2 GLU A 67 14.549 8.143 3.600 1.00 0.51 H new ATOM 0 HB3 GLU A 67 14.774 7.378 5.161 1.00 0.51 H new ATOM 0 HG2 GLU A 67 11.936 7.352 4.053 1.00 1.45 H new ATOM 0 HG3 GLU A 67 13.098 6.338 3.220 1.00 1.45 H new ATOM 1068 N ASP A 68 15.570 10.416 5.688 1.00 0.14 N ATOM 1069 CA ASP A 68 16.572 11.053 6.575 1.00 0.37 C ATOM 1070 C ASP A 68 15.894 12.090 7.462 1.00 0.24 C ATOM 1071 O ASP A 68 16.026 12.110 8.668 1.00 0.31 O ATOM 1072 CB ASP A 68 17.604 11.606 5.605 1.00 0.62 C ATOM 1073 CG ASP A 68 18.315 10.405 4.981 1.00 1.18 C ATOM 1074 OD1 ASP A 68 17.711 9.818 4.100 1.00 1.20 O ATOM 1075 OD2 ASP A 68 19.412 10.133 5.429 1.00 1.82 O ATOM 0 H ASP A 68 15.768 10.494 4.690 1.00 0.14 H new ATOM 0 HA ASP A 68 17.054 10.384 7.288 1.00 0.37 H new ATOM 0 HB2 ASP A 68 17.125 12.213 4.837 1.00 0.62 H new ATOM 0 HB3 ASP A 68 18.315 12.249 6.123 1.00 0.62 H new ATOM 1080 N ALA A 69 15.165 12.928 6.790 1.00 0.11 N ATOM 1081 CA ALA A 69 14.415 14.015 7.486 1.00 0.13 C ATOM 1082 C ALA A 69 13.450 13.370 8.493 1.00 0.12 C ATOM 1083 O ALA A 69 13.525 13.682 9.666 1.00 0.27 O ATOM 1084 CB ALA A 69 13.688 14.816 6.425 1.00 0.18 C ATOM 0 H ALA A 69 15.052 12.910 5.776 1.00 0.11 H new ATOM 0 HA ALA A 69 15.071 14.686 8.040 1.00 0.13 H new ATOM 0 HB1 ALA A 69 13.127 15.622 6.898 1.00 0.18 H new ATOM 0 HB2 ALA A 69 14.412 15.238 5.728 1.00 0.18 H new ATOM 0 HB3 ALA A 69 13.001 14.165 5.884 1.00 0.18 H new ATOM 1090 N MET A 70 12.596 12.501 8.008 1.00 0.04 N ATOM 1091 CA MET A 70 11.613 11.784 8.836 1.00 0.04 C ATOM 1092 C MET A 70 12.257 11.285 10.130 1.00 0.10 C ATOM 1093 O MET A 70 11.864 11.643 11.221 1.00 0.15 O ATOM 1094 CB MET A 70 11.110 10.645 7.959 1.00 0.04 C ATOM 1095 CG MET A 70 10.001 11.100 7.010 1.00 0.20 C ATOM 1096 SD MET A 70 9.183 9.817 6.031 1.00 0.39 S ATOM 1097 CE MET A 70 8.293 9.028 7.398 1.00 2.72 C ATOM 0 H MET A 70 12.551 12.258 7.018 1.00 0.04 H new ATOM 0 HA MET A 70 10.788 12.422 9.154 1.00 0.04 H new ATOM 0 HB2 MET A 70 11.940 10.240 7.379 1.00 0.04 H new ATOM 0 HB3 MET A 70 10.738 9.838 8.591 1.00 0.04 H new ATOM 0 HG2 MET A 70 9.241 11.614 7.598 1.00 0.20 H new ATOM 0 HG3 MET A 70 10.422 11.834 6.323 1.00 0.20 H new ATOM 0 HE1 MET A 70 7.614 8.272 7.002 1.00 2.72 H new ATOM 0 HE2 MET A 70 9.007 8.557 8.073 1.00 2.72 H