USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 60 ASN : amide:sc= 0.767 K(o=1.8,f=-0.55) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.02 K(o=1.8,f=-0.24) USER MOD Set 2.1: A 55 THR OG1 : rot -71:sc= 1.06 USER MOD Set 2.2: A 57 SER OG : rot -81:sc= 0.959 USER MOD Set 3.1: A 7 THR OG1 : rot 154:sc= 1.26 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= 2.57 (180deg=1.81) USER MOD Single : A 2 GLN : amide:sc= 0.00655 X(o=0.0066,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 0.455 (180deg=0.368) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00189 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=0.000619 USER MOD Single : A 25 ASN : amide:sc= 1.06 K(o=1.1,f=-0.46) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0.558 (180deg=0.479) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 1.76 (180deg=1.63) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.07) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.59 K(o=1.6,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.656 K(o=0.66,f=-4.3!) USER MOD Single : A 59 TYR OH : rot -163:sc= 1.64 USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= -0.0216 (180deg=-0.172) USER MOD Single : A 65 SER OG : rot 70:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.254 52.035 19.326 1.00 0.00 N ATOM 2 CA MET A 1 33.356 52.313 20.767 1.00 0.00 C ATOM 3 C MET A 1 34.815 52.580 21.141 1.00 0.00 C ATOM 4 O MET A 1 35.712 51.992 20.542 1.00 0.00 O ATOM 5 CB MET A 1 32.813 51.173 21.624 1.00 0.00 C ATOM 6 CG MET A 1 31.299 51.016 21.507 1.00 0.00 C ATOM 7 SD MET A 1 30.616 49.706 22.553 1.00 0.00 S ATOM 8 CE MET A 1 28.882 49.801 22.042 1.00 0.00 C ATOM 0 H1 MET A 1 32.275 52.188 19.011 1.00 0.00 H new ATOM 0 H2 MET A 1 33.889 52.672 18.804 1.00 0.00 H new ATOM 0 H3 MET A 1 33.526 51.048 19.143 1.00 0.00 H new ATOM 0 HA MET A 1 32.745 53.193 20.967 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.295 50.241 21.328 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.076 51.351 22.667 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.824 51.962 21.769 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.044 50.808 20.468 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.301 49.058 22.588 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.493 50.796 22.258 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.807 49.606 20.972 1.00 0.00 H new ATOM 20 N GLN A 2 35.063 53.409 22.152 1.00 0.00 N ATOM 21 CA GLN A 2 36.396 53.650 22.667 1.00 0.00 C ATOM 22 C GLN A 2 36.803 52.596 23.699 1.00 0.00 C ATOM 23 O GLN A 2 36.060 52.318 24.637 1.00 0.00 O ATOM 24 CB GLN A 2 36.495 55.068 23.221 1.00 0.00 C ATOM 25 CG GLN A 2 37.922 55.408 23.642 1.00 0.00 C ATOM 26 CD GLN A 2 38.091 56.882 24.014 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.219 57.746 23.149 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.144 57.225 25.299 1.00 0.00 N ATOM 0 H GLN A 2 34.334 53.933 22.636 1.00 0.00 H new ATOM 0 HA GLN A 2 37.106 53.560 21.845 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.159 55.779 22.466 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.828 55.172 24.077 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.203 54.788 24.493 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.605 55.162 22.829 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.039 56.513 26.022 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.290 58.200 25.561 1.00 0.00 H new ATOM 37 N ILE A 3 38.030 52.095 23.586 1.00 0.00 N ATOM 38 CA ILE A 3 38.769 51.454 24.657 1.00 0.00 C ATOM 39 C ILE A 3 40.090 52.186 24.901 1.00 0.00 C ATOM 40 O ILE A 3 40.458 53.089 24.154 1.00 0.00 O ATOM 41 CB ILE A 3 38.958 49.960 24.415 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.821 49.671 23.190 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.606 49.254 24.352 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.256 48.214 23.062 1.00 0.00 C ATOM 0 H ILE A 3 38.552 52.128 22.710 1.00 0.00 H new ATOM 0 HA ILE A 3 38.178 51.527 25.570 1.00 0.00 H new ATOM 0 HB ILE A 3 39.508 49.554 25.264 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.267 49.953 22.294 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.709 50.302 23.228 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.759 48.189 24.179 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.077 49.396 25.295 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.015 49.672 23.538 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.865 48.094 22.166 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.839 47.930 23.938 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.375 47.576 22.990 1.00 0.00 H new ATOM 56 N PHE A 4 40.818 51.786 25.940 1.00 0.00 N ATOM 57 CA PHE A 4 42.097 52.347 26.327 1.00 0.00 C ATOM 58 C PHE A 4 43.216 51.308 26.251 1.00 0.00 C ATOM 59 O PHE A 4 42.995 50.133 26.535 1.00 0.00 O ATOM 60 CB PHE A 4 41.966 52.905 27.741 1.00 0.00 C ATOM 61 CG PHE A 4 41.086 54.124 27.888 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.391 55.296 27.185 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.996 54.109 28.766 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.629 56.454 27.381 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.222 55.260 28.952 1.00 0.00 C ATOM 66 CZ PHE A 4 39.546 56.439 28.269 1.00 0.00 C ATOM 0 H PHE A 4 40.516 51.032 26.556 1.00 0.00 H new ATOM 0 HA PHE A 4 42.366 53.144 25.634 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.576 52.118 28.387 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.962 53.153 28.107 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.217 55.307 26.489 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.751 53.204 29.303 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.876 57.360 26.847 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.375 55.239 29.622 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.962 57.334 28.427 1.00 0.00 H new ATOM 76 N VAL A 5 44.432 51.736 25.921 1.00 0.00 N ATOM 77 CA VAL A 5 45.624 50.913 25.903 1.00 0.00 C ATOM 78 C VAL A 5 46.765 51.646 26.611 1.00 0.00 C ATOM 79 O VAL A 5 46.968 52.836 26.379 1.00 0.00 O ATOM 80 CB VAL A 5 46.038 50.533 24.484 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.159 49.498 24.492 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.892 49.955 23.661 1.00 0.00 C ATOM 0 H VAL A 5 44.614 52.702 25.650 1.00 0.00 H new ATOM 0 HA VAL A 5 45.399 49.986 26.431 1.00 0.00 H new ATOM 0 HB VAL A 5 46.370 51.466 24.028 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.431 49.248 23.466 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.028 49.906 25.009 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.820 48.599 25.007 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.251 49.705 22.663 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.513 49.055 24.146 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.091 50.691 23.585 1.00 0.00 H new ATOM 92 N LYS A 6 47.523 50.953 27.456 1.00 0.00 N ATOM 93 CA LYS A 6 48.724 51.487 28.070 1.00 0.00 C ATOM 94 C LYS A 6 49.945 51.336 27.161 1.00 0.00 C ATOM 95 O LYS A 6 50.302 50.224 26.779 1.00 0.00 O ATOM 96 CB LYS A 6 48.975 50.847 29.433 1.00 0.00 C ATOM 97 CG LYS A 6 47.874 51.063 30.468 1.00 0.00 C ATOM 98 CD LYS A 6 47.453 52.509 30.713 1.00 0.00 C ATOM 99 CE LYS A 6 48.584 53.466 31.076 1.00 0.00 C ATOM 100 NZ LYS A 6 49.249 53.107 32.339 1.00 0.00 N ATOM 0 H LYS A 6 47.314 49.994 27.734 1.00 0.00 H new ATOM 0 HA LYS A 6 48.562 52.554 28.220 1.00 0.00 H new ATOM 0 HB2 LYS A 6 49.114 49.775 29.293 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.910 51.239 29.834 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.995 50.499 30.156 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.206 50.638 31.415 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.957 52.882 29.817 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.715 52.524 31.515 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.320 53.474 30.272 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.187 54.478 31.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.118 53.668 32.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.610 53.304 33.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.489 52.095 32.330 1.00 0.00 H new ATOM 114 N THR A 7 50.604 52.446 26.841 1.00 0.00 N ATOM 115 CA THR A 7 51.792 52.493 26.012 1.00 0.00 C ATOM 116 C THR A 7 53.025 51.906 26.702 1.00 0.00 C ATOM 117 O THR A 7 53.079 51.783 27.924 1.00 0.00 O ATOM 118 CB THR A 7 52.112 53.922 25.585 1.00 0.00 C ATOM 119 OG1 THR A 7 52.428 54.710 26.711 1.00 0.00 O ATOM 120 CG2 THR A 7 50.962 54.602 24.848 1.00 0.00 C ATOM 0 H THR A 7 50.310 53.367 27.166 1.00 0.00 H new ATOM 0 HA THR A 7 51.562 51.882 25.140 1.00 0.00 H new ATOM 0 HB THR A 7 52.959 53.845 24.903 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.016 55.446 26.441 1.00 0.00 H new ATOM 0 HG21 THR A 7 51.255 55.615 24.572 1.00 0.00 H new ATOM 0 HG22 THR A 7 50.722 54.036 23.948 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.087 54.641 25.497 1.00 0.00 H new ATOM 128 N LEU A 8 54.075 51.630 25.933 1.00 0.00 N ATOM 129 CA LEU A 8 55.406 51.332 26.420 1.00 0.00 C ATOM 130 C LEU A 8 56.013 52.493 27.211 1.00 0.00 C ATOM 131 O LEU A 8 56.847 52.288 28.090 1.00 0.00 O ATOM 132 CB LEU A 8 56.260 50.971 25.209 1.00 0.00 C ATOM 133 CG LEU A 8 57.687 50.524 25.514 1.00 0.00 C ATOM 134 CD1 LEU A 8 57.734 49.244 26.343 1.00 0.00 C ATOM 135 CD2 LEU A 8 58.437 50.270 24.210 1.00 0.00 C ATOM 0 H LEU A 8 54.013 51.609 24.915 1.00 0.00 H new ATOM 0 HA LEU A 8 55.363 50.499 27.122 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.759 