USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 555 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 56 GLN : amide:sc= -2.04! C(o=-2.6!,f=-6.7!) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.601 K(o=-2.6,f=-1.6) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0895) USER MOD Set 2.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 LYS NZ :NH3+ -159:sc= -2.44! (180deg=-3.94!) USER MOD Set 3.2: A 15 ASN : amide:sc= -8.02! C(o=-10!,f=-12!) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.203 (180deg=-0.649) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0237 (180deg=-0.293) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.0263 (180deg=-0.27) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -8.03! K(o=-8!,f=-2.1) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -11.9! C(o=-12!,f=-12!) USER MOD Single : A 28 LYS NZ :NH3+ 135:sc= -0.066 (180deg=-0.456) USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= -4.64! (180deg=-5.14!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -3.55! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0408 X(o=-0.041,f=-0.041) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 150:sc= -3.94! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.019 11.419 7.565 1.00 0.00 N ATOM 2 CA MET A 1 -6.698 10.103 7.432 1.00 0.00 C ATOM 3 C MET A 1 -5.877 8.992 8.078 1.00 0.00 C ATOM 4 O MET A 1 -4.648 8.991 8.004 1.00 0.00 O ATOM 5 CB MET A 1 -6.904 9.810 5.942 1.00 0.00 C ATOM 6 CG MET A 1 -7.800 10.820 5.242 1.00 0.00 C ATOM 7 SD MET A 1 -9.456 10.892 5.952 1.00 0.00 S ATOM 8 CE MET A 1 -10.015 9.212 5.681 1.00 0.00 C ATOM 0 H1 MET A 1 -6.685 12.180 7.321 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.694 11.545 8.545 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.202 11.455 6.923 1.00 0.00 H new ATOM 0 HA MET A 1 -7.659 10.142 7.945 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.934 9.792 5.446 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.336 8.815 5.832 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.341 11.807 5.299 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.873 10.563 4.185 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.095 9.162 5.816 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.761 8.903 4.667 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.529 8.547 6.395 1.00 0.00 H new ATOM 20 N ARG A 2 -6.565 8.047 8.712 1.00 0.00 N ATOM 21 CA ARG A 2 -5.902 6.930 9.372 1.00 0.00 C ATOM 22 C ARG A 2 -6.391 5.597 8.810 1.00 0.00 C ATOM 23 O ARG A 2 -6.855 4.728 9.549 1.00 0.00 O ATOM 24 CB ARG A 2 -6.145 6.987 10.882 1.00 0.00 C ATOM 25 CG ARG A 2 -7.616 6.976 11.261 1.00 0.00 C ATOM 26 CD ARG A 2 -7.802 7.018 12.778 1.00 0.00 C ATOM 27 NE ARG A 2 -7.195 5.862 13.433 1.00 0.00 N ATOM 28 CZ ARG A 2 -7.219 5.661 14.746 1.00 0.00 C ATOM 29 NH1 ARG A 2 -7.819 6.534 15.544 1.00 0.00 N ATOM 30 NH2 ARG A 2 -6.644 4.584 15.265 1.00 0.00 N ATOM 0 H ARG A 2 -7.583 8.034 8.782 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.832 7.009 9.182 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.650 6.138 11.354 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.682 7.889 11.283 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.116 7.832 10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.090 6.080 10.860 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.360 7.933 13.173 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.866 7.051 13.013 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.726 5.170 12.849 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.264 7.363 15.150 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.835 6.376 16.552 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.182 3.909 14.656 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.663 4.431 16.273 1.00 0.00 H new ATOM 44 N LYS A 3 -6.280 5.442 7.496 1.00 0.00 N ATOM 45 CA LYS A 3 -6.706 4.218 6.828 1.00 0.00 C ATOM 46 C LYS A 3 -5.526 3.275 6.635 1.00 0.00 C ATOM 47 O LYS A 3 -4.844 3.318 5.612 1.00 0.00 O ATOM 48 CB LYS A 3 -7.339 4.548 5.484 1.00 0.00 C ATOM 49 CG LYS A 3 -7.943 3.340 4.800 1.00 0.00 C ATOM 50 CD LYS A 3 -8.722 3.732 3.561 1.00 0.00 C ATOM 51 CE LYS A 3 -9.443 2.533 2.980 1.00 0.00 C ATOM 52 NZ LYS A 3 -10.241 2.889 1.774 1.00 0.00 N ATOM 0 H LYS A 3 -5.897 6.151 6.870 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.446 3.721 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.113 5.301 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.585 4.988 4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.151 2.642 4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.602 2.819 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.443 4.511 3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.045 4.151 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.715 1.765 2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.101 2.105 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.717 2.039 1.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.953 3.603 2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.611 3.273 1.042 1.00 0.00 H new ATOM 66 N LYS A 4 -5.288 2.428 7.631 1.00 0.00 N ATOM 67 CA LYS A 4 -4.185 1.478 7.582 1.00 0.00 C ATOM 68 C LYS A 4 -4.679 0.052 7.331 1.00 0.00 C ATOM 69 O LYS A 4 -5.223 -0.589 8.230 1.00 0.00 O ATOM 70 CB LYS A 4 -3.368 1.533 8.878 1.00 0.00 C ATOM 71 CG LYS A 4 -4.196 1.355 10.156 1.00 0.00 C ATOM 72 CD LYS A 4 -4.987 2.610 10.495 1.00 0.00 C ATOM 73 CE LYS A 4 -5.816 2.427 11.757 1.00 0.00 C ATOM 74 NZ LYS A 4 -6.783 1.301 11.628 1.00 0.00 N ATOM 0 H LYS A 4 -5.846 2.381 8.483 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.546 1.763 6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.603 0.757 8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.849 2.490 8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.881 0.516 10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.535 1.107 10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.302 3.447 10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.643 2.863 9.662 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.154 2.242 12.603 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.358 3.348 11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.482 1.354 12.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.270 1.365 10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.273 0.397 11.686 1.00 0.00 H new ATOM 88 N LEU A 5 -4.484 -0.452 6.107 1.00 0.00 N ATOM 89 CA LEU A 5 -4.909 -1.799 5.771 1.00 0.00 C ATOM 90 C LEU A 5 -3.719 -2.743 5.700 1.00 0.00 C ATOM 91 O LEU A 5 -2.771 -2.500 4.953 1.00 0.00 O ATOM 92 CB LEU A 5 -5.646 -1.816 4.430 1.00 0.00 C ATOM 93 CG LEU A 5 -7.108 -1.368 4.477 1.00 0.00 C ATOM 94 CD1 LEU A 5 -7.642 -1.119 3.068 1.00 0.00 C ATOM 95 CD2 LEU A 5 -7.952 -2.414 5.190 1.00 0.00 C ATOM 0 H LEU A 5 -4.037 0.055 5.343 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.584 -2.136 6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.109 -1.173 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.607 -2.828 4.026 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.167 -0.432 5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.683 -0.801 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.050 -0.340 2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.574 -2.038 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.991 -2.086 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.885 -3.362 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.585 -2.545 6.208 1.00 0.00 H new ATOM 107 N ASP A 6 -3.783 -3.830 6.460 1.00 0.00 N ATOM 108 CA ASP A 6 -2.715 -4.816 6.455 1.00 0.00 C ATOM 109 C ASP A 6 -2.453 -5.267 5.016 1.00 0.00 C ATOM 110 O ASP A 6 -3.206 -6.079 4.488 1.00 0.00 O ATOM 111 CB ASP A 6 -3.105 -6.022 7.313 1.00 0.00 C ATOM 112 CG ASP A 6 -3.370 -5.642 8.757 1.00 0.00 C ATOM 113 OD1 ASP A 6 -2.445 -5.116 9.412 1.00 0.00 O ATOM 114 OD2 ASP A 6 -4.501 -5.869 9.233 1.00 0.00 O ATOM 0 H ASP A 6 -4.560 -4.048 7.084 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.811 -4.370 6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.996 -6.490 