new ATOM 0 HE3 MET A 70 7.721 9.780 7.942 1.00 2.72 H new ATOM 1107 N LYS A 71 13.256 10.473 9.932 1.00 0.10 N ATOM 1108 CA LYS A 71 14.014 9.867 11.046 1.00 0.11 C ATOM 1109 C LYS A 71 14.702 10.928 11.906 1.00 0.08 C ATOM 1110 O LYS A 71 14.406 10.997 13.078 1.00 0.14 O ATOM 1111 CB LYS A 71 15.005 8.897 10.414 1.00 0.34 C ATOM 1112 CG LYS A 71 14.156 7.839 9.678 1.00 0.76 C ATOM 1113 CD LYS A 71 15.076 6.989 8.799 1.00 1.25 C ATOM 1114 CE LYS A 71 14.271 6.494 7.613 1.00 3.25 C ATOM 1115 NZ LYS A 71 13.138 5.621 8.056 1.00 5.84 N ATOM 0 H LYS A 71 13.585 10.198 9.006 1.00 0.10 H new ATOM 0 HA LYS A 71 13.351 9.339 11.731 1.00 0.11 H new ATOM 0 HB2 LYS A 71 15.669 9.414 9.722 1.00 0.34 H new ATOM 0 HB3 LYS A 71 15.634 8.433 11.173 1.00 0.34 H new ATOM 0 HG2 LYS A 71 13.633 7.208 10.397 1.00 0.76 H new ATOM 0 HG3 LYS A 71 13.395 8.325 9.068 1.00 0.76 H new ATOM 0 HD2 LYS A 71 15.929 7.577 8.461 1.00 1.25 H new ATOM 0 HD3 LYS A 71 15.474 6.148 9.367 1.00 1.25 H new ATOM 0 HE2 LYS A 71 13.881 7.345 7.054 1.00 3.25 H new ATOM 0 HE3 LYS A 71 14.920 5.938 6.936 1.00 3.25 H new ATOM 0 HZ1 LYS A 71 13.373 4.625 7.869 1.00 5.84 H new ATOM 0 HZ2 LYS A 71 12.976 5.753 9.075 1.00 5.84 H new ATOM 0 HZ3 LYS A 71 12.277 5.877 7.532 1.00 5.84 H new ATOM 1129 N ALA A 72 15.572 11.738 11.353 1.00 0.09 N ATOM 1130 CA ALA A 72 16.258 12.782 12.174 1.00 0.15 C ATOM 1131 C ALA A 72 15.232 13.596 12.989 1.00 0.20 C ATOM 1132 O ALA A 72 15.426 13.922 14.141 1.00 0.35 O ATOM 1133 CB ALA A 72 17.037 13.649 11.190 1.00 0.29 C ATOM 0 H ALA A 72 15.836 11.720 10.368 1.00 0.09 H new ATOM 0 HA ALA A 72 16.934 12.344 12.908 1.00 0.15 H new ATOM 0 HB1 ALA A 72 17.562 14.434 11.734 1.00 0.29 H new ATOM 0 HB2 ALA A 72 17.759 13.033 10.655 1.00 0.29 H new ATOM 0 HB3 ALA A 72 16.347 14.100 10.477 1.00 0.29 H new ATOM 1139 N TYR A 73 14.152 13.894 12.324 1.00 0.18 N ATOM 1140 CA TYR A 73 13.044 14.666 12.941 1.00 0.18 C ATOM 1141 C TYR A 73 12.548 13.839 14.138 1.00 0.17 C ATOM 1142 O TYR A 73 12.533 14.352 15.239 1.00 0.19 O ATOM 1143 CB TYR A 73 11.981 14.837 11.860 1.00 0.18 C ATOM 1144 CG TYR A 73 10.852 15.755 12.291 1.00 0.24 C ATOM 1145 CD1 TYR A 73 9.731 15.270 12.937 1.00 0.26 C ATOM 1146 CD2 TYR A 73 10.953 17.099 12.021 1.00 0.29 C ATOM 1147 CE1 TYR A 73 