50.174 24.659 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.304 51.836 24.548 1.00 0.00 H new ATOM 0 HG LEU A 8 58.151 51.325 26.089 1.00 0.00 H new ATOM 0 HD11 LEU A 8 58.772 48.970 26.531 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.223 49.406 27.292 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.240 48.439 25.798 1.00 0.00 H new ATOM 0 HD21 LEU A 8 59.455 49.951 24.432 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.928 49.490 23.643 1.00 0.00 H new ATOM 0 HD23 LEU A 8 58.464 51.187 23.621 1.00 0.00 H new ATOM 147 N THR A 9 55.570 53.721 26.954 1.00 0.00 N ATOM 148 CA THR A 9 55.906 54.920 27.695 1.00 0.00 C ATOM 149 C THR A 9 55.050 55.146 28.944 1.00 0.00 C ATOM 150 O THR A 9 55.195 56.165 29.615 1.00 0.00 O ATOM 151 CB THR A 9 55.849 56.143 26.784 1.00 0.00 C ATOM 152 OG1 THR A 9 54.573 56.261 26.195 1.00 0.00 O ATOM 153 CG2 THR A 9 56.865 56.087 25.647 1.00 0.00 C ATOM 0 H THR A 9 54.933 53.910 26.180 1.00 0.00 H new ATOM 0 HA THR A 9 56.924 54.771 28.055 1.00 0.00 H new ATOM 0 HB THR A 9 56.077 56.996 27.424 1.00 0.00 H new ATOM 0 HG1 THR A 9 54.552 57.051 25.615 1.00 0.00 H new ATOM 0 HG21 THR A 9 56.775 56.984 25.034 1.00 0.00 H new ATOM 0 HG22 THR A 9 57.872 56.029 26.061 1.00 0.00 H new ATOM 0 HG23 THR A 9 56.675 55.207 25.032 1.00 0.00 H new ATOM 161 N GLY A 10 54.165 54.212 29.280 1.00 0.00 N ATOM 162 CA GLY A 10 53.418 54.165 30.521 1.00 0.00 C ATOM 163 C GLY A 10 52.139 55.002 30.586 1.00 0.00 C ATOM 164 O GLY A 10 51.457 54.932 31.605 1.00 0.00 O ATOM 0 H GLY A 10 53.943 53.433 28.661 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.155 53.126 30.721 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.077 54.488 31.327 1.00 0.00 H new ATOM 168 N LYS A 11 51.786 55.751 29.545 1.00 0.00 N ATOM 169 CA LYS A 11 50.589 56.565 29.482 1.00 0.00 C ATOM 170 C LYS A 11 49.429 55.848 28.787 1.00 0.00 C ATOM 171 O LYS A 11 49.614 54.774 28.219 1.00 0.00 O ATOM 172 CB LYS A 11 50.902 57.928 28.873 1.00 0.00 C ATOM 173 CG LYS A 11 51.069 57.968 27.356 1.00 0.00 C ATOM 174 CD LYS A 11 51.349 59.400 26.909 1.00 0.00 C ATOM 175 CE LYS A 11 51.264 59.557 25.394 1.00 0.00 C ATOM 176 NZ LYS A 11 51.588 60.934 24.988 1.00 0.00 N ATOM 0 H LYS A 11 52.349 55.806 28.696 1.00 0.00 H new ATOM 0 HA LYS A 11 50.245 56.737 30.502 1.00 0.00 H new ATOM 0 HB2 LYS A 11 50.103 58.617 29.148 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.818 58.304 29.328 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.888 57.315 27.053 1.00 0.00 H new ATOM 0 HG3 LYS A 11 50.167 57.595 26.871 1.00 0.00 H new ATOM 0 HD2 LYS A 11 50.635 60.073 27.383 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.341 59.698 27.248 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.952 58.861 24.913 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.261 59.300 25.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.523 61.015 23.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 50.916 61.593 25.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.554 61.168 25.294 1.00 0.00 H new ATOM 190 N THR A 12 48.232 56.428 28.815 1.00 0.00 N ATOM 191 CA THR A 12 47.048 55.858 28.207 1.00 0.00 C ATOM 192 C THR A 12 46.724 56.494 26.853 1.00 0.00 C ATOM 193 O THR A 12 46.568 57.710 26.757 1.00 0.00 O ATOM 194 CB THR A 12 45.850 55.955 29.148 1.00 0.00 C ATOM 195 OG1 THR A 12 46.171 55.368 30.390 1.00 0.00 O ATOM 196 CG2 THR A 12 44.660 55.176 28.597 1.00 0.00 C ATOM 0 H THR A 12 48.062 57.324 29.271 1.00 0.00 H new ATOM 0 HA THR A 12 47.264 54.805 28.024 1.00 0.00 H new ATOM 0 HB THR A 12 45.602 57.011 29.252 1.00 0.00 H new ATOM 0 HG1 THR A 12 45.400 55.434 30.992 1.00 0.00 H new ATOM 0 HG21 THR A 12 43.819 55.261 29.286 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.377 55.583 27.626 1.00 0.00 H new ATOM 0 HG23 THR A 12 44.933 54.127 28.485 1.00 0.00 H new ATOM 204 N ILE A 13 46.554 55.667 25.826 1.00 0.00 N ATOM 205 CA ILE A 13 46.072 56.039 24.511 1.00 0.00 C ATOM 206 C ILE A 13 44.708 55.414 24.210 1.00 0.00 C ATOM 207 O ILE A 13 44.328 54.420 24.825 1.00 0.00 O ATOM 208 CB ILE A 13 47.090 55.733 23.416 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.482 54.259 23.352 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.293 56.658 23.573 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.240 53.875 22.085 1.00 0.00 C ATOM 0 H ILE A 13 46.761 54.671 25.898 1.00 0.00 H new ATOM 0 HA ILE A 13 45.937 57.121 24.519 1.00 0.00 H new ATOM 0 HB ILE A 13 46.621 55.930 22.452 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.098 54.019 24.219 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.581 53.650 23.423 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.022 56.442 22.792 1.00 0.00 H new ATOM 0 HG22 ILE A 13 47.968 57.695 23.489 1.00 0.00 H new ATOM 0 HG23 ILE A 13 48.749 56.499 24.550 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.483 52.813 22.114 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.619 54.081 21.213 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.160 54.456 22.021 1.00 0.00 H new ATOM 223 N THR A 14 43.968 55.986 23.266 1.00 0.00 N ATOM 224 CA THR A 14 42.660 55.531 22.841 1.00 0.00 C ATOM 225 C THR A 14 42.732 54.548 21.670 1.00 0.00 C ATOM 226 O THR A 14 43.591 54.666 20.799 1.00 0.00 O ATOM 227 CB THR A 14 41.781 56.714 22.443 1.00 0.00 C ATOM 228 OG1 THR A 14 42.419 57.484 21.450 1.00 0.00 O ATOM 229 CG2 THR A 14 41.484 57.628 23.628 1.00 0.00 C ATOM 0 H THR A 14 44.281 56.813 22.758 1.00 0.00 H new ATOM 0 HA THR A 14 42.224 55.011 23.694 1.00 0.00 H new ATOM 0 HB THR A 14 40.845 56.298 22.070 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.845 58.238 21.202 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.856 58.456 23.300 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.965 57.063 24.402 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.419 58.019 24.030 1.00 0.00 H new ATOM 237 N LEU A 15 41.790 53.611 21.614 1.00 0.00 N ATOM 238 CA LEU A 15 41.539 52.762 20.467 1.00 0.00 C ATOM 239 C LEU A 15 40.052 52.766 20.110 1.00 0.00 C ATOM 240 O LEU A 15 39.212 52.653 21.000 1.00 0.00 O ATOM 241 CB LEU A 15 42.056 51.352 20.742 1.00 0.00 C ATOM 242 CG LEU A 15 42.851 50.747 19.587 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.234 51.379 19.467 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.044 49.255 19.840 1.00 0.00 C ATOM 0 H LEU A 15 41.162 53.420 22.395 1.00 0.00 H new ATOM 0 HA LEU A 15 42.077 53.154 19.604 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.686 51.374 21.631 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.210 50.703 20.967 1.00 0.00 H new ATOM 0 HG LEU A 15 42.293 50.929 18.669 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.771 50.924 18.635 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.131 52.450 19.290 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.790 51.216 20.390 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.611 48.817 19.019 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.588 49.112 20.774 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.071 48.769 19.909 1.00 0.00 H new ATOM 256 N GLU A 16 39.731 52.859 18.823 1.00 0.00 N ATOM 257 CA GLU A 16 38.380 52.881 18.302 1.00 0.00 C ATOM 258 C GLU A 16 38.042 51.529 17.671 1.00 0.00 C ATOM 259 O GLU A 16 38.642 51.125 16.677 1.00 0.00 O ATOM 260 CB GLU A 16 38.251 54.073 17.357 1.00 0.00 C ATOM 261 CG GLU A 16 36.952 54.162 16.561 1.00 0.00 C ATOM 262 CD GLU A 16 35.706 54.175 17.449 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.372 55.243 18.007 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.049 53.121 17.585 1.00 0.00 O ATOM 0 H GLU A 16 40.438 52.923 18.090 1.00 0.00 H new ATOM 0 HA GLU A 16 37.642 53.020 19.092 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.359 54.987 17.941 1.00 0.00 H new ATOM 0 HB3 GLU A 16 39.083 54.045 16.653 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.967 55.066 15.952 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.894 53.317 15.875 1.00 0.00 H new ATOM 271 N VAL A 17 37.129 50.789 18.295 1.00 0.00 N ATOM 272 CA VAL A 17 36.867 49.382 18.065 1.00 0.00 C ATOM 273 C VAL A 17 35.379 49.035 18.137 1.00 0.00 C ATOM 274 O VAL A 17 34.605 49.672 18.848 1.00 0.00 O ATOM 275 CB VAL A 17 37.630 48.507 19.055 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.143 48.618 18.893 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.278 48.812 20.508 1.00 0.00 C ATOM 0 H VAL A 17 36.522 51.183 19.014 1.00 0.00 H new ATOM 0 HA VAL A 17 37.213 49.180 17.051 1.00 0.00 H new ATOM 0 HB VAL A 17 37.317 47.490 18.818 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.635 47.975 19.622 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.425 48.308 17.887 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.451 49.651 19.054 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.851 48.159 21.166 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.518 49.852 20.730 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.213 48.643 20.667 1.00 0.00 H new ATOM 287 N GLU A 18 34.984 47.958 17.464 1.00 0.00 N ATOM 288 CA GLU A 18 33.706 47.315 17.692 1.00 0.00 C ATOM 289 C GLU A 18 33.836 46.232 18.765 1.00 0.00 C ATOM 290 O GLU A 18 34.859 45.551 18.799 1.00 0.00 O ATOM 291 CB GLU A 18 33.158 46.721 16.398 1.00 0.00 C ATOM 292 CG GLU A 18 32.288 47.694 15.610 1.00 0.00 C ATOM 293 CD GLU A 18 33.044 48.953 15.182 1.00 0.00 C ATOM 294 OE1 GLU A 18 32.921 49.991 15.869 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.770 48.908 14.165 1.00 0.00 O ATOM 0 H GLU A 18 35.549 47.509 16.743 1.00 0.00 H new ATOM 0 HA GLU A 18 33.003 48.070 