USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 7 THR OG1 : rot -44:sc= 1.19 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 2.29 (180deg=2.23) USER MOD Single : A 2 GLN : amide:sc=-8.5e-05 X(o=-8.5e-05,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= 1.18 (180deg=0.0114!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -40:sc= 0.0946 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.0632 USER MOD Single : A 25 ASN : amide:sc= 1.18 K(o=1.2,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 1.27 (180deg=1.2) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0.106 (180deg=0.0964) USER MOD Single : A 31 GLN : amide:sc= -0.488 K(o=-0.49,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -125:sc= 1.22 (180deg=-0.174) USER MOD Single : A 40 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.5!) USER MOD Single : A 41 GLN : amide:sc= 0.77 K(o=0.77,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.328 K(o=-0.33,f=-1.3) USER MOD Single : A 55 THR OG1 : rot -46:sc= 0.59 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.381 USER MOD Single : A 60 ASN : amide:sc= -0.0234 X(o=-0.023,f=-0.13) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0382 X(o=-0.038,f=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.142 -7.294 -5.424 1.00 9.67 N ATOM 2 CA MET A 1 11.179 -7.399 -3.918 1.00 10.38 C ATOM 3 C MET A 1 9.866 -7.607 -3.239 1.00 9.62 C ATOM 4 O MET A 1 8.886 -7.018 -3.625 1.00 9.62 O ATOM 5 CB MET A 1 11.802 -6.037 -3.465 1.00 13.77 C ATOM 6 CG MET A 1 12.005 -5.860 -1.932 1.00 16.29 C ATOM 7 SD MET A 1 12.992 -4.433 -1.425 1.00 17.17 S ATOM 8 CE MET A 1 11.721 -3.142 -1.300 1.00 16.11 C ATOM 0 H1 MET A 1 12.111 -7.202 -5.790 1.00 9.67 H new ATOM 0 H2 MET A 1 10.702 -8.149 -5.821 1.00 9.67 H new ATOM 0 H3 MET A 1 10.587 -6.459 -5.700 1.00 9.67 H new ATOM 0 HA MET A 1 11.742 -8.289 -3.637 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.768 -5.920 -3.956 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.163 -5.230 -3.823 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.025 -5.785 -1.462 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.477 -6.761 -1.541 1.00 16.29 H new ATOM 0 HE1 MET A 1 12.184 -2.204 -0.995 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.239 -3.011 -2.269 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.976 -3.436 -0.561 1.00 16.11 H new ATOM 20 N GLN A 2 9.804 -8.494 -2.236 1.00 9.27 N ATOM 21 CA GLN A 2 8.570 -8.888 -1.651 1.00 9.07 C ATOM 22 C GLN A 2 8.232 -8.032 -0.450 1.00 8.72 C ATOM 23 O GLN A 2 9.140 -7.612 0.291 1.00 8.22 O ATOM 24 CB GLN A 2 8.850 -10.371 -1.152 1.00 14.46 C ATOM 25 CG GLN A 2 7.608 -11.039 -0.375 1.00 17.01 C ATOM 26 CD GLN A 2 7.832 -12.547 -0.246 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.187 -13.216 0.746 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.661 -13.190 -1.409 1.00 19.49 N ATOM 0 H GLN A 2 10.623 -8.943 -1.826 1.00 9.27 H new ATOM 0 HA GLN A 2 7.742 -8.797 -2.353 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.106 -10.991 -2.011 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.718 -10.365 -0.493 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.501 -10.591 0.613 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.681 -10.844 -0.915 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.371 -12.674 -2.239 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.821 -14.196 -1.464 1.00 19.49 H new ATOM 37 N ILE A 3 6.936 -7.770 -0.286 1.00 5.87 N ATOM 38 CA ILE A 3 6.411 -7.039 0.823 1.00 5.07 C ATOM 39 C ILE A 3 5.071 -7.619 1.265 1.00 4.01 C ATOM 40 O ILE A 3 4.521 -8.346 0.437 1.00 4.61 O ATOM 41 CB ILE A 3 6.241 -5.561 0.618 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.296 -5.258 -0.604 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.591 -4.814 0.501 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.634 -3.930 -0.597 1.00 10.83 C ATOM 0 H ILE A 3 6.221 -8.075 -0.946 1.00 5.87 H new ATOM 0 HA ILE A 3 7.178 -7.152 1.589 1.00 5.07 H new ATOM 0 HB ILE A 3 5.758 -5.174 1.515 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.879 -5.347 -1.520 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.524 -6.027 -0.641 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.406 -3.750 0.354 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.168 -4.959 1.414 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.151 -5.206 -0.348 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.009 -3.831 -1.484 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.015 -3.837 0.296 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.391 -3.146 -0.597 1.00 10.83 H new ATOM 56 N PHE A 4 4.666 -7.382 2.550 1.00 4.55 N ATOM 57 CA PHE A 4 3.424 -7.842 3.137 1.00 4.68 C ATOM 58 C PHE A 4 2.435 -6.691 3.305 1.00 5.30 C ATOM 59 O PHE A 4 2.794 -5.652 3.876 1.00 5.58 O ATOM 60 CB PHE A 4 3.550 -8.655 4.498 1.00 4.83 C ATOM 61 CG PHE A 4 4.564 -9.749 4.196 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.258 -10.743 3.271 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.740 -9.763 4.972 