6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.308 -6.764 7.276 1.00 0.00 H new ATOM 119 N LEU A 7 -1.412 -4.724 4.368 1.00 0.00 N ATOM 120 CA LEU A 7 -1.109 -5.082 2.982 1.00 0.00 C ATOM 121 C LEU A 7 -1.415 -6.546 2.718 1.00 0.00 C ATOM 122 O LEU A 7 -1.914 -6.895 1.651 1.00 0.00 O ATOM 123 CB LEU A 7 0.360 -4.768 2.644 1.00 0.00 C ATOM 124 CG LEU A 7 0.794 -5.053 1.194 1.00 0.00 C ATOM 125 CD1 LEU A 7 1.018 -6.540 0.986 1.00 0.00 C ATOM 126 CD2 LEU A 7 -0.238 -4.524 0.207 1.00 0.00 C ATOM 0 H LEU A 7 -0.774 -4.043 4.779 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.746 -4.480 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.544 -3.715 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.998 -5.345 3.313 1.00 0.00 H new ATOM 0 HG LEU A 7 1.736 -4.535 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.324 -6.721 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.798 -6.889 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.093 -7.079 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.090 -4.736 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.197 -5.009 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.346 -3.447 0.336 1.00 0.00 H new ATOM 138 N LYS A 8 -1.137 -7.400 3.693 1.00 0.00 N ATOM 139 CA LYS A 8 -1.416 -8.816 3.539 1.00 0.00 C ATOM 140 C LYS A 8 -2.902 -9.031 3.305 1.00 0.00 C ATOM 141 O LYS A 8 -3.299 -9.623 2.311 1.00 0.00 O ATOM 142 CB LYS A 8 -0.972 -9.605 4.768 1.00 0.00 C ATOM 143 CG LYS A 8 -1.200 -11.102 4.629 1.00 0.00 C ATOM 144 CD LYS A 8 -0.652 -11.872 5.820 1.00 0.00 C ATOM 145 CE LYS A 8 -1.427 -11.558 7.089 1.00 0.00 C ATOM 146 NZ LYS A 8 -0.896 -12.304 8.264 1.00 0.00 N ATOM 0 H LYS A 8 -0.723 -7.139 4.588 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.853 -9.177 2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.087 -9.420 4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.513 -9.241 5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.267 -11.299 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.724 -11.459 3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.702 -12.942 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.399 -11.623 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.380 -10.487 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.478 -11.809 6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.452 -12.062 9.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.964 -13.326 8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.099 -12.045 8.419 1.00 0.00 H new ATOM 160 N LYS A 9 -3.717 -8.542 4.234 1.00 0.00 N ATOM 161 CA LYS A 9 -5.170 -8.680 4.126 1.00 0.00 C ATOM 162 C LYS A 9 -5.674 -8.093 2.809 1.00 0.00 C ATOM 163 O LYS A 9 -6.570 -8.652 2.175 1.00 0.00 O ATOM 164 CB LYS A 9 -5.882 -7.986 5.298 1.00 0.00 C ATOM 165 CG LYS A 9 -5.900 -6.468 5.207 1.00 0.00 C ATOM 166 CD LYS A 9 -7.311 -5.914 5.346 1.00 0.00 C ATOM 167 CE LYS A 9 -8.202 -6.341 4.188 1.00 0.00 C ATOM 168 NZ LYS A 9 -9.587 -5.811 4.327 1.00 0.00 N ATOM 0 H LYS A 9 -3.400 -8.048 5.068 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.399 -9.745 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.909 -8.348 5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.394 -8.277 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.266 -6.049 5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.478 -6.155 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.746 -6.257 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.271 -4.826 5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.771 -5.990 3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.233 -7.429 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.161 -6.124 3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.008 -6.166 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.560 -4.772 4.350 1.00 0.00 H new ATOM 182 N PHE A 10 -5.102 -6.958 2.404 1.00 0.00 N ATOM 183 CA PHE A 10 -5.510 -6.300 1.167 1.00 0.00 C ATOM 184 C PHE A 10 -5.133 -7.143 -0.048 1.00 0.00 C ATOM 185 O PHE A 10 -5.925 -7.299 -0.978 1.00 0.00 O ATOM 186 CB PHE A 10 -4.905 -4.896 1.071 1.00 0.00 C ATOM 187 CG PHE A 10 -5.214 -4.158 -0.217 1.00 0.00 C ATOM 188 CD1 PHE A 10 -6.472 -4.240 -0.812 1.00 0.00 C ATOM 189 CD2 PHE A 10 -4.246 -3.370 -0.832 1.00 0.00 C ATOM 190 CE1 PHE A 10 -6.749 -3.559 -1.981 1.00 0.00 C ATOM 191 CE2 PHE A 10 -4.526 -2.690 -2.002 1.00 0.00 C ATOM 192 CZ PHE A 10 -5.776 -2.784 -2.576 1.00 0.00 C ATOM 0 H PHE A 10 -4.359 -6.479 2.913 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.595 -6.198 1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.267 -4.301 1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.823 -4.974 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.240 -4.844 -0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.264 -3.289 -0.390 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.729 -3.633 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.764 -2.083 -2.468 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.993 -2.251 -3.490 1.00 0.00 H new ATOM 202 N VAL A 11 -3.931 -7.706 -0.021 1.00 0.00 N ATOM 203 CA VAL A 11 -3.455 -8.558 -1.103 1.00 0.00 C ATOM 204 C VAL A 11 -4.217 -9.871 -1.109 1.00 0.00 C ATOM 205 O VAL A 11 -4.561 -10.410 -2.162 1.00 0.00 O ATOM 206 CB VAL A 11 -1.953 -8.867 -0.958 1.00 0.00 C ATOM 207 CG1 VAL A 11 -1.525 -9.889 -1.987 1.00 0.00 C ATOM 208 CG2 VAL A 11 -1.130 -7.603 -1.089 1.00 0.00 C ATOM 0 H VAL A 11 -3.265 -7.587 0.743 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.619 -8.019 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.782 -9.282 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.461 -10.097 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.092 -10.809 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.712 -9.499 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.072 -7.845 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.304 -7.155 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.420 -6.897 -0.311 1.00 0.00 H new ATOM 218 N GLU A 12 -4.464 -10.378 0.088 1.00 0.00 N ATOM 219 CA GLU A 12 -5.177 -11.632 0.275 1.00 0.00 C ATOM 220 C GLU A 12 -6.528 -11.612 -0.438 1.00 0.00 C ATOM 221 O GLU A 12 -7.127 -12.661 -0.679 1.00 0.00 O ATOM 222 CB GLU A 12 -5.380 -11.910 1.773 1.00 0.00 C ATOM 223 CG GLU A 12 -4.149 -12.371 2.505 1.00 0.00 C ATOM 224 CD GLU A 12 -4.449 -12.788 3.932 1.00 0.00 C ATOM 225 OE1 GLU A 12 -5.201 -13.768 4.117 1.00 0.00 O ATOM 226 OE2 GLU A 12 -3.942 -12.132 4.864 1.00 0.00 O ATOM 0 H GLU A 12 -4.176 -9.931 0.959 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.573 -12.428 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.749 -11.002 2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.156 -12.667 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.704 -13.210 1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.411 -11.569 2.511 1.00 0.00 H new ATOM 233 N ASP A 13 -7.003 -10.414 -0.768 1.00 0.00 N ATOM 234 CA ASP A 13 -8.284 -10.257 -1.449 1.00 0.00 C ATOM 235 C ASP A 13 -8.306 -11.036 -2.762 1.00 0.00 C ATOM 236 O ASP A 13 -9.363 -11.470 -3.220 1.00 0.00 O ATOM 237 CB ASP A 13 -8.566 -8.776 -1.715 1.00 0.00 C ATOM 238 CG ASP A 13 -9.929 -8.551 -2.338 1.00 0.00 C ATOM 239 OD1 ASP A 13 -10.941 -8.911 -1.699 1.00 0.00 O ATOM 240 OD2 ASP A 13 -9.986 -8.017 -3.466 1.00 0.00 O ATOM 0 H ASP A 13 -6.519 -9.537 -0.574 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.062 -10.658 -0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.502 -8.223 -0.778 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.797 -8.375 -2.375 1.00 0.00 H new ATOM 245 N LYS A 14 -7.133 -11.209 -3.358 1.00 0.00 N ATOM 246 CA LYS A 14 -7.008 -11.934 -4.617 1.00 0.00 C ATOM 247 C LYS A 14 -5.545 -12.322 -4.854 1.00 0.00 C ATOM 248 O LYS A 14 -5.237 -13.492 -5.079 1.00 0.00 O ATOM 249 CB LYS A 14 -7.572 -11.077 -5.764 1.00 0.00 C ATOM 250 CG LYS A 14 -6.839 -9.750 -5.944 1.00 0.00 C ATOM 251 CD LYS A 14 -5.722 -9.858 -6.968 1.00 0.00 C ATOM 252 CE LYS A 14 -6.264 -9.831 -8.391 1.00 0.00 C ATOM 253 NZ LYS A 14 -7.002 -11.078 -8.733 1.00 0.00 N ATOM 0 H LYS A 14 -6.251 -10.855 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.587 -12.856 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.516 -11.644 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.627 -10.879 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.547 -8.983 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.426 -9.430 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.020 -9.036 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.167 -10.782 -6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.927 -8.974 -8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.439 -9.695 -9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.043 -11.185 -9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.511 -11.896 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.968 -11.025 -8.352 1.00 0.00 H new ATOM 267 N ASN A 15 -4.655 -11.331 -4.750 1.00 0.00 N ATOM 268 CA ASN A 15 -3.209 -11.529 -4.899 1.00 0.00 C ATOM 269 C ASN A 15 -2.503 -10.194 -5.147 1.00 0.00 C ATOM 270 O ASN A 15 -3.142 -9.176 -5.413 1.00 0.00 O ATOM 271 CB ASN A 15 -2.847 -12.543 -6.005 1.00 0.00 C ATOM 272 CG ASN A 15 -3.269 -12.111 -7.398 1.00 0.00 C ATOM 273 OD1 ASN A 15 -4.439 -12.214 -7.760 1.00 0.00 O ATOM 274 ND2 ASN A 15 -2.317 -11.626 -8.195 1.00 0.00 N ATOM 0 H ASN A 15 -4.918 -10.364 -4.559 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.858 -11.953 -3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.769 -12.706 -5.997 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.315 -13.500 -5.774 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.549 -11.325 -9.142 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.357 -11.556 -7.858 1.00 0.00 H new ATOM 281 N GLN A 16 -1.180 -10.216 -5.024 1.00 0.00 N ATOM 282 CA GLN A 16 -0.339 -9.026 -5.194 1.00 0.00 C ATOM 283 C GLN A 16 -0.654 -8.215 -6.446 1.00 0.00 C ATOM 284 O GLN A 16 -0.244 -7.060 -6.551 1.00 0.00 O ATOM 285 CB GLN A 16 1.135 -9.435 -5.204 1.00 0.00 C ATOM 286 CG GLN A 16 1.389 -10.875 -5.646 1.00 0.00 C ATOM 287 CD GLN A 16 1.214 -11.126 -7.141 1.00 0.00 C ATOM 288 OE1 GLN A 16 1.431 -12.244 -7.609 1.00 0.00 O ATOM 289 NE2 GLN A 16 0.820 -10.110 -7.901 1.00 0.00 N ATOM 0 H GLN A 16 -0.654 -11.061 -4.803 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.558 -8.376 -4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.681 -8.763 -5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.544 -9.298 -4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.404 -11.154 -5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.713 -11.532 -5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.649 -9.196 -7.482 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.689 -10.244 -8.904 1.00 0.00 H new ATOM 298 N GLU A 17 -1.350 -8.806 -7.402 1.00 0.00 N ATOM 299 CA GLU A 17 -1.664 -8.107 -8.633 1.00 0.00 C ATOM 300 C GLU A 17 -2.625 -6.943 -8.382 1.00 0.00 C ATOM 301 O GLU A 17 -2.404 -5.833 -8.861 1.00 0.00 O ATOM 302 CB GLU A 17 -2.259 -9.073 -9.651 1.00 0.00 C ATOM 303 CG GLU A 17 -2.451 -8.440 -11.006 1.00 0.00 C ATOM 304 CD GLU A 17 -3.221 -9.324 -11.968 1.00 0.00 C ATOM 305 OE1 GLU A 17 -4.380 -9.669 -11.660 1.00 0.00 O ATOM 306 OE2 GLU A 17 -2.663 -9.670 -13.031 1.00 0.00 O ATOM 0 H GLU A 17 -1.705 -9.761 -7.349 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.737 -7.696 -9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.606 -9.940 -9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.219 -9.436 -9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.980 -7.494 -10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.476 -8.209 -11.435 1.00 0.00 H new ATOM 313 N TYR A 18 -3.691 -7.211 -7.632 1.00 0.00 N ATOM 314 CA TYR A 18 -4.699 -6.192 -7.313 1.00 0.00 C ATOM 315 C TYR A 18 -4.097 -5.046 -6.516 1.00 0.00 C ATOM 316 O TYR A 18 -4.323 -3.875 -6.818 1.00 0.00 O ATOM 317 CB TYR A 18 -5.844 -6.829 -6.512 1.00 0.00 C ATOM 318 CG TYR A 18 -6.886 -5.884 -5.933 1.00 0.00 C ATOM 319 CD1 TYR A 18 -7.189 -4.652 -6.512 1.00 0.00 C ATOM 320 CD2 TYR A 18 -7.582 -6.249 -4.784 1.00 0.00 C ATOM 321 CE1 TYR A 18 -8.148 -3.822 -5.961 1.00 0.00 C ATOM 322 CE2 TYR A 18 -8.539 -5.428 -4.233 1.00 0.00 C ATOM 323 CZ TYR A 18 -8.819 -4.216 -4.823 1.00 0.00 C ATOM 324 OH TYR A 18 -9.776 -3.393 -4.273 1.00 0.00 O ATOM 0 H TYR A 18 -3.883 -8.129 -7.230 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.081 -5.790 -8.252 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.355 -7.542 -7.159 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.408 -7.398 -5.691 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.666 -4.341 -7.405 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.366 -7.197 -4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -8.370 -2.870 -6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -9.068 -5.733 -3.342 1.00 0.00 H new ATOM 0 HH TYR A 18 -10.154 -3.819 -3.476 1.00 0.00 H new ATOM 334 N ALA A 19 -3.345 -5.397 -5.486 1.00 0.00 N ATOM 335 CA ALA A 19 -2.725 -4.411 -4.625 1.00 0.00 C ATOM 336 C ALA A 19 -1.689 -3.596 -5.386 1.00 0.00 C ATOM 337 O ALA A 19 -1.626 -2.374 -5.258 1.00 0.00 O ATOM 338 CB ALA A 19 -2.101 -5.108 -3.431 1.00 0.00 C ATOM 0 H ALA A 19 -3.150 -6.364 -5.227 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.487 -3.717 -4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.634 -4.368 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.873 -5.642 -2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.347 -5.816 -3.776 1.00 0.00 H new ATOM 344 N ALA A 20 -0.890 -4.281 -6.190 1.00 0.00 N ATOM 345 CA ALA A 20 0.135 -3.619 -6.989 1.00 0.00 C ATOM 346 C ALA A 20 -0.505 -2.833 -8.126 1.00 0.00 C ATOM 347 O ALA A 20 0.112 -1.946 -8.715 1.00 0.00 O ATOM 348 CB ALA A 20 1.125 -4.637 -7.535 1.00 0.00 C ATOM 0 H ALA A 20 -0.930 -5.293 -6.308 1.00 0.00 H new ATOM 0 HA ALA A 20 0.677 -2.922 -6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.883 -4.126 -8.129 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.604 -5.159 -6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.598 -5.357 -8.161 1.00 0.00 H new ATOM 354 N ARG A 21 -1.754 -3.174 -8.421 1.00 0.00 N ATOM 355 CA ARG A 21 -2.510 -2.526 -9.472 1.00 0.00 C ATOM 356 C ARG A 21 -3.048 -1.178 -9.003 1.00 0.00 C ATOM 357 O ARG A 21 -3.045 -0.200 -9.750 1.00 0.00 O ATOM 358 CB ARG A 21 -3.665 -3.427 -9.884 1.00 0.00 C ATOM 359 CG ARG A 21 -4.503 -2.851 -10.997 1.00 0.00 C ATOM 360 CD ARG A 21 -5.419 -3.897 -11.615 1.00 0.00 C ATOM 361 NE ARG A 21 -6.318 -3.319 -12.610 1.00 0.00 N ATOM 362 CZ ARG A 21 -7.216 -4.025 -13.291 1.00 0.00 C ATOM 363 NH1 ARG A 21 -7.334 -5.330 -13.087 1.00 0.00 N ATOM 364 NH2 ARG A 21 -7.997 -3.425 -14.179 1.00 0.00 N ATOM 0 H ARG A 21 -2.267 -3.909 -7.934 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.852 -2.352 -10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.269 -4.392 -10.199 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.301 -3.610 -9.018 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.102 -2.026 -10.611 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.851 -2.439 -11.767 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.816 -4.677 -12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.006 -4.374 -10.830 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.254 -2.318 -12.793 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.735 -5.796 -12.406 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.024 -5.868 -13.611 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.909 -2.422 -14.340 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.686 -3.967 -14.701 1.00 0.00 H new ATOM 378 N ALA A 22 -3.516 -1.143 -7.759 1.00 0.00 N ATOM 379 CA ALA A 22 -4.068 0.073 -7.178 1.00 0.00 C ATOM 380 C ALA A 22 -2.964 1.000 -6.675 1.00 0.00 C ATOM 381 O ALA A 22 -2.878 2.156 -7.089 1.00 0.00 O ATOM 382 CB ALA A 22 -5.026 -0.285 -6.052 1.00 0.00 C ATOM 0 H ALA A 22 -3.523 -1.948 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.614 0.609 -7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.437 0.627 -5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.837 -0.897 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.491 -0.842 -5.283 1.00 0.00 H new ATOM 388 N LEU A 23 -2.124 0.485 -5.780 1.00 0.00 N ATOM 389 CA