18.044 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.991 46.400 15.772 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.574 45.831 16.633 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.899 47.191 14.725 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.429 47.980 16.217 1.00 0.00 H new ATOM 302 N PRO A 19 32.812 45.943 19.564 1.00 0.00 N ATOM 303 CA PRO A 19 32.773 44.753 20.390 1.00 0.00 C ATOM 304 C PRO A 19 32.924 43.438 19.621 1.00 0.00 C ATOM 305 O PRO A 19 33.216 42.403 20.216 1.00 0.00 O ATOM 306 CB PRO A 19 31.448 44.819 21.145 1.00 0.00 C ATOM 307 CG PRO A 19 31.105 46.305 21.162 1.00 0.00 C ATOM 308 CD PRO A 19 31.675 46.799 19.835 1.00 0.00 C ATOM 0 HA PRO A 19 33.633 44.747 21.059 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.674 44.237 20.645 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.544 44.420 22.155 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.030 46.471 21.227 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.558 46.815 22.012 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.933 46.731 19.039 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.977 47.844 19.901 1.00 0.00 H new ATOM 316 N SER A 20 32.744 43.471 18.304 1.00 0.00 N ATOM 317 CA SER A 20 32.990 42.384 17.379 1.00 0.00 C ATOM 318 C SER A 20 34.335 42.431 16.652 1.00 0.00 C ATOM 319 O SER A 20 34.574 41.578 15.799 1.00 0.00 O ATOM 320 CB SER A 20 31.811 42.231 16.421 1.00 0.00 C ATOM 321 OG SER A 20 30.645 41.940 17.158 1.00 0.00 O ATOM 0 H SER A 20 32.403 44.309 17.833 1.00 0.00 H new ATOM 0 HA SER A 20 33.073 41.486 17.991 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.673 43.147 15.847 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.011 41.434 15.705 1.00 0.00 H new ATOM 0 HG SER A 20 29.886 41.843 16.545 1.00 0.00 H new ATOM 327 N ASP A 21 35.240 43.351 16.975 1.00 0.00 N ATOM 328 CA ASP A 21 36.617 43.275 16.531 1.00 0.00 C ATOM 329 C ASP A 21 37.357 42.125 17.218 1.00 0.00 C ATOM 330 O ASP A 21 37.174 41.889 18.410 1.00 0.00 O ATOM 331 CB ASP A 21 37.376 44.575 16.783 1.00 0.00 C ATOM 332 CG ASP A 21 37.272 45.595 15.648 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.316 45.190 14.466 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.259 46.816 15.915 1.00 0.00 O ATOM 0 H ASP A 21 35.034 44.167 17.551 1.00 0.00 H new ATOM 0 HA ASP A 21 36.582 43.097 15.456 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.000 45.029 17.700 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.427 44.341 16.951 1.00 0.00 H new ATOM 339 N THR A 22 38.223 41.444 16.473 1.00 0.00 N ATOM 340 CA THR A 22 39.107 40.411 16.977 1.00 0.00 C ATOM 341 C THR A 22 40.414 40.969 17.541 1.00 0.00 C ATOM 342 O THR A 22 40.782 42.114 17.288 1.00 0.00 O ATOM 343 CB THR A 22 39.417 39.371 15.905 1.00 0.00 C ATOM 344 OG1 THR A 22 39.947 40.000 14.760 1.00 0.00 O ATOM 345 CG2 THR A 22 38.176 38.588 15.484 1.00 0.00 C ATOM 0 H THR A 22 38.328 41.605 15.471 1.00 0.00 H new ATOM 0 HA THR A 22 38.568 39.935 17.796 1.00 0.00 H new ATOM 0 HB THR A 22 40.138 38.678 16.339 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.144 39.325 14.078 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.447 37.860 14.719 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.762 38.069 16.349 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.431 39.275 15.083 1.00 0.00 H new ATOM 353 N ILE A 23 41.155 40.149 18.281 1.00 0.00 N ATOM 354 CA ILE A 23 42.418 40.553 18.867 1.00 0.00 C ATOM 355 C ILE A 23 43.465 40.875 17.799 1.00 0.00 C ATOM 356 O ILE A 23 44.268 41.783 18.000 1.00 0.00 O ATOM 357 CB ILE A 23 42.896 39.543 19.906 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.829 39.171 20.932 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.136 40.054 20.634 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.161 40.335 21.660 1.00 0.00 C ATOM 0 H ILE A 23 40.892 39.186 18.488 1.00 0.00 H new ATOM 0 HA ILE A 23 42.256 41.487 19.406 1.00 0.00 H new ATOM 0 HB ILE A 23 43.136 38.640 19.344 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.055 38.593 20.427 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.282 38.516 21.676 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.456 39.316 21.369 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.937 40.221 19.914 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.901 40.991 21.139 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.422 39.949 22.362 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.915 40.905 22.203 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.668 40.983 20.935 1.00 0.00 H new ATOM 372 N GLU A 24 43.411 40.265 16.619 1.00 0.00 N ATOM 373 CA GLU A 24 44.229 40.649 15.486 1.00 0.00 C ATOM 374 C GLU A 24 43.982 42.094 15.051 1.00 0.00 C ATOM 375 O GLU A 24 44.940 42.831 14.825 1.00 0.00 O ATOM 376 CB GLU A 24 44.012 39.722 14.292 1.00 0.00 C ATOM 377 CG GLU A 24 44.266 38.244 14.575 1.00 0.00 C ATOM 378 CD GLU A 24 42.971 37.505 14.919 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.412 37.718 16.017 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.507 36.711 14.072 1.00 0.00 O ATOM 0 H GLU A 24 42.788 39.481 16.426 1.00 0.00 H new ATOM 0 HA GLU A 24 45.261 40.562 15.824 1.00 0.00 H new ATOM 0 HB2 GLU A 24 42.987 39.839 13.940 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.666 40.040 13.480 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.729 37.781 13.704 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.971 38.147 15.401 1.00 0.00 H new ATOM 387 N ASN A 25 42.722 42.518 14.986 1.00 0.00 N ATOM 388 CA ASN A 25 42.358 43.875 14.631 1.00 0.00 C ATOM 389 C ASN A 25 42.840 44.872 15.687 1.00 0.00 C ATOM 390 O ASN A 25 43.364 45.931 15.352 1.00 0.00 O ATOM 391 CB ASN A 25 40.846 43.985 14.460 1.00 0.00 C ATOM 392 CG ASN A 25 40.234 43.133 13.347 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.889 42.381 12.628 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.920 43.243 13.178 1.00 0.00 N ATOM 0 H ASN A 25 41.921 41.917 15.182 1.00 0.00 H new ATOM 0 HA ASN A 25 42.845 44.119 13.687 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.373 43.710 15.403 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.597 45.029 14.270 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.452 42.703 12.450 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.379 43.868 13.776 1.00 0.00 H new ATOM 401 N VAL A 26 42.717 44.525 16.966 1.00 0.00 N ATOM 402 CA VAL A 26 43.215 45.322 18.067 1.00 0.00 C ATOM 403 C VAL A 26 44.735 45.477 17.989 1.00 0.00 C ATOM 404 O VAL A 26 45.227 46.601 18.040 1.00 0.00 O ATOM 405 CB VAL A 26 42.769 44.734 19.403 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.328 45.486 20.608 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.250 44.754 19.540 1.00 0.00 C ATOM 0 H VAL A 26 42.258 43.664 17.264 1.00 0.00 H new ATOM 0 HA VAL A 26 42.787 46.322 17.991 1.00 0.00 H new ATOM 0 HB VAL A 26 43.155 43.715 19.399 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.973 45.017 21.526 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.417 45.455 20.583 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.993 46.523 20.577 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.966 44.328 20.502 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.893 45.782 19.478 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.805 44.166 18.738 1.00 0.00 H new ATOM 417 N LYS A 27 45.484 44.399 17.771 1.00 0.00 N ATOM 418 CA LYS A 27 46.924 44.456 17.614 1.00 0.00 C ATOM 419 C LYS A 27 47.347 45.277 16.395 1.00 0.00 C ATOM 420 O LYS A 27 48.320 46.023 16.484 1.00 0.00 O ATOM 421 CB LYS A 27 47.514 43.050 17.543 1.00 0.00 C ATOM 422 CG LYS A 27 47.458 42.329 18.886 1.00 0.00 C ATOM 423 CD LYS A 27 48.166 40.977 18.867 1.00 0.00 C ATOM 424 CE LYS A 27 47.448 39.946 17.999 1.00 0.00 C ATOM 425 NZ LYS A 27 48.151 38.655 18.021 1.00 0.00 N ATOM 0 H LYS A 27 45.100 43.457 17.699 1.00 0.00 H new ATOM 0 HA LYS A 27 47.319 44.963 18.494 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.971 42.468 16.798 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.550 43.110 17.208 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.912 42.960 19.650 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.416 42.183 19.171 1.00 0.00 H new ATOM 0 HD2 LYS A 27 49.183 41.110 18.499 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.242 40.598 19.886 1.00 0.00 H new ATOM 0 HE2 LYS A 27 46.427 39.814 18.356 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.383 40.311 16.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.780 38.045 17.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.168 38.811 17.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.002 38.194 18.942 1.00 0.00 H new ATOM 439 N ALA A 28 46.618 45.198 15.284 1.00 0.00 N ATOM 440 CA ALA A 28 46.878 46.003 14.107 1.00 0.00 C ATOM 441 C ALA A 28 46.655 47.496 14.364 1.00 0.00 C ATOM 442 O ALA A 28 47.513 48.307 14.022 1.00 0.00 O ATOM 443 CB ALA A 28 46.026 45.479 12.954 1.00 0.00 C ATOM 0 H ALA A 28 45.824 44.566 15.181 1.00 0.00 H new ATOM 0 HA ALA A 28 47.931 45.912 13.839 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.213 46.077 12.062 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.284 44.439 12.754 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.971 45.546 13.221 1.00 0.00 H new ATOM 449 N LYS A 29 45.572 47.863 15.041 1.00 0.00 N ATOM 450 CA LYS A 29 45.273 49.220 15.451 1.00 0.00 C ATOM 451 C LYS A 29 46.305 49.781 16.431 1.00 0.00 C ATOM 452 O LYS A 29 46.574 50.980 16.408 1.00 0.00 O ATOM 453 CB LYS A 29 43.857 49.266 16.018 1.00 0.00 C ATOM 454 CG LYS A 29 42.771 49.146 14.953 1.00 0.00 C ATOM 455 CD LYS A 29 41.374 48.984 15.545 1.00 0.00 C ATOM 456 CE LYS A 29 40.327 48.956 14.436 1.00 0.00 C ATOM 457 NZ LYS A 29 38.944 48.915 14.934 1.00 0.00 N ATOM 0 H LYS A 29 44.856 47.195 15.327 1.00 0.00 H new ATOM 0 HA LYS A 29 45.329 49.868 14.576 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.737 48.459 16.741 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.721 50.202 16.560 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.791 50.033 14.319 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.990 48.292 14.313 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.323 48.063 16.126 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.165 49.805 16.231 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.452 49.838 13.807 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.503 48.086 13.