8.727 16.137 13.302 1.00 0.31 C ATOM 1148 CE2 TYR A 73 9.951 17.953 12.385 1.00 0.33 C ATOM 1149 CZ TYR A 73 8.832 17.478 13.030 1.00 0.34 C ATOM 1150 OH TYR A 73 7.833 18.344 13.410 1.00 0.40 O ATOM 0 H TYR A 73 13.989 13.626 11.353 1.00 0.18 H new ATOM 0 HA TYR A 73 13.329 15.654 13.302 1.00 0.18 H new ATOM 0 HB2 TYR A 73 12.446 15.237 10.959 1.00 0.18 H new ATOM 0 HB3 TYR A 73 11.571 13.861 11.601 1.00 0.18 H new ATOM 0 HD1 TYR A 73 9.643 14.216 13.154 1.00 0.26 H new ATOM 0 HD2 TYR A 73 11.829 17.482 11.519 1.00 0.29 H new ATOM 0 HE1 TYR A 73 7.850 15.759 13.806 1.00 0.31 H new ATOM 0 HE2 TYR A 73 10.037 19.007 12.165 1.00 0.33 H new ATOM 0 HH TYR A 73 7.688 19.007 12.703 1.00 0.40 H new ATOM 1160 N ILE A 74 12.167 12.608 13.862 1.00 0.13 N ATOM 1161 CA ILE A 74 11.666 11.688 14.948 1.00 0.14 C ATOM 1162 C ILE A 74 12.583 11.836 16.165 1.00 0.15 C ATOM 1163 O ILE A 74 12.114 12.105 17.255 1.00 0.08 O ATOM 1164 CB ILE A 74 11.673 10.197 14.463 1.00 0.36 C ATOM 1165 CG1 ILE A 74 10.515 9.931 13.436 1.00 0.55 C ATOM 1166 CG2 ILE A 74 11.493 9.294 15.718 1.00 0.54 C ATOM 1167 CD1 ILE A 74 9.189 9.847 14.129 1.00 2.12 C ATOM 0 H ILE A 74 12.181 12.198 12.928 1.00 0.13 H new ATOM 0 HA ILE A 74 10.641 11.956 15.205 1.00 0.14 H new ATOM 0 HB ILE A 74 12.613 9.976 13.957 1.00 0.36 H new ATOM 0 HG12 ILE A 74 10.492 10.730 12.695 1.00 0.55 H new ATOM 0 HG13 ILE A 74 10.707 9.003 12.898 1.00 0.55 H new ATOM 0 HG21 ILE A 74 11.493 8.247 15.416 1.00 0.54 H new ATOM 0 HG22 ILE A 74 12.313 9.471 16.414 1.00 0.54 H new ATOM 0 HG23 ILE A 74 10.547 9.531 16.204 1.00 0.54 H new ATOM 0 HD11 ILE A 74 8.405 9.662 13.394 1.00 2.12 H new ATOM 0 HD12 ILE A 74 9.208 9.032 14.852 1.00 2.12 H new ATOM 0 HD13 ILE A 74 8.988 10.786 14.645 1.00 2.12 H new ATOM 1179 N ASP A 75 13.854 11.657 15.913 1.00 0.28 N ATOM 1180 CA ASP A 75 14.870 11.772 16.981 1.00 0.39 C ATOM 1181 C ASP A 75 14.708 13.141 17.660 1.00 0.39 C ATOM 1182 O ASP A 75 14.317 13.230 18.801 1.00 0.45 O ATOM 1183 CB ASP A 75 16.196 11.578 16.259 1.00 0.52 C ATOM 1184 CG ASP A 75 16.398 10.133 15.816 1.00 0.57 C ATOM 1185 OD1 ASP A 75 15.437 9.525 15.375 1.00 1.66 O ATOM 1186 OD2 ASP A 75 17.531 9.711 15.934 1.00 2.12 O ATOM 0 H ASP A 75 14.229 11.432 14.992 1.00 0.28 H new ATOM 0 HA ASP A 