LEU A 23 -1.023 1.269 -5.220 1.00 0.00 C ATOM 390 C LEU A 23 -0.147 1.859 -6.323 1.00 0.00 C ATOM 391 O LEU A 23 -0.354 2.993 -6.754 1.00 0.00 O ATOM 392 CB LEU A 23 -0.164 0.414 -4.279 1.00 0.00 C ATOM 393 CG LEU A 23 -0.770 0.153 -2.885 1.00 0.00 C ATOM 394 CD1 LEU A 23 -2.155 -0.492 -2.998 1.00 0.00 C ATOM 395 CD2 LEU A 23 0.152 -0.734 -2.036 1.00 0.00 C ATOM 0 H LEU A 23 -2.184 -0.470 -5.427 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.464 2.087 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.026 -0.546 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.802 0.903 -4.151 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.874 1.119 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.558 -0.665 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.822 0.172 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.072 -1.442 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.302 -0.900 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.298 -1.691 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.116 -0.241 -1.909 1.00 0.00 H new ATOM 407 N GLY A 24 0.834 1.081 -6.770 1.00 0.00 N ATOM 408 CA GLY A 24 1.733 1.541 -7.812 1.00 0.00 C ATOM 409 C GLY A 24 3.119 0.943 -7.676 1.00 0.00 C ATOM 410 O GLY A 24 3.800 0.702 -8.672 1.00 0.00 O ATOM 0 H GLY A 24 1.022 0.139 -6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.321 1.280 -8.787 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.803 2.628 -7.776 1.00 0.00 H new ATOM 414 N LEU A 25 3.533 0.706 -6.433 1.00 0.00 N ATOM 415 CA LEU A 25 4.848 0.128 -6.153 1.00 0.00 C ATOM 416 C LEU A 25 5.069 -1.136 -6.984 1.00 0.00 C ATOM 417 O LEU A 25 4.115 -1.739 -7.474 1.00 0.00 O ATOM 418 CB LEU A 25 4.992 -0.219 -4.659 1.00 0.00 C ATOM 419 CG LEU A 25 4.139 -1.401 -4.161 1.00 0.00 C ATOM 420 CD1 LEU A 25 4.304 -1.573 -2.651 1.00 0.00 C ATOM 421 CD2 LEU A 25 2.662 -1.204 -4.498 1.00 0.00 C ATOM 0 H LEU A 25 2.977 0.905 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 25 5.597 0.873 -6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.040 -0.440 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.733 0.663 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 25 4.489 -2.299 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.696 -2.412 -2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.351 -1.767 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.983 -0.663 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.089 -2.056 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.299 -0.292 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.543 -1.123 -5.578 1.00 0.00 H new ATOM 433 N SER A 26 6.327 -1.543 -7.123 1.00 0.00 N ATOM 434 CA SER A 26 6.655 -2.748 -7.879 1.00 0.00 C ATOM 435 C SER A 26 6.384 -3.995 -7.041 1.00 0.00 C ATOM 436 O SER A 26 6.313 -3.925 -5.814 1.00 0.00 O ATOM 437 CB SER A 26 8.114 -2.720 -8.345 1.00 0.00 C ATOM 438 OG SER A 26 8.305 -1.757 -9.367 1.00 0.00 O ATOM 0 H SER A 26 7.132 -1.060 -6.725 1.00 0.00 H new ATOM 0 HA SER A 26 6.017 -2.779 -8.763 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.764 -2.492 -7.500 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.401 -3.706 -8.712 1.00 0.00 H new ATOM 0 HG SER A 26 9.245 -1.758 -9.646 1.00 0.00 H new ATOM 444 N GLN A 27 6.216 -5.130 -7.712 1.00 0.00 N ATOM 445 CA GLN A 27 5.931 -6.392 -7.036 1.00 0.00 C ATOM 446 C GLN A 27 6.988 -6.752 -5.998 1.00 0.00 C ATOM 447 O GLN A 27 6.658 -7.250 -4.923 1.00 0.00 O ATOM 448 CB GLN A 27 5.774 -7.517 -8.057 1.00 0.00 C ATOM 449 CG GLN A 27 4.326 -7.730 -8.448 1.00 0.00 C ATOM 450 CD GLN A 27 3.491 -8.119 -7.256 1.00 0.00 C ATOM 451 OE1 GLN A 27 3.598 -9.238 -6.758 1.00 0.00 O ATOM 452 NE2 GLN A 27 2.684 -7.196 -6.766 1.00 0.00 N ATOM 0 H GLN A 27 6.273 -5.202 -8.728 1.00 0.00 H new ATOM 0 HA GLN A 27 4.992 -6.263 -6.497 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.359 -7.284 -8.946 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.178 -8.441 -7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.928 -6.817 -8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.263 -8.508 -9.209 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.627 -6.280 -7.211 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.118 -7.399 -5.942 1.00 0.00 H new ATOM 461 N LYS A 28 8.252 -6.503 -6.310 1.00 0.00 N ATOM 462 CA LYS A 28 9.327 -6.811 -5.378 1.00 0.00 C ATOM 463 C LYS A 28 9.234 -5.921 -4.145 1.00 0.00 C ATOM 464 O LYS A 28 9.750 -6.259 -3.085 1.00 0.00 O ATOM 465 CB LYS A 28 10.682 -6.631 -6.051 1.00 0.00 C ATOM 466 CG LYS A 28 10.840 -7.379 -7.369 1.00 0.00 C ATOM 467 CD LYS A 28 10.899 -8.889 -7.177 1.00 0.00 C ATOM 468 CE LYS A 28 11.209 -9.603 -8.483 1.00 0.00 C ATOM 469 NZ LYS A 28 12.519 -9.179 -9.050 1.00 0.00 N ATOM 0 H LYS A 28 8.556 -6.092 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 28 9.225 -7.851 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.846 -5.568 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.461 -6.963 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.006 -7.131 -8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.749 -7.043 -7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.661 -9.134 -6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.947 -9.245 -6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.218 -10.680 -8.315 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.418 -9.399 -9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.048 -10.017 -9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.358 -8.546 -9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.067 -8.678 -8.322 1.00 0.00 H new ATOM 483 N LEU A 29 8.554 -4.793 -4.273 1.00 0.00 N ATOM 484 CA LEU A 29 8.384 -3.896 -3.140 1.00 0.00 C ATOM 485 C LEU A 29 7.236 -4.400 -2.289 1.00 0.00 C ATOM 486 O LEU A 29 7.266 -4.304 -1.063 1.00 0.00 O ATOM 487 CB LEU A 29 8.123 -2.454 -3.592 1.00 0.00 C ATOM 488 CG LEU A 29 9.274 -1.755 -4.333 1.00 0.00 C ATOM 489 CD1 LEU A 29 10.478 -1.557 -3.419 1.00 0.00 C ATOM 490 CD2 LEU A 29 9.685 -2.552 -5.562 1.00 0.00 C ATOM 0 H LEU A 29 8.115 -4.479 -5.139 1.00 0.00 H new ATOM 0 HA LEU A 29 9.306 -3.886 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.247 -2.452 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.871 -1.860 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 29 8.915 -0.776 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 29 11.276 -1.060 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.190 -0.943 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.830 -2.526 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.501 -2.040 -6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.014 -3.546 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.835 -2.643 -6.238 1.00 0.00 H new ATOM 502 N ILE A 30 6.235 -4.976 -2.949 1.00 0.00 N ATOM 503 CA ILE A 30 5.101 -5.535 -2.261 1.00 0.00 C ATOM 504 C ILE A 30 5.529 -6.739 -1.455 1.00 0.00 C ATOM 505 O ILE A 30 5.298 -6.804 -0.252 1.00 0.00 O ATOM 506 CB ILE A 30 4.012 -5.944 -3.254 1.00 0.00 C ATOM 507 CG1 ILE A 30 3.148 -4.733 -3.610 1.00 0.00 C ATOM 508 CG2 ILE A 30 3.187 -7.079 -2.691 1.00 0.00 C ATOM 509 CD1 ILE A 30 1.905 -5.089 -4.379 1.00 0.00 C ATOM 0 H ILE A 30 6.197 -5.062 -3.965 1.00 0.00 H new ATOM 0 HA ILE A 30 4.697 -4.774 -1.593 1.00 0.00 H new ATOM 0 HB ILE A 30 4.476 -6.303 -4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.863 -4.217 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.742 -4.033 -4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.416 -7.359 -3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.832 -7.936 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.718 -6.761 -1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.340 -4.183 -4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.182 -5.578 -5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.290 -5.765 -3.784 1.00 0.00 H new ATOM 521 N GLU A 31 6.172 -7.680 -2.132 1.00 0.00 N ATOM 522 CA GLU A 31 6.666 -8.879 -1.485 1.00 0.00 C ATOM 523 C GLU A 31 7.310 -8.492 -0.165 1.00 0.00 C ATOM 524 O GLU A 31 7.179 -9.182 0.843 1.00 0.00 O ATOM 525 CB GLU A 31 7.683 -9.562 -2.385 1.00 0.00 C ATOM 526 CG GLU A 31 8.881 -8.719 -2.628 1.00 0.00 C ATOM 527 CD GLU A 31 9.985 -9.449 -3.370 1.00 0.00 C ATOM 528 OE1 GLU A 31 9.734 -9.911 -4.502 1.00 0.00 O ATOM 529 OE2 GLU A 31 11.100 -9.558 -2.817 1.00 0.00 O ATOM 0 H GLU A 31 6.362 -7.632 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 31 5.844 -9.571 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.991 -10.504 -1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.214 -9.806 -3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.588 -7.839 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.267 -8.364 -1.673 1.00 0.00 H new ATOM 536 N GLU A 32 7.990 -7.353 -0.200 1.00 0.00 N ATOM 537 CA GLU A 32 8.658 -6.799 0.979 1.00 0.00 C ATOM 538 C GLU A 32 7.640 -6.387 2.036 1.00 0.00 C ATOM 539 O GLU A 32 7.635 -6.904 3.152 1.00 0.00 O ATOM 540 CB GLU A 32 9.491 -5.566 0.608 1.00 0.00 C ATOM 541 CG GLU A 32 10.584 -5.829 -0.406 1.00 0.00 C ATOM 542 CD GLU A 32 11.529 -4.653 -0.566 1.00 0.00 C ATOM 543 OE1 GLU A 32 11.326 -3.629 0.120 1.00 0.00 O ATOM 544 OE2 GLU A 32 12.471 -4.756 -1.379 1.00 0.00 O ATOM 0 H GLU A 32 8.096 -6.786 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 32 9.309 -7.578 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.825 -4.798 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.943 -5.162 1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.152 -6.708 -0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.131 -6.060 -1.370 1.00 0.00 H new ATOM 551 N VAL A 33 6.793 -5.430 1.672 1.00 0.00 N ATOM 552 CA VAL A 33 5.773 -4.904 2.573 1.00 0.00 C ATOM 553 C VAL A 33 4.814 -5.997 3.039 1.00 0.00 C ATOM 554 O VAL A 33 4.125 -5.843 4.048 1.00 0.00 O ATOM 555 CB VAL A 33 4.959 -3.794 1.884 1.00 0.00 C ATOM 556 CG1 VAL A 33 4.131 -3.024 2.900 1.00 0.00 C ATOM 557 CG2 VAL A 33 5.875 -2.863 1.102 1.00 0.00 C ATOM 0 H VAL A 33 6.794 -4.998 0.748 1.00 0.00 H new ATOM 0 HA VAL A 33 6.295 -4.499 3.440 1.00 0.00 H new ATOM 0 HB VAL A 33 4.272 -4.260 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.564 -2.244 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.443 -3.706 3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.792 -2.569 3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.280 -2.086 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.593 -2.404 1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.409 -3.432 0.341 1.00 0.00 H new ATOM 567 N LEU A 34 4.767 -7.094 2.294 1.00 0.00 N ATOM 568 CA LEU A 34 3.892 -8.201 2.611 1.00 0.00 C ATOM 569 C LEU A 34 4.605 -9.257 3.456 1.00 0.00 C ATOM 570 O LEU A 34 3.990 -9.898 4.307 1.00 0.00 O ATOM 571 CB LEU A 34 3.354 -8.800 1.310 1.00 0.00 C ATOM 572 CG LEU A 34 2.768 -10.191 1.433 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.582 -10.176 2.380 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.373 -10.724 0.067 1.00 0.00 C ATOM 0 H LEU A 34 5.334 -7.235 1.458 1.00 0.00 H new ATOM 0 HA LEU A 34 3.058 -7.834 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.588 -8.135 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.163 -8.827 0.580 1.00 0.00 H new ATOM 0 HG LEU A 34 3.525 -10.858 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.168 -11.181 2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.906 -9.837 3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.818 -9.499 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.954 -11.724 0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.629 -10.065 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.253 -10.766 -0.575 1.00 0.00 H new ATOM 586 N LYS A 35 5.903 -9.427 3.227 1.00 0.00 N ATOM 587 CA LYS A 35 6.690 -10.394 3.981 1.00 0.00 C ATOM 588 C LYS A 35 7.033 -9.833 5.357 1.00 0.00 C ATOM 589 O LYS A 35 7.097 -10.563 6.346 1.00 0.00 O ATOM 590 CB LYS A 35 7.974 -10.729 3.227 1.00 0.00 C ATOM 591 CG LYS A 35 9.005 -9.612 3.282 1.00 0.00 C ATOM 592 CD LYS A 35 10.247 -9.929 2.464 1.00 0.00 C ATOM 593 CE LYS A 35 11.333 -8.890 2.689 1.00 0.00 C ATOM 594 NZ LYS A 35 11.890 -8.960 4.068 1.00 0.00 N ATOM 0 H LYS A 35 6.431 -8.908 2.526 1.00 0.00 H new ATOM 0 HA LYS A 35 6.101 -11.303 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.408 -11.637 3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.732 -10.942 2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.557 -8.689 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.291 -9.436 4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.622 -10.916 2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.989 -9.966 1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.134 -9.040 1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.926 -7.895 2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.745 -8.372 4.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.183 -8.612 4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.132 -9.946 4.295 1.00 0.00 H new ATOM 608 N ARG A 36 7.259 -8.524 5.396 1.00 0.00 N ATOM 609 CA ARG A 36 7.606 -7.828 6.628 1.00 0.00 C ATOM 610 C ARG A 36 6.371 -7.331 7.368 1.00 0.00 C ATOM 611 O ARG A 36 6.249 -7.508 8.581 1.00 0.00 O ATOM 612 CB ARG A 36 8.526 -6.660 6.332 1.00 0.00 C ATOM 613 CG ARG A 36 9.929 -7.086 5.987 1.00 0.00 C ATOM 614 CD ARG A 36 10.658 -6.033 5.173 1.00 0.00 C ATOM 615 NE ARG A 36 12.074 -6.348 5.010 1.00 0.00 N ATOM 616 CZ ARG A 36 12.927 -5.581 4.337 1.00 0.00 C ATOM 617 NH1 ARG A 36 12.509 -4.458 3.768 1.00 0.00 N ATOM 618 NH2 ARG A 36 14.199 -5.937 4.233 1.00 0.00 N ATOM 0 H ARG A 36 7.207 -7.918 4.577 1.00 0.00 H new ATOM 0 HA ARG A 36 8.118 -8.545 7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.114 -6.082 5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.556 -6.000 7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.484 -7.284 6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.897 -8.020 5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.191 -5.946 4.192 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.557 -5.064 5.661 1.00 0.00 H new ATOM 0 HE ARG A 36 12.429 -7.204 5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.531 -4.180 3.846 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.166 -3.872 3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.524 -6.800 4.669 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.853 -5.348 3.717 1.00 0.00 H new ATOM 632 N GLY A 37 5.468 -6.685 6.637 1.00 0.00 N ATOM 633 CA GLY A 37 4.270 -6.148 7.247 1.00 0.00 C ATOM 634 C GLY A 37 4.513 -4.752 7.776 1.00 0.00 C ATOM 635 O GLY A 37 4.362 -4.493 8.969 1.00 0.00 O ATOM 0 H GLY A 37 5.547 -6.525 5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.462 -6.129 6.516 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.948 -6.799 8.060 1.00 0.00 H new ATOM 639 N LEU A 38 4.910 -3.855 6.879 1.00 0.00 N ATOM 640 CA LEU A 38 5.201 -2.477 7.251 1.00 0.00 C ATOM 641 C LEU A 38 3.923 -1.635 7.228 1.00 0.00 C ATOM 642 O LEU A 38 3.019 -1.907 6.438 1.00 0.00 O ATOM 643 CB LEU A 38 6.233 -1.871 6.283 1.00 0.00 C ATOM 644 CG LEU A 38 7.502 -2.705 6.016 1.00 0.00 C ATOM 645 CD1 LEU A 38 8.337 -2.037 4.939 1.00 0.00 C ATOM 646 CD2 LEU A 38 8.341 -2.915 7.274 1.00 0.00 C ATOM 0 H LEU A 38 5.037 -4.059 5.888 1.00 0.00 H new ATOM 0 HA LEU A 38 5.610 -2.475 8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.739 -1.688 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.539 -0.901 6.675 1.00 0.00 H new ATOM 0 HG LEU A 38 7.179 -3.690 5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.233 -2.630 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.754 -1.963 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.624 -1.038 5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.222 -3.508 7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.653 -1.948 7.669 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.748 -3.439 8.024 1.00 0.00 H new ATOM 658 N PRO A 39 3.823 -0.593 8.083 1.00 0.00 N ATOM 659 CA PRO A 39 2.639 0.275 8.119 1.00 0.00 C ATOM 660 C PRO A 39 2.258 0.778 6.730 1.00 0.00 C ATOM 661 O PRO A 39 3.097 1.315 6.009 1.00 0.00 O ATOM 662 CB PRO A 39 3.078 1.449 8.997 1.00 0.00 C ATOM 663 CG PRO A 39 4.144 0.896 9.875 1.00 0.00 C ATOM 664 CD PRO A 39 4.847 -0.172 9.066 1.00 0.00 C ATOM 0 HA PRO A 39 1.762 -0.251 8.495 