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.286 49.068 14.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.758 47.987 15.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.809 49.661 15.646 1.00 0.00 H new ATOM 471 N ILE A 30 46.933 48.940 17.249 1.00 0.00 N ATOM 472 CA ILE A 30 48.021 49.304 18.134 1.00 0.00 C ATOM 473 C ILE A 30 49.342 49.482 17.382 1.00 0.00 C ATOM 474 O ILE A 30 50.060 50.443 17.648 1.00 0.00 O ATOM 475 CB ILE A 30 48.111 48.303 19.282 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.912 48.465 20.213 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.402 48.434 20.085 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.716 47.313 21.194 1.00 0.00 C ATOM 0 H ILE A 30 46.685 47.953 17.311 1.00 0.00 H new ATOM 0 HA ILE A 30 47.809 50.282 18.566 1.00 0.00 H new ATOM 0 HB ILE A 30 48.109 47.310 18.833 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.028 49.391 20.777 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.010 48.570 19.610 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.408 47.696 20.887 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.257 48.265 19.430 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.465 49.435 20.512 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.843 47.510 21.816 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.566 46.386 20.641 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.599 47.219 21.826 1.00 0.00 H new ATOM 490 N GLN A 31 49.656 48.626 16.415 1.00 0.00 N ATOM 491 CA GLN A 31 50.807 48.756 15.543 1.00 0.00 C ATOM 492 C GLN A 31 50.793 50.080 14.777 1.00 0.00 C ATOM 493 O GLN A 31 51.827 50.736 14.669 1.00 0.00 O ATOM 494 CB GLN A 31 50.854 47.543 14.617 1.00 0.00 C ATOM 495 CG GLN A 31 51.614 47.675 13.301 1.00 0.00 C ATOM 496 CD GLN A 31 53.136 47.807 13.398 1.00 0.00 C ATOM 497 OE1 GLN A 31 53.732 48.086 14.436 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.849 47.610 12.292 1.00 0.00 N ATOM 0 H GLN A 31 49.095 47.798 16.214 1.00 0.00 H new ATOM 0 HA GLN A 31 51.719 48.778 16.140 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.292 46.715 15.174 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.827 47.262 14.383 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.386 46.803 12.687 1.00 0.00 H new ATOM 0 HG3 GLN A 31 51.230 48.547 12.772 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.379 47.377 11.417 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.865 47.692 12.319 1.00 0.00 H new ATOM 507 N ASP A 32 49.632 50.506 14.287 1.00 0.00 N ATOM 508 CA ASP A 32 49.460 51.768 13.598 1.00 0.00 C ATOM 509 C ASP A 32 49.859 52.970 14.455 1.00 0.00 C ATOM 510 O ASP A 32 50.570 53.852 13.979 1.00 0.00 O ATOM 511 CB ASP A 32 48.010 51.863 13.131 1.00 0.00 C ATOM 512 CG ASP A 32 47.734 53.101 12.276 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.357 53.241 11.202 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.901 53.944 12.672 1.00 0.00 O ATOM 0 H ASP A 32 48.770 49.967 14.363 1.00 0.00 H new ATOM 0 HA ASP A 32 50.131 51.795 12.739 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.760 50.970 12.558 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.354 51.877 14.002 1.00 0.00 H new ATOM 519 N LYS A 33 49.457 52.997 15.723 1.00 0.00 N ATOM 520 CA LYS A 33 49.772 54.081 16.632 1.00 0.00 C ATOM 521 C LYS A 33 51.187 54.033 17.211 1.00 0.00 C ATOM 522 O LYS A 33 51.862 55.060 17.198 1.00 0.00 O ATOM 523 CB LYS A 33 48.719 54.188 17.732 1.00 0.00 C ATOM 524 CG LYS A 33 47.410 54.779 17.217 1.00 0.00 C ATOM 525 CD LYS A 33 46.459 55.154 18.350 1.00 0.00 C ATOM 526 CE LYS A 33 45.245 55.886 17.784 1.00 0.00 C ATOM 527 NZ LYS A 33 44.403 56.471 18.838 1.00 0.00 N ATOM 0 H LYS A 33 48.898 52.257 16.147 1.00 0.00 H new ATOM 0 HA LYS A 33 49.749 54.988 16.028 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.530 53.199 18.150 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.103 54.809 18.542 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.624 55.664 16.618 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.923 54.059 16.560 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.140 54.257 18.881 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.972 55.787 19.074 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.581 56.675 17.111 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.650 55.192 17.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.650 57.042 18.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.978 55.710 19.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.985 57.076 19.452 1.00 0.00 H new ATOM 541 N GLU A 34 51.648 52.882 17.694 1.00 0.00 N ATOM 542 CA GLU A 34 52.818 52.791 18.545 1.00 0.00 C ATOM 543 C GLU A 34 54.013 52.031 17.966 1.00 0.00 C ATOM 544 O GLU A 34 55.082 52.054 18.572 1.00 0.00 O ATOM 545 CB GLU A 34 52.417 52.224 19.903 1.00 0.00 C ATOM 546 CG GLU A 34 51.573 53.161 20.764 1.00 0.00 C ATOM 547 CD GLU A 34 52.331 54.429 21.162 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.013 54.443 22.210 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.264 55.433 20.421 1.00 0.00 O ATOM 0 H GLU A 34 51.211 51.981 17.500 1.00 0.00 H new ATOM 0 HA GLU A 34 53.185 53.813 18.640 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.862 51.299 19.745 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.321 51.963 20.453 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.670 53.437 20.219 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.254 52.635 21.663 1.00 0.00 H new ATOM 556 N GLY A 35 53.889 51.395 16.805 1.00 0.00 N ATOM 557 CA GLY A 35 55.025 50.848 16.089 1.00 0.00 C ATOM 558 C GLY A 35 55.649 49.595 16.704 1.00 0.00 C ATOM 559 O GLY A 35 56.873 49.487 16.751 1.00 0.00 O ATOM 0 H GLY A 35 52.995 51.247 16.338 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.713 50.615 15.071 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.793 51.618 16.019 1.00 0.00 H new ATOM 563 N ILE A 36 54.832 48.675 17.210 1.00 0.00 N ATOM 564 CA ILE A 36 55.230 47.366 17.684 1.00 0.00 C ATOM 565 C ILE A 36 54.444 46.328 16.878 1.00 0.00 C ATOM 566 O ILE A 36 53.224 46.294 17.022 1.00 0.00 O ATOM 567 CB ILE A 36 55.002 47.233 19.187 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.848 48.240 19.961 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.323 45.816 19.651 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.520 48.350 21.448 1.00 0.00 C ATOM 0 H ILE A 36 53.829 48.836 17.302 1.00 0.00 H new ATOM 0 HA ILE A 36 56.298 47.208 17.535 1.00 0.00 H new ATOM 0 HB ILE A 36 53.951 47.442 19.386 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.898 47.967 19.855 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.726 49.222 19.504 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.155 45.738 20.725 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.678 45.108 19.131 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.366 45.588 19.429 1.00 0.00 H new ATOM 0 HD11 ILE A 36 56.173 49.090 21.911 1.00 0.00 H new ATOM 0 HD12 ILE A 36 54.481 48.656 21.570 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.671 47.382 21.927 1.00 0.00 H new ATOM 582 N PRO A 37 55.068 45.500 16.046 1.00 0.00 N ATOM 583 CA PRO A 37 54.358 44.601 15.158 1.00 0.00 C ATOM 584 C PRO A 37 53.474 43.582 15.881 1.00 0.00 C ATOM 585 O PRO A 37 53.845 43.135 16.964 1.00 0.00 O ATOM 586 CB PRO A 37 55.414 43.906 14.303 1.00 0.00 C ATOM 587 CG PRO A 37 56.560 44.913 14.289 1.00 0.00 C ATOM 588 CD PRO A 37 56.471 45.529 15.682 1.00 0.00 C ATOM 0 HA PRO A 37 53.660 45.179 14.552 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.719 42.953 14.734 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.047 43.698 13.298 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.523 44.431 14.119 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.435 45.660 13.505 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.071 44.965 16.396 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.852 46.550 15.682 1.00 0.00 H new ATOM 596 N PRO A 38 52.343 43.163 15.322 1.00 0.00 N ATOM 597 CA PRO A 38 51.370 42.327 15.998 1.00 0.00 C ATOM 598 C PRO A 38 51.919 41.064 16.663 1.00 0.00 C ATOM 599 O PRO A 38 51.579 40.797 17.814 1.00 0.00 O ATOM 600 CB PRO A 38 50.325 41.975 14.942 1.00 0.00 C ATOM 601 CG PRO A 38 50.315 43.229 14.072 1.00 0.00 C ATOM 602 CD PRO A 38 51.791 43.615 14.061 1.00 0.00 C ATOM 0 HA PRO A 38 50.967 42.887 16.842 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.603 41.087 14.374 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.349 41.778 15.385 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.938 43.028 13.069 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.690 44.015 14.496 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.308 43.149 13.222 