75 14.786 11.041 17.785 1.00 0.39 H new ATOM 0 HB2 ASP A 75 16.234 12.233 15.389 1.00 0.52 H new ATOM 0 HB3 ASP A 75 17.014 11.874 16.916 1.00 0.52 H new ATOM 1191 N LYS A 76 15.012 14.167 16.906 1.00 0.37 N ATOM 1192 CA LYS A 76 14.910 15.575 17.404 1.00 0.44 C ATOM 1193 C LYS A 76 13.738 15.730 18.372 1.00 0.28 C ATOM 1194 O LYS A 76 13.875 16.211 19.480 1.00 0.27 O ATOM 1195 CB LYS A 76 14.728 16.515 16.197 1.00 0.69 C ATOM 1196 CG LYS A 76 15.867 17.522 16.193 1.00 0.98 C ATOM 1197 CD LYS A 76 17.196 16.769 15.880 1.00 2.05 C ATOM 1198 CE LYS A 76 18.290 17.784 15.660 1.00 2.10 C ATOM 1199 NZ LYS A 76 18.518 18.499 16.940 1.00 1.50 N ATOM 0 H LYS A 76 15.335 14.086 15.942 1.00 0.37 H new ATOM 0 HA LYS A 76 15.822 15.831 17.943 1.00 0.44 H new ATOM 0 HB2 LYS A 76 14.725 15.943 15.269 1.00 0.69 H new ATOM 0 HB3 LYS A 76 13.769 17.029 16.258 1.00 0.69 H new ATOM 0 HG2 LYS A 76 15.686 18.295 15.447 1.00 0.98 H new ATOM 0 HG3 LYS A 76 15.934 18.021 17.160 1.00 0.98 H new ATOM 0 HD2 LYS A 76 17.457 16.106 16.705 1.00 2.05 H new ATOM 0 HD3 LYS A 76 17.077 16.145 14.994 1.00 2.05 H new ATOM 0 HE2 LYS A 76 19.205 17.292 15.330 1.00 2.10 H new ATOM 0 HE3 LYS A 76 18.006 18.487 14.877 1.00 2.10 H new ATOM 0 HZ1 LYS A 76 18.506 19.525 16.771 1.00 1.50 H new ATOM 0 HZ2 LYS A 76 17.767 18.251 17.615 1.00 1.50 H new ATOM 0 HZ3 LYS A 76 19.441 18.223 17.332 1.00 1.50 H new ATOM 1213 N VAL A 77 12.598 15.295 17.915 1.00 0.25 N ATOM 1214 CA VAL A 77 11.365 15.377 18.748 1.00 0.39 C ATOM 1215 C VAL A 77 11.550 14.463 19.992 1.00 0.41 C ATOM 1216 O VAL A 77 11.304 14.920 21.095 1.00 0.51 O ATOM 1217 CB VAL A 77 10.209 14.960 17.825 1.00 0.38 C ATOM 1218 CG1 VAL A 77 8.918 15.025 18.637 1.00 0.36 C ATOM 1219 CG2 VAL A 77 10.114 15.990 16.643 1.00 0.37 C ATOM 0 H VAL A 77 12.466 14.882 16.992 1.00 0.25 H new ATOM 0 HA VAL A 77 11.154 16.372 19.139 1.00 0.39 H new ATOM 0 HB VAL A 77 10.368 13.956 17.432 1.00 0.38 H new ATOM 0 HG11 VAL A 77 8.077 14.734 18.007 1.00 0.36 H new ATOM 0 HG12 VAL A 77 8.988 14.346 19.486 1.00 0.36 H new ATOM 0 HG13 VAL A 77 8.766 16.042 18.998 1.00 0.36 H new ATOM 0 HG21 VAL A 77 9.297 15.707 15.979 1.00 0.37 H new ATOM 0 HG22 VAL A 77 9.928 16.987 17.043 1.00 0.37 H new ATOM 0 HG23 VAL A 77 11.051 15.992 16.086 1.00 0.37 