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.453 2.275 8.393 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.245 1.836 9.584 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.842 1.676 10.179 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.718 0.477 10.787 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.738 0.219 8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.167 -1.004 9.693 1.00 0.00 H new ATOM 672 N VAL A 40 0.994 0.607 6.356 1.00 0.00 N ATOM 673 CA VAL A 40 0.525 1.051 5.049 1.00 0.00 C ATOM 674 C VAL A 40 -0.815 1.794 5.159 1.00 0.00 C ATOM 675 O VAL A 40 -1.762 1.278 5.756 1.00 0.00 O ATOM 676 CB VAL A 40 0.354 -0.140 4.084 1.00 0.00 C ATOM 677 CG1 VAL A 40 -0.237 0.322 2.761 1.00 0.00 C ATOM 678 CG2 VAL A 40 1.691 -0.843 3.860 1.00 0.00 C ATOM 0 H VAL A 40 0.280 0.167 6.936 1.00 0.00 H new ATOM 0 HA VAL A 40 1.282 1.730 4.657 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.337 -0.852 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.350 -0.533 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.212 0.776 2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.427 1.055 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.552 -1.681 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.405 -0.140 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.073 -1.211 4.812 1.00 0.00 H new ATOM 688 N TYR A 41 -0.906 2.997 4.573 1.00 0.00 N ATOM 689 CA TYR A 41 -2.144 3.770 4.611 1.00 0.00 C ATOM 690 C TYR A 41 -2.529 4.205 3.206 1.00 0.00 C ATOM 691 O TYR A 41 -1.859 5.041 2.606 1.00 0.00 O ATOM 692 CB TYR A 41 -2.001 5.007 5.510 1.00 0.00 C ATOM 693 CG TYR A 41 -1.805 4.710 6.985 1.00 0.00 C ATOM 694 CD1 TYR A 41 -0.696 3.997 7.424 1.00 0.00 C ATOM 695 CD2 TYR A 41 -2.719 5.152 7.946 1.00 0.00 C ATOM 696 CE1 TYR A 41 -0.500 3.733 8.765 1.00 0.00 C ATOM 697 CE2 TYR A 41 -2.526 4.888 9.286 1.00 0.00 C ATOM 698 CZ TYR A 41 -1.417 4.181 9.691 1.00 0.00 C ATOM 699 OH TYR A 41 -1.223 3.919 11.028 1.00 0.00 O ATOM 0 H TYR A 41 -0.140 3.448 4.072 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.925 3.132 5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.155 5.597 5.158 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.891 5.626 5.395 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.026 3.643 6.703 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.590 5.709 7.634 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.369 3.178 9.087 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.243 5.235 10.015 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.959 4.305 11.547 1.00 0.00 H new ATOM 709 N VAL A 42 -3.607 3.640 2.678 1.00 0.00 N ATOM 710 CA VAL A 42 -4.046 3.998 1.334 1.00 0.00 C ATOM 711 C VAL A 42 -5.329 4.824 1.364 1.00 0.00 C ATOM 712 O VAL A 42 -6.402 4.334 1.713 1.00 0.00 O ATOM 713 CB VAL A 42 -4.222 2.757 0.410 1.00 0.00 C ATOM 714 CG1 VAL A 42 -2.914 1.986 0.285 1.00 0.00 C ATOM 715 CG2 VAL A 42 -5.336 1.840 0.904 1.00 0.00 C ATOM 0 H VAL A 42 -4.185 2.944 3.149 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.250 4.609 0.910 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.507 3.124 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.061 1.123 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.148 2.635 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.596 1.647 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.428 0.986 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.100 1.489 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.277 2.389 0.924 1.00 0.00 H new ATOM 725 N GLU A 43 -5.197 6.096 0.994 1.00 0.00 N ATOM 726 CA GLU A 43 -6.334 7.027 0.970 1.00 0.00 C ATOM 727 C GLU A 43 -6.764 7.343 -0.464 1.00 0.00 C ATOM 728 O GLU A 43 -6.146 8.173 -1.131 1.00 0.00 O ATOM 729 CB GLU A 43 -5.953 8.315 1.691 1.00 0.00 C ATOM 730 CG GLU A 43 -6.995 9.417 1.585 1.00 0.00 C ATOM 731 CD GLU A 43 -8.322 9.044 2.219 1.00 0.00 C ATOM 732 OE1 GLU A 43 -8.423 7.937 2.791 1.00 0.00 O ATOM 733 OE2 GLU A 43 -9.264 9.863 2.149 1.00 0.00 O ATOM 0 H GLU A 43 -4.312 6.511 0.705 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.175 6.554 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.781 8.092 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.010 8.681 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.612 10.319 2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.156 9.657 0.534 1.00 0.00 H new ATOM 740 N THR A 44 -7.802 6.656 -0.948 1.00 0.00 N ATOM 741 CA THR A 44 -8.274 6.847 -2.320 1.00 0.00 C ATOM 742 C THR A 44 -8.935 8.209 -2.511 1.00 0.00 C ATOM 743 O THR A 44 -9.450 8.805 -1.564 1.00 0.00 O ATOM 744 CB THR A 44 -9.246 5.731 -2.708 1.00 0.00 C ATOM 745 OG1 THR A 44 -9.095 4.614 -1.849 1.00 0.00 O ATOM 746 CG2 THR A 44 -9.046 5.235 -4.127 1.00 0.00 C ATOM 0 H THR A 44 -8.329 5.966 -0.412 1.00 0.00 H new ATOM 0 HA THR A 44 -7.402 6.809 -2.973 1.00 0.00 H new ATOM 0 HB THR A 44 -10.240 6.170 -2.622 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.726 3.912 -2.112 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.765 4.445 -4.341 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.194 6.059 -4.825 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.034 4.844 -4.237 1.00 0.00 H new ATOM 754 N ASN A 45 -8.915 8.688 -3.753 1.00 0.00 N ATOM 755 CA ASN A 45 -9.505 9.975 -4.099 1.00 0.00 C ATOM 756 C ASN A 45 -10.935 9.799 -4.604 1.00 0.00 C ATOM 757 O ASN A 45 -11.894 10.097 -3.892 1.00 0.00 O ATOM 758 CB ASN A 45 -8.652 10.672 -5.165 1.00 0.00 C ATOM 759 CG ASN A 45 -9.267 11.972 -5.647 1.00 0.00 C ATOM 760 OD1 ASN A 45 -9.552 12.870 -4.855 1.00 0.00 O ATOM 761 ND2 ASN A 45 -9.463 12.082 -6.957 1.00 0.00 N ATOM 0 H ASN A 45 -8.492 8.198 -4.541 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.533 10.593 -3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.661 10.872 -4.758 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.518 10.001 -6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.865 12.937 -7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.212 11.312 -7.577 1.00 0.00 H new ATOM 768 N LYS A 46 -11.071 9.314 -5.836 1.00 0.00 N ATOM 769 CA LYS A 46 -12.386 9.100 -6.433 1.00 0.00 C ATOM 770 C LYS A 46 -12.279 8.287 -7.720 1.00 0.00 C ATOM 771 O LYS A 46 -12.784 7.168 -7.801 1.00 0.00 O ATOM 772 CB LYS A 46 -13.062 10.443 -6.720 1.00 0.00 C ATOM 773 CG LYS A 46 -14.443 10.311 -7.344 1.00 0.00 C ATOM 774 CD LYS A 46 -15.062 11.671 -7.622 1.00 0.00 C ATOM 775 CE LYS A 46 -16.440 11.538 -8.248 1.00 0.00 C ATOM 776 NZ LYS A 46 -17.057 12.866 -8.524 1.00 0.00 N ATOM 0 H LYS A 46 -10.288 9.062 -6.439 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.991 8.538 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.146 11.004 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -12.426 11.025 -7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -14.371 9.746 -8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.092 9.744 -6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.136 12.235 -6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.412 12.239 -8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.363 10.973 -9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -17.088 10.968 -7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.996 12.731 -8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -17.154 13.395 -7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.452 13.400 -9.180 1.00 0.00 H new ATOM 790 N ASP A 47 -11.623 8.861 -8.724 1.00 0.00 N ATOM 791 CA ASP A 47 -11.453 8.193 -10.012 1.00 0.00 C ATOM 792 C ASP A 47 -10.655 6.902 -9.863 1.00 0.00 C ATOM 793 O ASP A 47 -10.684 6.040 -10.742 1.00 0.00 O ATOM 794 CB ASP A 47 -10.755 9.128 -11.003 1.00 0.00 C ATOM 795 CG ASP A 47 -10.561 8.489 -12.364 1.00 0.00 C ATOM 796 OD1 ASP A 47 -11.574 8.117 -12.995 1.00 0.00 O ATOM 797 OD2 ASP A 47 -9.398 8.360 -12.799 1.00 0.00 O ATOM 0 H ASP A 47 -11.200 9.788 -8.671 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.442 7.939 -10.393 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.342 10.040 -11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.785 9.420 -10.601 1.00 0.00 H new ATOM 802 N GLY A 48 -9.944 6.774 -8.748 1.00 0.00 