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.909 44.693 13.950 1.00 0.00 H new ATOM 610 N ASP A 39 52.814 40.315 16.025 1.00 0.00 N ATOM 611 CA ASP A 39 53.354 39.090 16.582 1.00 0.00 C ATOM 612 C ASP A 39 54.409 39.313 17.666 1.00 0.00 C ATOM 613 O ASP A 39 54.897 38.357 18.264 1.00 0.00 O ATOM 614 CB ASP A 39 53.856 38.184 15.460 1.00 0.00 C ATOM 615 CG ASP A 39 52.705 37.695 14.580 1.00 0.00 C ATOM 616 OD1 ASP A 39 51.891 36.876 15.059 1.00 0.00 O ATOM 617 OD2 ASP A 39 52.596 38.154 13.421 1.00 0.00 O ATOM 0 H ASP A 39 53.183 40.547 15.103 1.00 0.00 H new ATOM 0 HA ASP A 39 52.537 38.588 17.100 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.578 38.725 14.849 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.378 37.328 15.888 1.00 0.00 H new ATOM 622 N GLN A 40 54.762 40.567 17.940 1.00 0.00 N ATOM 623 CA GLN A 40 55.677 40.994 18.979 1.00 0.00 C ATOM 624 C GLN A 40 54.973 41.654 20.165 1.00 0.00 C ATOM 625 O GLN A 40 55.626 41.962 21.160 1.00 0.00 O ATOM 626 CB GLN A 40 56.757 41.877 18.359 1.00 0.00 C ATOM 627 CG GLN A 40 57.634 41.072 17.403 1.00 0.00 C ATOM 628 CD GLN A 40 58.701 41.919 16.707 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.652 42.142 15.499 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.720 42.374 17.429 1.00 0.00 N ATOM 0 H GLN A 40 54.391 41.354 17.407 1.00 0.00 H new ATOM 0 HA GLN A 40 56.151 40.111 19.408 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.293 42.705 17.823 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.373 42.312 19.146 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.121 40.269 17.956 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.002 40.603 16.649 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.758 42.188 18.431 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.464 42.910 16.981 1.00 0.00 H new ATOM 639 N GLN A 41 53.653 41.809 20.113 1.00 0.00 N ATOM 640 CA GLN A 41 52.827 42.272 21.210 1.00 0.00 C ATOM 641 C GLN A 41 52.333 41.100 22.060 1.00 0.00 C ATOM 642 O GLN A 41 52.041 40.033 21.527 1.00 0.00 O ATOM 643 CB GLN A 41 51.617 43.033 20.674 1.00 0.00 C ATOM 644 CG GLN A 41 51.920 44.263 19.823 1.00 0.00 C ATOM 645 CD GLN A 41 50.655 44.909 19.254 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.567 44.858 19.823 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.732 45.534 18.082 1.00 0.00 N ATOM 0 H GLN A 41 53.114 41.606 19.271 1.00 0.00 H new ATOM 0 HA GLN A 41 53.438 42.929 21.829 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.015 42.345 20.081 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.005 43.344 21.521 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.458 44.995 20.426 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.580 43.980 19.003 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.624 45.589 17.591 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.899 45.958 17.674 1.00 0.00 H new ATOM 656 N ARG A 42 52.111 41.312 23.355 1.00 0.00 N ATOM 657 CA ARG A 42 51.188 40.544 24.166 1.00 0.00 C ATOM 658 C ARG A 42 50.201 41.510 24.825 1.00 0.00 C ATOM 659 O ARG A 42 50.638 42.473 25.451 1.00 0.00 O ATOM 660 CB ARG A 42 51.928 39.718 25.213 1.00 0.00 C ATOM 661 CG ARG A 42 51.089 38.569 25.767 1.00 0.00 C ATOM 662 CD ARG A 42 51.736 37.890 26.971 1.00 0.00 C ATOM 663 NE ARG A 42 53.074 37.369 26.688 1.00 0.00 N ATOM 664 CZ ARG A 42 53.439 36.120 26.368 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.564 35.122 26.182 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.743 35.858 26.215 1.00 0.00 N ATOM 0 H ARG A 42 52.586 42.047 23.879 1.00 0.00 H new ATOM 0 HA ARG A 42 50.646 39.841 23.533 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.840 39.315 24.772 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.231 40.368 26.034 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.108 38.947 26.053 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.929 37.830 24.982 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.797 38.603 27.793 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.098 37.072 27.305 1.00 0.00 H new ATOM 0 HE ARG A 42 53.832 38.049 26.742 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.564 35.295 26.283 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.898 34.189 25.939 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.431 36.601 26.342 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.049 34.916 25.972 1.00 0.00 H new ATOM 680 N LEU A 43 48.903 41.252 24.691 1.00 0.00 N ATOM 681 CA LEU A 43 47.835 42.070 25.230 1.00 0.00 C ATOM 682 C LEU A 43 47.173 41.386 26.429 1.00 0.00 C ATOM 683 O LEU A 43 46.723 40.246 26.333 1.00 0.00 O ATOM 684 CB LEU A 43 46.813 42.402 24.147 1.00 0.00 C ATOM 685 CG LEU A 43 47.337 43.198 22.955 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.173 43.496 22.013 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.977 44.525 23.355 1.00 0.00 C ATOM 0 H LEU A 43 48.560 40.436 24.184 1.00 0.00 H new ATOM 0 HA LEU A 43 48.266 43.007 25.583 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.389 41.469 23.777 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.998 42.964 24.604 1.00 0.00 H new ATOM 0 HG LEU A 43 48.106 42.590 22.478 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.535 44.065 21.156 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.735 42.559 21.668 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.417 44.077 22.541 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.329 45.043 22.463 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.241 45.144 23.867 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.819 44.337 24.021 1.00 0.00 H new ATOM 699 N ILE A 44 47.113 42.099 27.550 1.00 0.00 N ATOM 700 CA ILE A 44 46.595 41.637 28.821 1.00 0.00 C ATOM 701 C ILE A 44 45.336 42.420 29.198 1.00 0.00 C ATOM 702 O ILE A 44 45.294 43.642 29.078 1.00 0.00 O ATOM 703 CB ILE A 44 47.650 41.717 29.922 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.018 41.155 29.544 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.159 41.048 31.203 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.051 39.683 29.141 1.00 0.00 C ATOM 0 H ILE A 44 47.443 43.063 27.592 1.00 0.00 H new ATOM 0 HA ILE A 44 46.327 40.586 28.714 1.00 0.00 H new ATOM 0 HB ILE A 44 47.795 42.785 30.083 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.415 41.746 28.719 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.692 41.295 30.389 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.930 41.120 31.970 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.254 41.547 31.550 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.941 39.999 31.005 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.073 39.396 28.894 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.692 39.071 29.968 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.411 39.529 28.272 1.00 0.00 H new ATOM 718 N PHE A 45 44.325 41.702 29.679 1.00 0.00 N ATOM 719 CA PHE A 45 43.099 42.232 30.241 1.00 0.00 C ATOM 720 C PHE A 45 42.666 41.386 31.441 1.00 0.00 C ATOM 721 O PHE A 45 42.653 40.160 31.361 1.00 0.00 O ATOM 722 CB PHE A 45 42.018 42.227 29.164 1.00 0.00 C ATOM 723 CG PHE A 45 40.652 42.665 29.636 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.432 44.003 29.980 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.605 41.742 29.746 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.185 44.416 30.463 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.348 42.158 30.200 1.00 0.00 C ATOM 728 CZ PHE A 45 38.137 43.493 30.567 1.00 0.00 C ATOM 0 H PHE A 45 44.346 40.682 29.685 1.00 0.00 H new ATOM 0 HA PHE A 45 43.260 43.254 30.584 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.333 42.880 28.350 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.939 41.221 28.753 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.230 44.722 29.872 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.767 40.708 29.480 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.031 45.444 30.755 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.538 41.447 30.268 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.170 43.809 30.929 1.00 0.00 H new ATOM 738 N ALA A 46 42.320 42.030 32.552 1.00 0.00 N ATOM 739 CA ALA A 46 42.007 41.383 33.811 1.00 0.00 C ATOM 740 C ALA A 46 43.039 40.336 34.233 1.00 0.00 C ATOM 741 O ALA A 46 42.702 39.236 34.664 1.00 0.00 O ATOM 742 CB ALA A 46 40.562 40.893 33.787 1.00 0.00 C ATOM 0 H ALA A 46 42.249 43.047 32.597 1.00 0.00 H new ATOM 0 HA ALA A 46 42.081 42.119 34.611 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.327 40.407 34.734 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.893 41.741 33.639 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.433 40.181 32.972 1.00 0.00 H new ATOM 748 N GLY A 47 44.321 40.653 34.072 1.00 0.00 N ATOM 749 CA GLY A 47 45.453 39.809 34.393 1.00 0.00 C ATOM 750 C GLY A 47 45.691 38.616 33.465 1.00 0.00 C ATOM 751 O GLY A 47 46.617 37.847 33.714 1.00 0.00 O ATOM 0 H GLY A 47 44.606 41.556 33.693 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.351 40.427 34.394 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.323 39.433 35.408 1.00 0.00 H new ATOM 755 N LYS A 48 44.891 38.442 32.417 1.00 0.00 N ATOM 756 CA LYS A 48 44.890 37.306 31.519 1.00 0.00 C ATOM 757 C LYS A 48 45.205 37.725 30.082 1.00 0.00 C ATOM 758 O LYS A 48 44.852 38.825 29.660 1.00 0.00 O ATOM 759 CB LYS A 48 43.540 36.601 31.616 1.00 0.00 C ATOM 760 CG LYS A 48 43.324 35.896 32.951 1.00 0.00 C ATOM 761 CD LYS A 48 41.870 35.487 33.172 1.00 0.00 C ATOM 762 CE LYS A 48 40.997 36.698 33.491 1.00 0.00 C ATOM 763 NZ LYS A 48 39.594 36.331 33.742 1.00 0.00 N ATOM 0 H LYS A 48 44.187 39.135 32.162 1.00 0.00 H new ATOM 0 HA LYS A 48 45.677 36.613 31.816 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.745 37.331 31.465 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.460 35.871 30.810 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.957 35.010 32.996 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.639 36.555 33.760 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.491 34.987 32.281 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.812 34.768 33.990 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.397 37.210 34.366 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.042 37.403 32.