H new ATOM 1229 N GLU A 78 11.947 13.230 19.784 1.00 0.35 N ATOM 1230 CA GLU A 78 12.189 12.259 20.902 1.00 0.53 C ATOM 1231 C GLU A 78 13.013 13.066 21.943 1.00 0.31 C ATOM 1232 O GLU A 78 12.615 13.133 23.096 1.00 0.25 O ATOM 1233 CB GLU A 78 12.972 11.030 20.309 1.00 0.74 C ATOM 1234 CG GLU A 78 12.041 9.766 20.148 1.00 1.78 C ATOM 1235 CD GLU A 78 11.903 9.096 21.480 1.00 0.42 C ATOM 1236 OE1 GLU A 78 12.721 8.267 21.842 1.00 1.53 O ATOM 1237 OE2 GLU A 78 10.956 9.451 22.149 1.00 2.26 O ATOM 0 H GLU A 78 12.119 12.844 18.856 1.00 0.35 H new ATOM 0 HA GLU A 78 11.290 11.859 21.371 1.00 0.53 H new ATOM 0 HB2 GLU A 78 13.391 11.299 19.339 1.00 0.74 H new ATOM 0 HB3 GLU A 78 13.810 10.784 20.961 1.00 0.74 H new ATOM 0 HG2 GLU A 78 11.062 10.064 19.772 1.00 1.78 H new ATOM 0 HG3 GLU A 78 12.466 9.075 19.420 1.00 1.78 H new ATOM 1244 N GLU A 79 14.106 13.680 21.521 1.00 0.25 N ATOM 1245 CA GLU A 79 14.958 14.490 22.466 1.00 0.26 C ATOM 1246 C GLU A 79 14.049 15.533 23.121 1.00 0.26 C ATOM 1247 O GLU A 79 13.846 15.553 24.321 1.00 0.29 O ATOM 1248 CB GLU A 79 16.101 15.286 21.723 1.00 0.57 C ATOM 1249 CG GLU A 79 17.306 14.420 21.289 1.00 0.97 C ATOM 1250 CD GLU A 79 16.876 13.247 20.420 1.00 1.70 C ATOM 1251 OE1 GLU A 79 16.382 12.301 21.011 1.00 3.17 O ATOM 1252 OE2 GLU A 79 17.083 13.419 19.233 1.00 2.19 O ATOM 0 H GLU A 79 14.444 13.654 20.559 1.00 0.25 H new ATOM 0 HA GLU A 79 15.419 13.803 23.175 1.00 0.26 H new ATOM 0 HB2 GLU A 79 15.678 15.766 20.841 1.00 0.57 H new ATOM 0 HB3 GLU A 79 16.458 16.081 22.378 1.00 0.57 H new ATOM 0 HG2 GLU A 79 18.018 15.037 20.740 1.00 0.97 H new ATOM 0 HG3 GLU A 79 17.823 14.047 22.173 1.00 0.97 H new ATOM 1259 N LEU A 80 13.527 16.390 22.280 1.00 0.24 N ATOM 1260 CA LEU A 80 12.628 17.453 22.788 1.00 0.32 C ATOM 1261 C LEU A 80 11.655 17.040 23.826 1.00 0.34 C ATOM 1262 O LEU A 80 11.642 17.569 24.905 1.00 0.39 O ATOM 1263 CB LEU A 80 11.853 18.088 21.633 1.00 0.21 C ATOM 1264 CG LEU A 80 12.776 18.900 20.731 1.00 0.35 C ATOM 1265 CD1 LEU A 80 11.896 19.615 19.724 1.00 0.35 C ATOM 1266 CD2 LEU A 80 13.508 19.988 21.532 1.00 0.61 C ATOM 0 H LEU A 80 13.687 16.395 21.273 1.00 0.24 H new ATOM 0 HA LEU A 80 13.304 18.158 23.271 1.00 0.32 H new ATOM 0 HB2 LEU A 80 11.362 17.309 21.049 1.00 0.21 