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.157 -11.762 3.129 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.623 -10.819 4.833 1.00 10.61 C ATOM 66 CZ PHE A 4 6.392 -11.849 3.860 1.00 8.90 C ATOM 0 H PHE A 4 5.234 -6.845 3.205 1.00 4.55 H new ATOM 0 HA PHE A 4 3.051 -8.566 2.413 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.888 -8.015 5.313 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.591 -9.075 4.800 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.348 -10.710 2.690 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.949 -8.961 5.665 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.926 -12.549 2.426 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.498 -10.869 5.465 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.104 -12.642 3.687 1.00 8.90 H new ATOM 76 N VAL A 5 1.185 -6.857 2.879 1.00 4.44 N ATOM 77 CA VAL A 5 0.102 -5.901 3.067 1.00 3.87 C ATOM 78 C VAL A 5 -0.957 -6.664 3.877 1.00 4.93 C ATOM 79 O VAL A 5 -1.314 -7.779 3.564 1.00 6.84 O ATOM 80 CB VAL A 5 -0.428 -5.398 1.737 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.541 -4.432 1.923 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.731 -4.677 1.019 1.00 9.13 C ATOM 0 H VAL A 5 0.890 -7.693 2.375 1.00 4.44 H new ATOM 0 HA VAL A 5 0.425 -5.001 3.591 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.806 -6.243 1.161 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.895 -4.093 0.949 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.358 -4.917 2.458 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.188 -3.576 2.498 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.385 -4.301 0.056 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.076 -3.844 1.631 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.552 -5.376 0.862 1.00 9.13 H new ATOM 92 N LYS A 6 -1.461 -6.014 4.967 1.00 6.04 N ATOM 93 CA LYS A 6 -2.526 -6.444 5.821 1.00 6.12 C ATOM 94 C LYS A 6 -3.433 -5.290 6.269 1.00 6.57 C ATOM 95 O LYS A 6 -2.982 -4.142 6.172 1.00 5.76 O ATOM 96 CB LYS A 6 -2.057 -7.126 7.141 1.00 7.45 C ATOM 97 CG LYS A 6 -1.152 -6.184 8.026 1.00 11.12 C ATOM 98 CD LYS A 6 -0.778 -6.811 9.383 1.00 14.54 C ATOM 99 CE LYS A 6 -2.097 -7.114 10.175 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.605 -7.621 11.484 1.00 20.55 N ATOM 0 H LYS A 6 -1.082 -5.114 5.263 1.00 6.04 H new ATOM 0 HA LYS A 6 -3.054 -7.159 5.190 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.930 -7.430 7.718 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.503 -8.033 6.899 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.240 -5.946 7.478 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.675 -5.243 8.198 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.208 -7.728 9.232 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.143 -6.131 9.952 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.708 -6.219 10.295 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.712 -7.854 9.663 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.415 -7.854 12.093 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.029 -8.474 11.332 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.026 -6.890 11.944 1.00 20.55 H new ATOM 114 N THR A 7 -4.716 -5.561 6.654 1.00 7.41 N ATOM 115 CA THR A 7 -5.750 -4.562 7.090 1.00 7.48 C ATOM 116 C THR A 7 -6.105 -4.767 8.507 1.00 8.75 C ATOM 117 O THR A 7 -5.780 -5.758 9.106 1.00 8.58 O ATOM 118 CB THR A 7 -7.012 -4.542 6.261 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.882 -5.677 6.563 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.688 -4.734 4.765 1.00 9.17 C ATOM 0 H THR A 7 -5.075 -6.516 6.671 1.00 7.41 H new ATOM 0 HA THR A 7 -5.274 -3.593 6.941 1.00 7.48 H new ATOM 0 HB THR A 7 -7.484 -3.585 6.485 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.344 -6.494 6.627 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.612 -4.716 4.187 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.034 -3.930 4.428 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.189 -5.692 4.621 1.00 9.17 H new ATOM 128 N LEU A 8 -6.901 -3.896 9.203 1.00 9.84 N ATOM 129 CA LEU A 8 -7.301 -3.976 10.548 1.00 14.15 C ATOM 130 C LEU A 8 -8.138 -5.168 10.878 1.00 17.37 C ATOM 131 O LEU A 8 -7.938 -5.908 11.833 1.00 17.01 O ATOM 132 CB LEU A 8 -7.905 -2.605 10.952 1.00 16.63 C ATOM 133 CG LEU A 8 -8.230 -2.385 12.441 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.030 -2.277 13.434 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.099 -1.078 12.629 1.00 18.59 C ATOM 0 H LEU A 8 -7.284 -3.066 8.750 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.428 -4.163 11.173 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.210 -1.826 10.640 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.823 -2.460 10.382 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.755 -3.305 12.700 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.407 -2.123 14.445 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -6.446 -3.197 13.400 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -6.398 -1.435 13.151 