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.044 37.188 33.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.201 35.866 32.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.545 35.679 34.551 1.00 0.00 H new ATOM 777 N GLN A 49 45.870 36.862 29.320 1.00 0.00 N ATOM 778 CA GLN A 49 46.244 37.110 27.942 1.00 0.00 C ATOM 779 C GLN A 49 45.049 37.037 26.988 1.00 0.00 C ATOM 780 O GLN A 49 44.231 36.125 27.074 1.00 0.00 O ATOM 781 CB GLN A 49 47.359 36.146 27.549 1.00 0.00 C ATOM 782 CG GLN A 49 47.900 36.375 26.140 1.00 0.00 C ATOM 783 CD GLN A 49 49.092 35.479 25.796 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.738 34.883 26.654 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.472 35.372 24.526 1.00 0.00 N ATOM 0 H GLN A 49 46.169 35.947 29.658 1.00 0.00 H new ATOM 0 HA GLN A 49 46.614 38.132 27.858 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.177 36.241 28.263 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.987 35.124 27.624 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.102 36.199 25.419 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.197 37.419 26.038 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.952 35.858 23.795 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.284 34.804 24.283 1.00 0.00 H new ATOM 794 N LEU A 50 44.987 37.972 26.044 1.00 0.00 N ATOM 795 CA LEU A 50 44.028 37.988 24.957 1.00 0.00 C ATOM 796 C LEU A 50 44.612 37.328 23.706 1.00 0.00 C ATOM 797 O LEU A 50 45.655 37.737 23.202 1.00 0.00 O ATOM 798 CB LEU A 50 43.592 39.423 24.673 1.00 0.00 C ATOM 799 CG LEU A 50 42.879 40.136 25.817 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.548 41.559 25.376 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.576 39.441 26.201 1.00 0.00 C ATOM 0 H LEU A 50 45.628 38.765 26.019 1.00 0.00 H new ATOM 0 HA LEU A 50 43.151 37.412 25.251 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.473 40.004 24.400 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.932 39.418 23.805 1.00 0.00 H new ATOM 0 HG LEU A 50 43.542 40.126 26.682 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.037 42.081 26.185 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.469 42.087 25.128 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.901 41.527 24.499 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.102 39.983 27.019 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.906 39.423 25.341 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.788 38.419 26.517 1.00 0.00 H new ATOM 813 N GLU A 51 43.924 36.303 23.210 1.00 0.00 N ATOM 814 CA GLU A 51 44.365 35.422 22.147 1.00 0.00 C ATOM 815 C GLU A 51 43.487 35.541 20.900 1.00 0.00 C ATOM 816 O GLU A 51 42.306 35.872 20.990 1.00 0.00 O ATOM 817 CB GLU A 51 44.419 33.984 22.656 1.00 0.00 C ATOM 818 CG GLU A 51 45.325 33.807 23.871 1.00 0.00 C ATOM 819 CD GLU A 51 45.431 32.337 24.284 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.923 31.500 23.497 1.00 0.00 O ATOM 821 OE2 GLU A 51 45.020 31.993 25.413 1.00 0.00 O ATOM 0 H GLU A 51 42.998 36.057 23.560 1.00 0.00 H new ATOM 0 HA GLU A 51 45.368 35.727 21.848 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.411 33.659 22.913 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.769 33.335 21.853 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.318 34.195 23.645 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.936 34.393 24.704 1.00 0.00 H new ATOM 828 N ASP A 52 44.059 35.273 19.730 1.00 0.00 N ATOM 829 CA ASP A 52 43.498 35.611 18.437 1.00 0.00 C ATOM 830 C ASP A 52 42.290 34.762 18.034 1.00 0.00 C ATOM 831 O ASP A 52 42.099 33.651 18.521 1.00 0.00 O ATOM 832 CB ASP A 52 44.597 35.535 17.381 1.00 0.00 C ATOM 833 CG ASP A 52 45.711 36.567 17.562 1.00 0.00 C ATOM 834 OD1 ASP A 52 45.585 37.517 18.366 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.773 36.430 16.916 1.00 0.00 O ATOM 0 H ASP A 52 44.958 34.797 19.660 1.00 0.00 H new ATOM 0 HA ASP A 52 43.112 36.628 18.514 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.035 34.537 17.399 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.149 35.669 16.396 1.00 0.00 H new ATOM 840 N GLY A 53 41.457 35.301 17.148 1.00 0.00 N ATOM 841 CA GLY A 53 40.254 34.693 16.616 1.00 0.00 C ATOM 842 C GLY A 53 38.968 35.002 17.385 1.00 0.00 C ATOM 843 O GLY A 53 37.904 35.071 16.772 1.00 0.00 O ATOM 0 H GLY A 53 41.619 36.231 16.762 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.128 35.020 15.584 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.393 33.612 16.593 1.00 0.00 H new ATOM 847 N ARG A 54 39.042 35.245 18.690 1.00 0.00 N ATOM 848 CA ARG A 54 37.928 35.719 19.486 1.00 0.00 C ATOM 849 C ARG A 54 37.811 37.245 19.472 1.00 0.00 C ATOM 850 O ARG A 54 38.793 37.954 19.263 1.00 0.00 O ATOM 851 CB ARG A 54 37.975 35.158 20.905 1.00 0.00 C ATOM 852 CG ARG A 54 37.575 33.692 21.047 1.00 0.00 C ATOM 853 CD ARG A 54 36.155 33.358 20.601 1.00 0.00 C ATOM 854 NE ARG A 54 36.085 32.985 19.188 1.00 0.00 N ATOM 855 CZ ARG A 54 35.202 33.391 18.266 1.00 0.00 C ATOM 856 NH1 ARG A 54 34.284 34.344 18.478 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.219 32.854 17.038 1.00 0.00 N ATOM 0 H ARG A 54 39.898 35.114 19.229 1.00 0.00 H new ATOM 0 HA ARG A 54 37.019 35.339 19.020 1.00 0.00 H new ATOM 0 HB2 ARG A 54 38.987 35.279 21.291 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.319 35.758 21.536 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.272 33.085 20.470 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.688 33.401 22.091 1.00 0.00 H new ATOM 0 HD2 ARG A 54 35.770 32.540 21.209 1.00 0.00 H new ATOM 0 HD3 ARG A 54 35.510 34.218 20.779 1.00 0.00 H new ATOM 0 HE ARG A 54 36.799 32.333 18.864 1.00 0.00 H new ATOM 0 HH11 ARG A 54 34.229 34.807 19.385 1.00 0.00 H new ATOM 0 HH12 ARG A 54 33.640 34.607 17.732 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.905 32.136 16.805 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.546 33.164 16.337 1.00 0.00 H new ATOM 871 N THR A 55 36.591 37.728 19.695 1.00 0.00 N ATOM 872 CA THR A 55 36.232 39.132 19.686 1.00 0.00 C ATOM 873 C THR A 55 36.217 39.754 21.084 1.00 0.00 C ATOM 874 O THR A 55 36.104 39.050 22.085 1.00 0.00 O ATOM 875 CB THR A 55 34.910 39.389 18.970 1.00 0.00 C ATOM 876 OG1 THR A 55 33.804 38.867 19.672 1.00 0.00 O ATOM 877 CG2 THR A 55 34.870 38.816 17.556 1.00 0.00 C ATOM 0 H THR A 55 35.796 37.120 19.895 1.00 0.00 H new ATOM 0 HA THR A 55 37.022 39.627 19.120 1.00 0.00 H new ATOM 0 HB THR A 55 34.843 40.476 18.922 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.813 37.889 19.616 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.903 39.033 17.103 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.661 39.268 16.958 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.017 37.737 17.596 1.00 0.00 H new ATOM 885 N LEU A 56 36.307 41.078 21.166 1.00 0.00 N ATOM 886 CA LEU A 56 36.305 41.815 22.414 1.00 0.00 C ATOM 887 C LEU A 56 35.120 41.473 23.320 1.00 0.00 C ATOM 888 O LEU A 56 35.295 41.301 24.524 1.00 0.00 O ATOM 889 CB LEU A 56 36.337 43.309 22.106 1.00 0.00 C ATOM 890 CG LEU A 56 37.662 43.839 21.565 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.536 45.329 21.258 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.802 43.685 22.568 1.00 0.00 C ATOM 0 H LEU A 56 36.385 41.677 20.344 1.00 0.00 H new ATOM 0 HA LEU A 56 37.195 41.522 22.971 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.554 43.530 21.381 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.091 43.856 23.017 1.00 0.00 H new ATOM 0 HG LEU A 56 37.887 43.257 20.671 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.485 45.702 20.872 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.755 45.482 20.513 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.278 45.868 22.170 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.723 44.077 22.135 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.564 44.238 23.477 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.935 42.630 22.809 1.00 0.00 H new ATOM 904 N SER A 57 33.926 41.298 22.761 1.00 0.00 N ATOM 905 CA SER A 57 32.741 40.880 23.483 1.00 0.00 C ATOM 906 C SER A 57 32.798 39.440 23.998 1.00 0.00 C ATOM 907 O SER A 57 32.235 39.162 25.054 1.00 0.00 O ATOM 908 CB SER A 57 31.487 41.086 22.639 1.00 0.00 C ATOM 909 OG SER A 57 31.593 40.454 21.384 1.00 0.00 O ATOM 0 H SER A 57 33.758 41.449 21.766 1.00 0.00 H new ATOM 0 HA SER A 57 32.700 41.519 24.365 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.621 40.693 23.172 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.316 42.153 22.496 1.00 0.00 H new ATOM 0 HG SER A 57 32.109 41.022 20.774 1.00 0.00 H new ATOM 915 N ASP A 58 33.517 38.534 23.342 1.00 0.00 N ATOM 916 CA ASP A 58 33.708 37.182 23.828 1.00 0.00 C ATOM 917 C ASP A 58 34.558 37.152 25.100 1.00 0.00 C ATOM 918 O ASP A 58 34.333 36.308 25.963 1.00 0.00 O ATOM 919 CB ASP A 58 34.352 36.292 22.769 1.00 0.00 C ATOM 920 CG ASP A 58 33.587 36.250 