N ATOM 803 CA GLY A 48 -9.150 5.584 -8.507 1.00 0.00 C ATOM 804 C GLY A 48 -7.770 5.910 -7.973 1.00 0.00 C ATOM 805 O GLY A 48 -7.100 5.052 -7.399 1.00 0.00 O ATOM 0 H GLY A 48 -9.904 7.473 -8.007 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.669 4.942 -7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.054 5.020 -9.435 1.00 0.00 H new ATOM 809 N ASN A 49 -7.347 7.157 -8.160 1.00 0.00 N ATOM 810 CA ASN A 49 -6.041 7.600 -7.691 1.00 0.00 C ATOM 811 C ASN A 49 -5.981 7.543 -6.172 1.00 0.00 C ATOM 812 O ASN A 49 -6.838 8.108 -5.494 1.00 0.00 O ATOM 813 CB ASN A 49 -5.776 9.036 -8.153 1.00 0.00 C ATOM 814 CG ASN A 49 -5.956 9.206 -9.653 1.00 0.00 C ATOM 815 OD1 ASN A 49 -5.247 8.584 -10.444 1.00 0.00 O ATOM 816 ND2 ASN A 49 -6.908 10.048 -10.058 1.00 0.00 N ATOM 0 H ASN A 49 -7.891 7.878 -8.634 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.281 6.938 -8.107 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.451 9.713 -7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.761 9.322 -7.877 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.069 10.195 -11.054 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.475 10.545 -9.371 1.00 0.00 H new ATOM 823 N ILE A 50 -4.975 6.864 -5.632 1.00 0.00 N ATOM 824 CA ILE A 50 -4.838 6.757 -4.208 1.00 0.00 C ATOM 825 C ILE A 50 -3.383 6.836 -3.764 1.00 0.00 C ATOM 826 O ILE A 50 -2.468 6.533 -4.528 1.00 0.00 O ATOM 827 CB ILE A 50 -5.450 5.447 -3.680 1.00 0.00 C ATOM 828 CG1 ILE A 50 -5.340 5.419 -2.177 1.00 0.00 C ATOM 829 CG2 ILE A 50 -4.751 4.236 -4.261 1.00 0.00 C ATOM 830 CD1 ILE A 50 -6.171 4.345 -1.515 1.00 0.00 C ATOM 0 H ILE A 50 -4.251 6.385 -6.168 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.379 7.605 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.496 5.410 -3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.295 5.275 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.641 6.390 -1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.208 3.328 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.845 4.248 -5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.696 4.259 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.035 4.394 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.223 4.499 -1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.856 3.366 -1.877 1.00 0.00 H new ATOM 842 N LYS A 51 -3.188 7.220 -2.507 1.00 0.00 N ATOM 843 CA LYS A 51 -1.861 7.313 -1.931 1.00 0.00 C ATOM 844 C LYS A 51 -1.622 6.114 -1.029 1.00 0.00 C ATOM 845 O LYS A 51 -2.567 5.442 -0.627 1.00 0.00 O ATOM 846 CB LYS A 51 -1.706 8.594 -1.102 1.00 0.00 C ATOM 847 CG LYS A 51 -1.739 9.879 -1.911 1.00 0.00 C ATOM 848 CD LYS A 51 -3.125 10.167 -2.465 1.00 0.00 C ATOM 849 CE LYS A 51 -3.121 11.460 -3.275 1.00 0.00 C ATOM 850 NZ LYS A 51 -2.937 12.655 -2.405 1.00 0.00 N ATOM 0 H LYS A 51 -3.941 7.473 -1.867 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.136 7.333 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.502 8.628 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.763 8.547 -0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.419 10.711 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.027 9.808 -2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.451 9.338 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.841 10.246 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.322 11.423 -4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.059 11.549 -3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.091 13.518 -2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.621 12.623 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.971 12.659 -2.021 1.00 0.00 H new ATOM 864 N VAL A 52 -0.370 5.861 -0.696 1.00 0.00 N ATOM 865 CA VAL A 52 -0.033 4.757 0.184 1.00 0.00 C ATOM 866 C VAL A 52 0.872 5.256 1.295 1.00 0.00 C ATOM 867 O VAL A 52 2.038 4.867 1.377 1.00 0.00 O ATOM 868 CB VAL A 52 0.669 3.614 -0.570 1.00 0.00 C ATOM 869 CG1 VAL A 52 0.670 2.342 0.263 1.00 0.00 C ATOM 870 CG2 VAL A 52 0.013 3.384 -1.923 1.00 0.00 C ATOM 0 H VAL A 52 0.430 6.404 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.962 4.364 0.596 1.00 0.00 H new ATOM 0 HB VAL A 52 1.706 3.901 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.171 1.546 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.197 2.521 1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.357 2.045 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.523 2.572 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.035 3.121 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.080 4.294 -2.519 1.00 0.00 H new ATOM 880 N TYR A 53 0.336 6.141 2.137 1.00 0.00 N ATOM 881 CA TYR A 53 1.118 6.705 3.233 1.00 0.00 C ATOM 882 C TYR A 53 1.708 5.607 4.109 1.00 0.00 C ATOM 883 O TYR A 53 1.118 5.204 5.112 1.00 0.00 O ATOM 884 CB TYR A 53 0.291 7.665 4.091 1.00 0.00 C ATOM 885 CG TYR A 53 -0.253 8.862 3.336 1.00 0.00 C ATOM 886 CD1 TYR A 53 0.511 10.016 3.203 1.00 0.00 C ATOM 887 CD2 TYR A 53 -1.521 8.848 2.758 1.00 0.00 C ATOM 888 CE1 TYR A 53 0.033 11.117 2.520 1.00 0.00 C ATOM 889 CE2 TYR A 53 -2.003 9.948 2.073 1.00 0.00 C ATOM 890 CZ TYR A 53 -1.223 11.079 1.958 1.00 0.00 C ATOM 891 OH TYR A 53 -1.702 12.174 1.278 1.00 0.00 O ATOM 0 H TYR A 53 -0.625 6.478 2.081 1.00 0.00 H new ATOM 0 HA TYR A 53 1.931 7.271 2.779 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.543 7.116 4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.908 8.020 4.916 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.497 10.052 3.642 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.136 7.965 2.846 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.642 12.004 2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.987 9.921 1.629 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.603 11.982 0.943 1.00 0.00 H new ATOM 901 N ILE A 54 2.885 5.142 3.719 1.00 0.00 N ATOM 902 CA ILE A 54 3.593 4.098 4.451 1.00 0.00 C ATOM 903 C ILE A 54 4.562 4.724 5.455 1.00 0.00 C ATOM 904 O ILE A 54 5.209 5.724 5.151 1.00 0.00 O ATOM 905 CB ILE A 54 4.370 3.173 3.491 1.00 0.00 C ATOM 906 CG1 ILE A 54 3.395 2.366 2.629 1.00 0.00 C ATOM 907 CG2 ILE A 54 5.301 2.248 4.265 1.00 0.00 C ATOM 908 CD1 ILE A 54 4.088 1.424 1.645 1.00 0.00 C ATOM 0 H ILE A 54 3.376 5.475 2.890 1.00 0.00 H new ATOM 0 HA ILE A 54 2.852 3.500 4.982 1.00 0.00 H new ATOM 0 HB ILE A 54 4.982 3.792 2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.743 1.783 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.758 3.054 2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.838 1.605 3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.015 2.843 4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.716 1.632 4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.337 0.885 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.718 2.003 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.703 0.712 2.195 1.00 0.00 H new ATOM 920 N THR A 55 4.656 4.145 6.651 1.00 0.00 N ATOM 921 CA THR A 55 5.543 4.675 7.679 1.00 0.00 C ATOM 922 C THR A 55 6.904 3.978 7.659 1.00 0.00 C ATOM 923 O THR A 55 7.039 2.853 8.143 1.00 0.00 O ATOM 924 CB THR A 55 4.906 4.519 9.062 1.00 0.00 C ATOM 925 OG1 THR A 55 3.654 5.179 9.114 1.00 0.00 O ATOM 926 CG2 THR A 55 5.762 5.074 10.182 1.00 0.00 C ATOM 0 H THR A 55 4.132 3.315 6.929 1.00 0.00 H new ATOM 0 HA THR A 55 5.698 5.733 7.466 1.00 0.00 H new ATOM 0 HB THR A 55 4.794 3.445 9.209 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.262 5.067 10.005 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.252 4.931 11.135 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.719 4.553 10.201 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.932 6.138 10.017 1.00 0.00 H new ATOM 934 N GLN A 56 7.913 4.653 7.113 1.00 0.00 N ATOM 935 CA GLN A 56 9.258 4.101 7.052 1.00 0.00 C ATOM 936 C GLN A 56 10.283 5.217 7.231 1.00 0.00 C ATOM 937 O GLN A 56 10.084 6.334 6.750 1.00 0.00 O ATOM 938 CB GLN A 56 9.492 3.367 5.724 1.00 0.00 C ATOM 939 CG GLN A 56 9.632 4.276 4.509 1.00 0.00 C ATOM 940 CD GLN A 56 8.401 5.121 4.247 1.00 0.00 C ATOM 941 OE1 GLN A 56 8.095 6.043 4.998 1.00 0.00 O ATOM 942 NE2 GLN A 56 7.682 4.806 3.179 1.00 0.00 N ATOM 0 H GLN A 56 