H new ATOM 0 HB3 LEU A 80 11.068 18.732 22.029 1.00 0.21 H new ATOM 0 HG LEU A 80 13.506 18.235 20.269 1.00 0.35 H new ATOM 0 HD11 LEU A 80 12.518 20.211 19.056 1.00 0.35 H new ATOM 0 HD12 LEU A 80 11.338 18.881 19.143 1.00 0.35 H new ATOM 0 HD13 LEU A 80 11.199 20.268 20.249 1.00 0.35 H new ATOM 0 HD21 LEU A 80 14.160 20.553 20.866 1.00 0.61 H new ATOM 0 HD22 LEU A 80 12.778 20.661 21.983 1.00 0.61 H new ATOM 0 HD23 LEU A 80 14.105 19.523 22.316 1.00 0.61 H new ATOM 1278 N LYS A 81 10.838 16.101 23.542 1.00 0.33 N ATOM 1279 CA LYS A 81 9.845 15.672 24.557 1.00 0.35 C ATOM 1280 C LYS A 81 10.553 15.132 25.798 1.00 0.44 C ATOM 1281 O LYS A 81 10.185 15.496 26.894 1.00 0.39 O ATOM 1282 CB LYS A 81 8.974 14.661 23.828 1.00 0.46 C ATOM 1283 CG LYS A 81 7.794 14.189 24.686 1.00 0.85 C ATOM 1284 CD LYS A 81 6.885 13.361 23.761 1.00 0.61 C ATOM 1285 CE LYS A 81 5.644 12.936 24.511 1.00 2.87 C ATOM 1286 NZ LYS A 81 4.846 12.107 23.559 1.00 2.28 N ATOM 0 H LYS A 81 10.803 15.601 22.653 1.00 0.33 H new ATOM 0 HA LYS A 81 9.225 16.480 24.946 1.00 0.35 H new ATOM 0 HB2 LYS A 81 8.597 15.106 22.907 1.00 0.46 H new ATOM 0 HB3 LYS A 81 9.580 13.801 23.542 1.00 0.46 H new ATOM 0 HG2 LYS A 81 8.141 13.589 25.527 1.00 0.85 H new ATOM 0 HG3 LYS A 81 7.253 15.039 25.103 1.00 0.85 H new ATOM 0 HD2 LYS A 81 6.609 13.949 22.886 1.00 0.61 H new ATOM 0 HD3 LYS A 81 7.421 12.484 23.399 1.00 0.61 H new ATOM 0 HE2 LYS A 81 5.904 12.364 25.402 1.00 2.87 H new ATOM 0 HE3 LYS A 81 5.074 13.803 24.844 1.00 2.87 H new ATOM 0 HZ1 LYS A 81 3.903 12.529 23.438 1.00 2.28 H new ATOM 0 HZ2 LYS A 81 5.330 12.071 22.639 1.00 2.28 H new ATOM 0 HZ3 LYS A 81 4.748 11.143 23.936 1.00 2.28 H new ATOM 1300 N LYS A 82 11.554 14.318 25.619 1.00 0.57 N ATOM 1301 CA LYS A 82 12.291 13.745 26.794 1.00 0.71 C ATOM 1302 C LYS A 82 12.907 14.845 27.675 1.00 0.76 C ATOM 1303 O LYS A 82 13.007 14.727 28.880 1.00 0.96 O ATOM 1304 CB LYS A 82 13.403 12.827 26.258 1.00 0.87 C ATOM 1305 CG LYS A 82 12.800 11.655 25.485 1.00 1.35 C ATOM 1306 CD LYS A 82 12.906 10.342 26.312 1.00 1.49 C ATOM 1307 CE LYS A 82 12.259 9.207 25.537 1.00 0.86 C ATOM 1308 NZ LYS A 82 12.870 9.168 24.185 1.00 1.21 N ATOM 0 H LYS A 82 11.900 14.019 24.707 1.00 0.57 H new ATOM 0 HA LYS A 82 11.588 13.189 27.415 1.00 