21.444 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.239 36.328 20.381 1.00 0.00 O ATOM 922 OD2 ASP A 58 32.346 36.096 21.456 1.00 0.00 O ATOM 0 H ASP A 58 33.983 38.723 22.455 1.00 0.00 H new ATOM 0 HA ASP A 58 32.716 36.795 24.060 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.366 36.644 22.580 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.434 35.279 23.162 1.00 0.00 H new ATOM 927 N TYR A 59 35.481 38.098 25.247 1.00 0.00 N ATOM 928 CA TYR A 59 36.253 38.347 26.448 1.00 0.00 C ATOM 929 C TYR A 59 35.561 39.272 27.451 1.00 0.00 C ATOM 930 O TYR A 59 36.150 39.593 28.481 1.00 0.00 O ATOM 931 CB TYR A 59 37.634 38.866 26.061 1.00 0.00 C ATOM 932 CG TYR A 59 38.508 37.883 25.319 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.137 36.850 26.025 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.754 38.044 23.951 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.007 35.972 25.367 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.632 37.182 23.283 1.00 0.00 C ATOM 937 CZ TYR A 59 40.266 36.142 23.993 1.00 0.00 C ATOM 938 OH TYR A 59 41.138 35.301 23.366 1.00 0.00 O ATOM 0 H TYR A 59 35.718 38.740 24.491 1.00 0.00 H new ATOM 0 HA TYR A 59 36.351 37.397 26.973 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.510 39.755 25.443 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.154 39.178 26.967 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.950 36.730 27.082 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.264 38.838 23.407 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.478 35.167 25.911 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.823 37.313 22.228 1.00 0.00 H new ATOM 0 HH TYR A 59 41.423 35.699 22.517 1.00 0.00 H new ATOM 948 N ASN A 60 34.326 39.698 27.201 1.00 0.00 N ATOM 949 CA ASN A 60 33.589 40.658 27.999 1.00 0.00 C ATOM 950 C ASN A 60 34.328 41.976 28.236 1.00 0.00 C ATOM 951 O ASN A 60 34.350 42.499 29.348 1.00 0.00 O ATOM 952 CB ASN A 60 33.039 39.997 29.259 1.00 0.00 C ATOM 953 CG ASN A 60 31.930 40.821 29.916 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.304 41.687 29.307 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.617 40.559 31.182 1.00 0.00 N ATOM 0 H ASN A 60 33.792 39.365 26.398 1.00 0.00 H new ATOM 0 HA ASN A 60 32.728 40.977 27.412 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.653 39.009 29.008 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.850 39.851 29.972 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.864 41.074 31.638 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.130 39.843 31.696 1.00 0.00 H new ATOM 962 N ILE A 61 34.950 42.519 27.193 1.00 0.00 N ATOM 963 CA ILE A 61 35.574 43.828 27.182 1.00 0.00 C ATOM 964 C ILE A 61 34.530 44.846 26.719 1.00 0.00 C ATOM 965 O ILE A 61 33.900 44.661 25.680 1.00 0.00 O ATOM 966 CB ILE A 61 36.831 43.821 26.318 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.874 42.854 26.871 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.434 45.221 26.226 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.943 42.434 25.865 1.00 0.00 C ATOM 0 H ILE A 61 35.033 42.035 26.299 1.00 0.00 H new ATOM 0 HA ILE A 61 35.909 44.108 28.181 1.00 0.00 H new ATOM 0 HB ILE A 61 36.539 43.491 25.321 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.362 43.317 27.729 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.366 41.962 27.237 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.329 45.191 25.605 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.707 45.902 25.783 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.696 45.570 27.225 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.642 41.747 26.342 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.470 41.939 25.017 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.481 43.316 25.517 1.00 0.00 H new ATOM 981 N GLN A 62 34.327 45.904 27.497 1.00 0.00 N ATOM 982 CA GLN A 62 33.294 46.902 27.301 1.00 0.00 C ATOM 983 C GLN A 62 33.886 48.301 27.110 1.00 0.00 C ATOM 984 O GLN A 62 35.073 48.510 27.352 1.00 0.00 O ATOM 985 CB GLN A 62 32.326 46.835 28.479 1.00 0.00 C ATOM 986 CG GLN A 62 31.551 45.521 28.523 1.00 0.00 C ATOM 987 CD GLN A 62 30.632 45.380 29.739 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.239 46.334 30.405 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.228 44.159 30.078 1.00 0.00 N ATOM 0 H GLN A 62 34.906 46.093 28.315 1.00 0.00 H new ATOM 0 HA GLN A 62 32.748 46.689 26.382 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.881 46.957 29.409 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.623 47.666 28.416 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.953 45.434 27.616 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.260 44.693 28.518 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.541 43.351 29.540 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.605 44.031 30.876 1.00 0.00 H new ATOM 998 N LYS A 63 33.085 49.272 26.682 1.00 0.00 N ATOM 999 CA LYS A 63 33.490 50.647 26.470 1.00 0.00 C ATOM 1000 C LYS A 63 34.249 51.238 27.660 1.00 0.00 C ATOM 1001 O LYS A 63 33.869 51.039 28.812 1.00 0.00 O ATOM 1002 CB LYS A 63 32.278 51.483 26.070 1.00 0.00 C ATOM 1003 CG LYS A 63 31.302 51.702 27.221 1.00 0.00 C ATOM 1004 CD LYS A 63 29.984 52.355 26.819 1.00 0.00 C ATOM 1005 CE LYS A 63 29.037 52.465 28.011 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.585 53.293 29.095 1.00 0.00 N ATOM 0 H LYS A 63 32.101 49.111 26.467 1.00 0.00 H new ATOM 0 HA LYS A 63 34.207 50.665 25.649 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.617 52.450 25.699 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.758 50.990 25.248 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.089 50.740 27.687 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.784 52.322 27.976 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.176 53.347 26.411 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.512 51.771 26.029 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.089 52.889 27.679 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.823 51.467 28.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.839 53.489 29.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.367 52.787 29.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.937 54.190 28.703 1.00 0.00 H new ATOM 1020 N GLU A 64 35.329 51.962 27.388 1.00 0.00 N ATOM 1021 CA GLU A 64 36.232 52.547 28.360 1.00 0.00 C ATOM 1022 C GLU A 64 36.944 51.554 29.279 1.00 0.00 C ATOM 1023 O GLU A 64 37.403 51.911 30.363 1.00 0.00 O ATOM 1024 CB GLU A 64 35.598 53.740 29.069 1.00 0.00 C ATOM 1025 CG GLU A 64 35.126 54.838 28.121 1.00 0.00 C ATOM 1026 CD GLU A 64 34.621 56.075 28.869 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.449 56.848 29.398 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.396 56.313 28.915 1.00 0.00 O ATOM 0 H GLU A 64 35.609 52.165 26.429 1.00 0.00 H new ATOM 0 HA GLU A 64 37.068 52.943 27.783 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.750 53.392 29.658 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.320 54.162 29.768 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.946 55.124 27.463 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.329 54.449 27.487 1.00 0.00 H new ATOM 1035 N SER A 65 37.097 50.305 28.846 1.00 0.00 N ATOM 1036 CA SER A 65 38.002 49.344 29.442 1.00 0.00 C ATOM 1037 C SER A 65 39.457 49.584 29.034 1.00 0.00 C ATOM 1038 O SER A 65 39.714 50.092 27.944 1.00 0.00 O ATOM 1039 CB SER A 65 37.644 47.912 29.057 1.00 0.00 C ATOM 1040 OG SER A 65 36.336 47.581 29.470 1.00 0.00 O ATOM 0 H SER A 65 36.579 49.931 28.051 1.00 0.00 H new ATOM 0 HA SER A 65 37.896 49.481 30.518 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.728 47.792 27.977 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.356 47.223 29.510 1.00 0.00 H new ATOM 0 HG SER A 65 35.687 48.075 28.927 1.00 0.00 H new ATOM 1046 N THR A 66 40.406 49.152 29.858 1.00 0.00 N ATOM 1047 CA THR A 66 41.832 49.304 29.649 1.00 0.00 C ATOM 1048 C THR A 66 42.524 47.978 29.325 1.00 0.00 C ATOM 1049 O THR A 66 42.299 46.981 30.007 1.00 0.00 O ATOM 1050 CB THR A 66 42.511 49.939 30.859 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.760 51.023 31.362 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.896 50.492 30.537 1.00 0.00 C ATOM 0 H THR A 66 40.187 48.665 30.727 1.00 0.00 H new ATOM 0 HA THR A 66 41.935 49.963 28.787 1.00 0.00 H new ATOM 0 HB THR A 66 42.589 49.134 31.589 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.220 51.408 32.137 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.330 50.931 31.435 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.536 49.685 30.182 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.812 51.256 29.764 1.00 0.00 H new ATOM 1060 N LEU A 67 43.410 47.993 28.334 1.00 0.00 N ATOM 1061 CA LEU A 67 44.326 46.929 27.973 1.00 0.00 C ATOM 1062 C LEU A 67 45.767 47.298 28.332 1.00 0.00 C ATOM 1063 O LEU A 67 46.169 48.452 28.205 1.00 0.00 O ATOM 1064 CB LEU A 67 44.237 46.638 26.478 1.00 0.00 C ATOM 1065 CG LEU A 67 42.854 46.317 25.918 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.974 45.959 24.439 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.204 45.134 26.627 1.00 0.00 C ATOM 0 H LEU A 67 43.509 48.805 27.725 1.00 0.00 H new ATOM 0 HA LEU A 67 44.041 46.040 28.536 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.629 47.502 25.940 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.896 45.799 26.256 1.00 0.00 H new ATOM 0 HG LEU A 67 42.236 47.202 26.070 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.986 45.730 24.039 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.400 