7.821 5.584 6.707 1.00 0.00 H new ATOM 0 HA GLN A 56 9.373 3.377 7.859 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.394 2.762 5.813 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.663 2.680 5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.491 4.932 4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.839 3.666 3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.970 4.032 2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.840 5.337 2.956 1.00 0.00 H new ATOM 951 N ASP A 57 11.368 4.913 7.936 1.00 0.00 N ATOM 952 CA ASP A 57 12.426 5.888 8.194 1.00 0.00 C ATOM 953 C ASP A 57 11.978 6.948 9.202 1.00 0.00 C ATOM 954 O ASP A 57 12.804 7.685 9.740 1.00 0.00 O ATOM 955 CB ASP A 57 12.877 6.559 6.892 1.00 0.00 C ATOM 956 CG ASP A 57 13.439 5.568 5.891 1.00 0.00 C ATOM 957 OD1 ASP A 57 13.485 4.361 6.211 1.00 0.00 O ATOM 958 OD2 ASP A 57 13.836 5.999 4.789 1.00 0.00 O ATOM 0 H ASP A 57 11.540 3.993 8.342 1.00 0.00 H new ATOM 0 HA ASP A 57 13.269 5.347 8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.031 7.082 6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.633 7.311 7.118 1.00 0.00 H new ATOM 963 N GLY A 58 10.672 7.016 9.467 1.00 0.00 N ATOM 964 CA GLY A 58 10.167 7.987 10.424 1.00 0.00 C ATOM 965 C GLY A 58 8.987 8.800 9.914 1.00 0.00 C ATOM 966 O GLY A 58 8.212 9.332 10.709 1.00 0.00 O ATOM 0 H GLY A 58 9.962 6.421 9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.870 7.465 11.334 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.974 8.668 10.696 1.00 0.00 H new ATOM 970 N ILE A 59 8.847 8.909 8.594 1.00 0.00 N ATOM 971 CA ILE A 59 7.749 9.675 8.008 1.00 0.00 C ATOM 972 C ILE A 59 6.884 8.810 7.100 1.00 0.00 C ATOM 973 O ILE A 59 7.350 7.813 6.553 1.00 0.00 O ATOM 974 CB ILE A 59 8.275 10.880 7.191 1.00 0.00 C ATOM 975 CG1 ILE A 59 8.919 11.912 8.123 1.00 0.00 C ATOM 976 CG2 ILE A 59 7.154 11.517 6.365 1.00 0.00 C ATOM 977 CD1 ILE A 59 9.531 13.091 7.398 1.00 0.00 C ATOM 0 H ILE A 59 9.475 8.480 7.914 1.00 0.00 H new ATOM 0 HA ILE A 59 7.146 10.036 8.841 1.00 0.00 H new ATOM 0 HB ILE A 59 9.033 10.518 6.497 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.166 12.278 8.821 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.691 11.421 8.716 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.552 12.361 5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.747 10.779 5.674 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.364 11.865 7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.967 13.778 8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.308 12.738 6.720 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.759 13.608 6.827 1.00 0.00 H new ATOM 989 N THR A 60 5.630 9.214 6.927 1.00 0.00 N ATOM 990 CA THR A 60 4.711 8.492 6.066 1.00 0.00 C ATOM 991 C THR A 60 4.625 9.198 4.708 1.00 0.00 C ATOM 992 O THR A 60 4.611 10.429 4.652 1.00 0.00 O ATOM 993 CB THR A 60 3.330 8.409 6.716 1.00 0.00 C ATOM 994 OG1 THR A 60 2.482 7.550 5.983 1.00 0.00 O ATOM 995 CG2 THR A 60 2.642 9.750 6.821 1.00 0.00 C ATOM 0 H THR A 60 5.230 10.039 7.374 1.00 0.00 H new ATOM 0 HA THR A 60 5.078 7.476 5.917 1.00 0.00 H new ATOM 0 HB THR A 60 3.505 8.026 7.721 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.838 7.130 6.590 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.667 9.623 7.291 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.250 10.425 7.424 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.512 10.171 5.824 1.00 0.00 H new ATOM 1003 N GLN A 61 4.595 8.435 3.614 1.00 0.00 N ATOM 1004 CA GLN A 61 4.541 9.029 2.278 1.00 0.00 C ATOM 1005 C GLN A 61 3.637 8.210 1.360 1.00 0.00 C ATOM 1006 O GLN A 61 3.427 7.024 1.598 1.00 0.00 O ATOM 1007 CB GLN A 61 5.953 9.083 1.686 1.00 0.00 C ATOM 1008 CG GLN A 61 7.045 9.277 2.723 1.00 0.00 C ATOM 1009 CD GLN A 61 8.401 8.825 2.222 1.00 0.00 C ATOM 1010 OE1 GLN A 61 8.960 9.403 1.290 1.00 0.00 O ATOM 1011 NE2 GLN A 61 8.929 7.773 2.836 1.00 0.00 N ATOM 0 H GLN A 61 4.607 7.415 3.626 1.00 0.00 H new ATOM 0 HA GLN A 61 4.134 10.037 2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.143 8.159 1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.003 9.897 0.963 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.096 10.330 3.001 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.789 8.721 3.625 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.428 7.326 3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.835 7.411 2.539 1.00 0.00 H new ATOM 1020 N PRO A 62 3.101 8.823 0.282 1.00 0.00 N ATOM 1021 CA PRO A 62 2.232 8.126 -0.675 1.00 0.00 C ATOM 1022 C PRO A 62 3.027 7.193 -1.576 1.00 0.00 C ATOM 1023 O PRO A 62 2.991 7.332 -2.798 1.00 0.00 O ATOM 1024 CB PRO A 62 1.638 9.269 -1.504 1.00 0.00 C ATOM 1025 CG PRO A 62 2.697 10.302 -1.485 1.00 0.00 C ATOM 1026 CD PRO A 62 3.309 10.232 -0.102 1.00 0.00 C ATOM 0 HA PRO A 62 1.487 7.503 -0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.408 8.949 -2.520 1.00 0.00 H new ATOM 0 HB3 PRO A 62 0.710 9.639 -1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.445 10.111 -2.255 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.283 11.291 -1.681 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.367 10.495 -0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.819 10.916 0.591 1.00 0.00 H new ATOM 1034 N PHE A 63 3.750 6.261 -0.948 1.00 0.00 N ATOM 1035 CA PHE A 63 4.594 5.287 -1.655 1.00 0.00 C ATOM 1036 C PHE A 63 4.427 5.402 -3.173 1.00 0.00 C ATOM 1037 O PHE A 63 3.630 4.674 -3.767 1.00 0.00 O ATOM 1038 CB PHE A 63 4.267 3.855 -1.208 1.00 0.00 C ATOM 1039 CG PHE A 63 5.477 2.954 -1.194 1.00 0.00 C ATOM 1040 CD1 PHE A 63 6.554 3.240 -0.363 1.00 0.00 C ATOM 1041 CD2 PHE A 63 5.544 1.827 -2.002 1.00 0.00 C ATOM 1042 CE1 PHE A 63 7.667 2.421 -0.340 1.00 0.00 C ATOM 1043 CE2 PHE A 63 6.657 1.010 -1.979 1.00 0.00 C ATOM 1044 CZ PHE A 63 7.719 1.306 -1.149 1.00 0.00 C ATOM 0 H PHE A 63 3.768 6.159 0.067 1.00 0.00 H new ATOM 0 HA PHE A 63 5.630 5.512 -1.402 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.829 3.882 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.515 3.434 -1.875 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.521 4.113 0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.718 1.587 -2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.496 2.654 0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.696 0.136 -2.613 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.589 0.666 -1.133 1.00 0.00 H new ATOM 1054 N PRO A 64 5.147 6.347 -3.826 1.00 0.00 N ATOM 1055 CA PRO A 64 5.050 6.585 -5.260 1.00 0.00 C ATOM 1056 C PRO A 64 6.249 6.069 -6.080 1.00 0.00 C ATOM 1057 O PRO A 64 6.754 6.790 -6.941 1.00 0.00 O ATOM 1058 CB PRO A 64 5.053 8.105 -5.277 1.00 0.00 C ATOM 1059 CG PRO A 64 6.036 8.474 -4.206 1.00 0.00 C ATOM 1060 CD PRO A 64 6.083 7.311 -3.231 1.00 0.00 C ATOM 0 HA PRO A 64 4.194 6.078 -5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.356 8.493 -6.249 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.063 8.509 -5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.021 8.660 -4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.730 9.390 -3.700 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.088 6.897 -3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.773 7.610 -2.230 1.00 0.00 H new ATOM 1068 N PRO A 65 6.736 4.834 -5.839 1.00 0.00 N ATOM 1069 CA PRO A 65 7.877 4.289 -6.576 1.00 0.00 C ATOM 1070 C PRO A 65 7.472 3.704 -7.927 1.00 0.00 C ATOM 1071 O PRO A 65 8.355 3.568 -8.800 1.00 0.00 O ATOM 1072 CB PRO A 65 8.367 3.191 -5.639 1.00 0.00 C ATOM 1073 CG PRO A 65 7.116 2.655 -5.055 1.00 0.00 C ATOM 1074 CD PRO A 65 6.240 3.872 -4.837 1.00 0.00 C ATOM 1075 OXT PRO A 65 6.277 3.387 -8.098 1.00 0.00 O ATOM 0 HA PRO A 65 8.625 5.045 -6.817 1.00 0.00 H new ATOM 0 HB2 PRO A 65 8.921 2.422 -6.177 1.00 0.00 H new ATOM 0 HB3 PRO A 65 9.032 3.585 -4.871 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.640 1.940 -5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.309 2.133 -4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.186 3.641 -4.989 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.338 4.261 -3.824 1.00 0.00 H new TER 1083 PRO A 65