0.71 H new ATOM 0 HB2 LYS A 82 14.070 13.394 25.609 1.00 0.87 H new ATOM 0 HB3 LYS A 82 14.005 12.453 27.086 1.00 0.87 H new ATOM 0 HG2 LYS A 82 11.755 11.863 25.255 1.00 1.35 H new ATOM 0 HG3 LYS A 82 13.318 11.535 24.533 1.00 1.35 H new ATOM 0 HD2 LYS A 82 13.952 10.110 26.515 1.00 1.49 H new ATOM 0 HD3 LYS A 82 12.414 10.466 27.277 1.00 1.49 H new ATOM 0 HE2 LYS A 82 12.412 8.258 26.052 1.00 0.86 H new ATOM 0 HE3 LYS A 82 11.182 9.360 25.464 1.00 0.86 H new ATOM 0 HZ1 LYS A 82 12.640 8.263 23.726 1.00 1.21 H new ATOM 0 HZ2 LYS A 82 12.496 9.952 23.612 1.00 1.21 H new ATOM 0 HZ3 LYS A 82 13.902 9.262 24.268 1.00 1.21 H new ATOM 1322 N LYS A 83 13.313 15.889 27.014 1.00 0.79 N ATOM 1323 CA LYS A 83 13.955 17.077 27.673 1.00 0.94 C ATOM 1324 C LYS A 83 13.098 18.281 28.126 1.00 0.54 C ATOM 1325 O LYS A 83 13.263 18.792 29.215 1.00 0.62 O ATOM 1326 CB LYS A 83 15.018 17.497 26.676 1.00 1.17 C ATOM 1327 CG LYS A 83 16.230 18.115 27.413 1.00 2.12 C ATOM 1328 CD LYS A 83 16.984 16.977 28.178 1.00 4.92 C ATOM 1329 CE LYS A 83 18.073 17.558 29.065 1.00 6.18 C ATOM 1330 NZ LYS A 83 18.716 16.414 29.791 1.00 8.91 N ATOM 0 H LYS A 83 13.226 15.978 26.002 1.00 0.79 H new ATOM 0 HA LYS A 83 14.299 16.753 28.655 1.00 0.94 H new ATOM 0 HB2 LYS A 83 15.340 16.635 26.092 1.00 1.17 H new ATOM 0 HB3 LYS A 83 14.603 18.220 25.974 1.00 1.17 H new ATOM 0 HG2 LYS A 83 16.899 18.599 26.701 1.00 2.12 H new ATOM 0 HG3 LYS A 83 15.897 18.883 28.111 1.00 2.12 H new ATOM 0 HD2 LYS A 83 16.278 16.410 28.784 1.00 4.92 H new ATOM 0 HD3 LYS A 83 17.423 16.280 27.464 1.00 4.92 H new ATOM 0 HE2 LYS A 83 18.809 18.096 28.467 1.00 6.18 H new ATOM 0 HE3 LYS A 83 17.652 18.273 29.772 1.00 6.18 H new ATOM 0 HZ1 LYS A 83 19.469 16.775 30.410 1.00 8.91 H new ATOM 0 HZ2 LYS A 83 18.002 15.922 30.365 1.00 8.91 H new ATOM 0 HZ3 LYS A 83 19.123 15.750 29.102 1.00 8.91 H new ATOM 1344 N TYR A 84 12.228 18.671 27.257 1.00 0.23 N ATOM 1345 CA TYR A 84 11.264 19.814 27.428 1.00 0.50 C ATOM 1346 C TYR A 84 9.932 19.303 28.039 1.00 1.23 C ATOM 1347 O TYR A 84 9.281 20.067 28.733 1.00 2.20 O ATOM 1348 CB TYR A 84 10.992 20.469 26.041 1.00 0.98 C ATOM 1349 CG TYR A 84 12.113 21.428 25.606 1.00 1.04 C ATOM 1350 CD1 TYR A 84 12.321 22.644 26.227 1.00 2.75 C ATOM 1351 CD2 TYR A 84 