46.802 23.894 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.622 45.090 24.326 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.222 44.945 26.193 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.830 44.250 26.508 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.094 45.361 27.687 1.00 0.00 H new ATOM 1079 N HIS A 68 46.568 46.306 28.708 1.00 0.00 N ATOM 1080 CA HIS A 68 47.994 46.443 28.927 1.00 0.00 C ATOM 1081 C HIS A 68 48.792 45.691 27.860 1.00 0.00 C ATOM 1082 O HIS A 68 48.330 44.682 27.330 1.00 0.00 O ATOM 1083 CB HIS A 68 48.351 45.984 30.338 1.00 0.00 C ATOM 1084 CG HIS A 68 47.913 46.945 31.409 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.761 47.819 32.088 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.644 47.076 31.911 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.998 48.463 32.973 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.723 48.048 32.890 1.00 0.00 N ATOM 0 H HIS A 68 46.227 45.359 28.872 1.00 0.00 H new ATOM 0 HA HIS A 68 48.265 47.495 28.837 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.892 45.013 30.523 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.430 45.845 30.404 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.763 46.531 31.604 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.356 49.214 33.661 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.946 48.392 33.454 1.00 0.00 H new ATOM 1096 N LEU A 69 49.985 46.187 27.545 1.00 0.00 N ATOM 1097 CA LEU A 69 50.838 45.735 26.464 1.00 0.00 C ATOM 1098 C LEU A 69 52.263 45.489 26.962 1.00 0.00 C ATOM 1099 O LEU A 69 52.874 46.386 27.541 1.00 0.00 O ATOM 1100 CB LEU A 69 50.787 46.791 25.364 1.00 0.00 C ATOM 1101 CG LEU A 69 51.826 46.674 24.253 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.701 45.394 23.432 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.685 47.860 23.303 1.00 0.00 C ATOM 0 H LEU A 69 50.400 46.957 28.069 1.00 0.00 H new ATOM 0 HA LEU A 69 50.488 44.782 26.068 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.797 46.760 24.909 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.894 47.771 25.828 1.00 0.00 H new ATOM 0 HG LEU A 69 52.799 46.657 24.745 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.472 45.379 22.661 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.824 44.530 24.085 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.718 45.357 22.963 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.426 47.779 22.508 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.685 47.861 22.869 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.843 48.788 23.853 1.00 0.00 H new ATOM 1115 N VAL A 70 52.816 44.317 26.663 1.00 0.00 N ATOM 1116 CA VAL A 70 54.207 43.956 26.846 1.00 0.00 C ATOM 1117 C VAL A 70 54.776 43.312 25.580 1.00 0.00 C ATOM 1118 O VAL A 70 54.023 42.932 24.687 1.00 0.00 O ATOM 1119 CB VAL A 70 54.419 43.066 28.068 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.024 43.767 29.364 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.675 41.736 27.995 1.00 0.00 C ATOM 0 H VAL A 70 52.269 43.554 26.264 1.00 0.00 H new ATOM 0 HA VAL A 70 54.756 44.879 27.033 1.00 0.00 H new ATOM 0 HB VAL A 70 55.489 42.860 28.067 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.192 43.096 30.206 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.628 44.666 29.490 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.970 44.041 29.323 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.874 41.158 28.898 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.604 41.922 27.912 1.00 0.00 H new ATOM 0 HG23 VAL A 70 54.015 41.176 27.124 1.00 0.00 H new ATOM 1131 N LEU A 71 56.098 43.201 25.481 1.00 0.00 N ATOM 1132 CA LEU A 71 56.787 42.672 24.322 1.00 0.00 C ATOM 1133 C LEU A 71 56.944 41.150 24.358 1.00 0.00 C ATOM 1134 O LEU A 71 56.963 40.539 25.425 1.00 0.00 O ATOM 1135 CB LEU A 71 58.130 43.376 24.153 1.00 0.00 C ATOM 1136 CG LEU A 71 58.141 44.745 23.479 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.758 44.669 22.004 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.260 45.788 24.163 1.00 0.00 C ATOM 0 H LEU A 71 56.731 43.486 26.228 1.00 0.00 H new ATOM 0 HA LEU A 71 56.167 42.877 23.450 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.576 43.487 25.142 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.783 42.717 23.581 1.00 0.00 H new ATOM 0 HG LEU A 71 59.176 45.072 23.575 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.781 45.669 21.570 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.465 44.029 21.477 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.754 44.255 21.910 1.00 0.00 H new ATOM 0 HD21 LEU A 71 57.325 46.731 23.621 1.00 0.00 H new ATOM 0 HD22 LEU A 71 56.226 45.444 24.169 1.00 0.00 H new ATOM 0 HD23 LEU A 71 57.599 45.935 25.188 1.00 0.00 H new ATOM 1150 N ARG A 72 57.121 40.532 23.195 1.00 0.00 N ATOM 1151 CA ARG A 72 57.299 39.107 23.001 1.00 0.00 C ATOM 1152 C ARG A 72 58.550 38.702 22.220 1.00 0.00 C ATOM 1153 O ARG A 72 59.025 39.442 21.361 1.00 0.00 O ATOM 1154 CB ARG A 72 56.086 38.518 22.286 1.00 0.00 C ATOM 1155 CG ARG A 72 54.844 38.399 23.164 1.00 0.00 C ATOM 1156 CD ARG A 72 53.925 37.284 22.673 1.00 0.00 C ATOM 1157 NE ARG A 72 54.500 35.965 22.936 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.147 34.807 22.361 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.190 34.717 21.427 1.00 0.00 N ATOM 1160 NH2 ARG A 72 54.754 33.664 22.709 1.00 0.00 N ATOM 0 H ARG A 72 57.145 41.047 22.315 1.00 0.00 H new ATOM 0 HA ARG A 72 57.418 38.710 24.009 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.849 39.139 21.422 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.346 37.530 21.906 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.141 38.202 24.194 1.00 0.00 H new ATOM 0 HG3 ARG A 72 54.304 39.346 23.164 1.00 0.00 H new ATOM 0 HD2 ARG A 72 52.956 37.365 23.166 1.00 0.00 H new ATOM 0 HD3 ARG A 72 53.749 37.400 21.603 1.00 0.00 H new ATOM 0 HE ARG A 72 55.247 35.922 23.629 1.00 0.00 H new ATOM 0 HH11 ARG A 72 52.693 35.555 21.123 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.958 33.811 21.020 1.00 0.00 H new ATOM 0 HH21 ARG A 72 55.490 33.672 23.416 1.00 0.00 H new ATOM 0 HH22 ARG A 72 54.480 32.786 22.267 1.00 0.00 H new ATOM 1174 N LEU A 73 58.963 37.458 22.449 1.00 0.00 N ATOM 1175 CA LEU A 73 59.756 36.557 21.636 1.00 0.00 C ATOM 1176 C LEU A 73 61.180 36.936 21.224 1.00 0.00 C ATOM 1177 O LEU A 73 61.989 36.032 21.027 1.00 0.00 O ATOM 1178 CB LEU A 73 58.935 36.153 20.415 1.00 0.00 C ATOM 1179 CG LEU A 73 57.760 35.229 20.724 1.00 0.00 C ATOM 1180 CD1 LEU A 73 56.738 35.284 19.593 1.00 0.00 C ATOM 1181 CD2 LEU A 73 58.198 33.775 20.877 1.00 0.00 C ATOM 0 H LEU A 73 58.712 37.005 23.328 1.00 0.00 H new ATOM 0 HA LEU A 73 59.965 35.739 22.325 1.00 0.00 H new ATOM 0 HB2 LEU A 73 58.556 37.054 19.933 1.00 0.00 H new ATOM 0 HB3 LEU A 73 59.591 35.659 19.698 1.00 0.00 H new ATOM 0 HG LEU A 73 57.329 35.576 21.663 1.00 0.00 H new ATOM 0 HD11 LEU A 73 55.904 34.621 19.824 1.00 0.00 H new ATOM 0 HD12 LEU A 73 56.371 36.304 19.484 1.00 0.00 H new ATOM 0 HD13 LEU A 73 57.208 34.966 18.662 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.329 33.154 21.096 1.00 0.00 H new ATOM 0 HD22 LEU A 73 58.662 33.435 19.951 1.00 0.00 H new ATOM 0 HD23 LEU A 73 58.916 33.695 21.693 1.00 0.00 H new ATOM 1193 N ARG A 74 61.507 38.214 21.048 1.00 0.00 N ATOM 1194 CA ARG A 74 62.710 38.668 20.381 1.00 0.00 C ATOM 1195 C ARG A 74 63.565 39.570 21.275 1.00 0.00 C ATOM 1196 O ARG A 74 63.049 40.202 22.193 1.00 0.00 O ATOM 1197 CB ARG A 74 62.365 39.344 19.057 1.00 0.00 C ATOM 1198 CG ARG A 74 61.353 38.563 18.223 1.00 0.00 C ATOM 1199 CD ARG A 74 61.214 39.119 16.808 1.00 0.00 C ATOM 1200 NE ARG A 74 59.973 38.654 16.187 1.00 0.00 N ATOM 1201 CZ ARG A 74 59.656 38.687 14.886 1.00 0.00 C ATOM 1202 NH1 ARG A 74 60.484 39.173 13.950 1.00 0.00 N ATOM 1203 NH2 ARG A 74 58.469 38.209 14.490 1.00 0.00 N ATOM 0 H ARG A 74 60.920 38.980 21.378 1.00 0.00 H new ATOM 0 HA ARG A 74 63.319 37.790 20.165 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.968 40.339 19.258 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.278 39.476 18.476 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.658 37.518 18.172 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.382 38.588 18.718 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.225 40.209 16.838 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.067 38.808 16.205 1.00 0.00 H new ATOM 0 HE ARG A 74 59.272 38.261 16.815 1.00 0.00 H new ATOM 0 HH11 ARG A 74 61.398 39.538 14.218 1.00 0.00 H new ATOM 0 HH12 ARG A 74 60.200 39.178 12.970 1.00 0.00 H new ATOM 0 HH21 ARG A 74 57.819 37.826 15.176 1.00 0.00 H new ATOM 0 HH22 ARG A 74 58.215 38.228 13.502 1.00 0.00 H new ATOM 1217 N GLY A 75 64.866 39.621 21.004 1.00 0.00 N ATOM 1218 CA GLY A 75 65.801 40.530 21.636 1.00 0.00 C ATOM 1219 C GLY A 75 65.974 41.833 20.853 1.00 0.00 C ATOM 1220 O GLY A 75 65.662 41.895 19.667 1.00 0.00 O ATOM 0 H GLY A 75 65.306 39.010 20.316 1.00 0.00 H new ATOM 0 HA2 GLY A 75 65.455 40.759 22.644 1.00 0.00 H new ATOM 0 HA3 GLY A 75 66.769 40.039 21.736 1.00 0.00 H new ATOM 1224 N GLY A 76 66.471 42.874 21.518 1.00 0.00 N ATOM 1225 CA GLY A 76 66.762 44.167 20.933 1.00 0.00 C ATOM 1226 C GLY A 76 67.108 45.230 21.978 1.00 0.00 C ATOM 1227 O GLY A 76 66.167 45.734 22.627 1.00 0.00 O ATOM 1228 OXT GLY A 76 68.304 45.567 22.116 1.00 0.00 O ATOM 0 H GLY A 76 66.687 42.832 22.514 1.00 0.00 H new ATOM 0 HA2 GLY A 76 67.594 44.066 20.236 1.00 0.00 H new ATOM 0 HA3 GLY A 76 65.900 44.500 20.355 1.00 0.00 H new TER 1232 GLY A 76