12.931 21.081 24.558 1.00 2.41 C ATOM 1352 CE1 TYR A 84 13.327 23.486 25.794 1.00 3.12 C ATOM 1353 CE2 TYR A 84 13.939 21.925 24.126 1.00 2.38 C ATOM 1354 CZ TYR A 84 14.137 23.133 24.747 1.00 1.80 C ATOM 1355 OH TYR A 84 15.120 23.998 24.318 1.00 2.25 O ATOM 0 H TYR A 84 12.129 18.211 26.352 1.00 0.23 H new ATOM 0 HA TYR A 84 11.698 20.552 28.102 1.00 0.50 H new ATOM 0 HB2 TYR A 84 10.878 19.687 25.291 1.00 0.98 H new ATOM 0 HB3 TYR A 84 10.049 21.014 26.080 1.00 0.98 H new ATOM 0 HD1 TYR A 84 11.694 22.938 27.056 1.00 2.75 H new ATOM 0 HD2 TYR A 84 12.785 20.133 24.063 1.00 2.41 H new ATOM 0 HE1 TYR A 84 13.477 24.435 26.287 1.00 3.12 H new ATOM 0 HE2 TYR A 84 14.570 21.633 23.300 1.00 2.38 H new ATOM 0 HH TYR A 84 15.605 23.595 23.568 1.00 2.25 H new ATOM 1365 N GLY A 85 9.592 18.063 27.745 1.00 0.83 N ATOM 1366 CA GLY A 85 8.320 17.452 28.290 1.00 1.57 C ATOM 1367 C GLY A 85 7.005 17.472 27.493 1.00 2.00 C ATOM 1368 O GLY A 85 6.874 17.977 26.391 1.00 3.74 O ATOM 0 H GLY A 85 10.141 17.443 27.149 1.00 0.83 H new ATOM 0 HA2 GLY A 85 8.541 16.407 28.508 1.00 1.57 H new ATOM 0 HA3 GLY A 85 8.118 17.941 29.243 1.00 1.57 H new ATOM 1372 N ILE A 86 6.053 16.874 28.162 1.00 1.09 N ATOM 1373 CA ILE A 86 4.631 16.721 27.696 1.00 1.09 C ATOM 1374 C ILE A 86 3.668 17.108 28.864 1.00 1.92 C ATOM 1375 O ILE A 86 4.128 17.107 30.000 1.00 3.87 O ATOM 1376 CB ILE A 86 4.386 15.241 27.269 1.00 2.37 C ATOM 1377 CG1 ILE A 86 2.877 15.052 26.903 1.00 2.23 C ATOM 1378 CG2 ILE A 86 4.764 14.292 28.445 1.00 3.55 C ATOM 1379 CD1 ILE A 86 2.603 13.682 26.272 1.00 3.89 C ATOM 1380 OXT ILE A 86 2.515 17.375 28.557 1.00 2.10 O ATOM 0 H ILE A 86 6.215 16.455 29.078 1.00 1.09 H new ATOM 0 HA ILE A 86 4.444 17.373 26.843 1.00 1.09 H new ATOM 0 HB ILE A 86 5.002 15.002 26.402 1.00 2.37 H new ATOM 0 HG12 ILE A 86 2.270 15.165 27.801 1.00 2.23 H new ATOM 0 HG13 ILE A 86 2.571 15.837 26.211 1.00 2.23 H new ATOM 0 HG21 ILE A 86 4.593 13.258 28.147 1.00 3.55 H new ATOM 0 HG22 ILE A 86 5.815 14.428 28.698 1.00 3.55 H new ATOM 0 HG23 ILE A 86 4.148 14.526 29.314 1.00 3.55 H new ATOM 0 HD11 ILE A 86 1.543 13.596 26.035 1.00 3.89 H new ATOM 0 HD12 ILE A 86 3.189 13.578 25.359 1.00 3.89 H new ATOM 0 HD13 ILE A 86 2.883 12.896 26.973 1.00 3.89 H new TER 1392 ILE A 86