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.320 -0.937 13.687 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.545 -0.216 12.256 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.032 -1.178 12.074 1.00 18.59 H new ATOM 147 N THR A 9 -9.068 -5.463 9.924 1.00 18.33 N ATOM 148 CA THR A 9 -9.912 -6.653 9.984 1.00 19.24 C ATOM 149 C THR A 9 -9.287 -7.908 9.445 1.00 19.48 C ATOM 150 O THR A 9 -9.839 -9.006 9.509 1.00 23.14 O ATOM 151 CB THR A 9 -11.290 -6.450 9.345 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.263 -6.297 7.936 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.830 -5.078 9.873 1.00 19.70 C ATOM 0 H THR A 9 -9.238 -4.877 9.107 1.00 18.33 H new ATOM 0 HA THR A 9 -10.037 -6.800 11.057 1.00 19.24 H new ATOM 0 HB THR A 9 -11.883 -7.330 9.593 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.176 -6.174 7.603 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.814 -4.885 9.445 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.907 -5.111 10.960 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.146 -4.281 9.582 1.00 19.70 H new ATOM 161 N GLY A 10 -8.061 -7.792 9.009 1.00 19.43 N ATOM 162 CA GLY A 10 -7.158 -8.887 8.811 1.00 18.74 C ATOM 163 C GLY A 10 -6.797 -8.982 7.382 1.00 17.62 C ATOM 164 O GLY A 10 -6.576 -7.933 6.768 1.00 19.74 O ATOM 0 H GLY A 10 -7.649 -6.889 8.772 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.261 -8.745 9.414 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.621 -9.817 9.142 1.00 18.74 H new ATOM 168 N LYS A 11 -6.510 -10.271 6.977 1.00 13.56 N ATOM 169 CA LYS A 11 -6.072 -10.674 5.687 1.00 11.91 C ATOM 170 C LYS A 11 -4.778 -10.115 5.243 1.00 10.18 C ATOM 171 O LYS A 11 -4.651 -9.195 4.432 1.00 9.10 O ATOM 172 CB LYS A 11 -7.111 -10.399 4.547 1.00 13.43 C ATOM 173 CG LYS A 11 -6.965 -11.321 3.301 1.00 16.69 C ATOM 174 CD LYS A 11 -7.971 -11.062 2.287 1.00 17.92 C ATOM 175 CE LYS A 11 -7.853 -12.054 1.074 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.649 -11.546 -0.106 1.00 21.93 N ATOM 0 H LYS A 11 -6.600 -11.061 7.616 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.949 -11.746 5.841 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.116 -10.516 4.953 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.015 -9.361 4.228 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.975 -11.183 2.867 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.033 -12.362 3.616 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.963 -11.148 2.730 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.869 -10.038 1.929 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.807 -12.169 0.792 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.215 -13.040 1.367 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.184 -11.836 -0.990 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.610 -11.943 -0.074 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.702 -10.508 -0.068 1.00 21.93 H new ATOM 190 N THR A 12 -3.699 -10.652 5.812 1.00 9.63 N ATOM 191 CA THR A 12 -2.356 -10.525 5.261 1.00 9.85 C ATOM 192 C THR A 12 -2.250 -11.110 3.827 1.00 11.66 C ATOM 193 O THR A 12 -2.770 -12.228 3.570 1.00 12.33 O ATOM 194 CB THR A 12 -1.314 -11.210 6.105 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.306 -10.852 7.479 1.00 10.91 O ATOM 196 CG2 THR A 12 0.072 -10.980 5.497 1.00 9.63 C ATOM 0 H THR A 12 -3.736 -11.192 6.677 1.00 9.63 H new ATOM 0 HA THR A 12 -2.168 -9.452 5.244 1.00 9.85 H new ATOM 0 HB THR A 12 -1.584 -12.266 6.093 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.599 -11.348 7.942 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.825 -11.476 6.109 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.099 -11.389 4.487 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.281 -9.911 5.461 1.00 9.63 H new ATOM 204 N ILE A 13 -1.620 -10.354 2.931 1.00 10.42 N ATOM 205 CA ILE A 13 -1.461 -10.745 1.482 1.00 11.84 C ATOM 206 C ILE A 13 0.046 -10.509 1.243 1.00 10.55 C ATOM 207 O ILE A 13 0.714 -9.725 1.957 1.00 11.92 O ATOM 208 CB ILE A 13 -2.406 -10.013 0.579 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.196 -8.532 0.706 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.907 -10.421 0.822 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.736 -7.685 -0.412 1.00 16.46 C ATOM 0 H ILE A 13 -1.198 -9.454 3.160 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.735 -11.774 1.251 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.183 -10.304 -0.447 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.653 -8.200 1.638 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.126 -8.344 0.791 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.551 -9.862 0.143 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.028 -11.489 0.640 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.183 -10.195 1.852 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.524 -6.635 -0.208 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.262 -7.975 -1.350 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.814 -7.829 -0.490 1.00 16.46 H new ATOM 223 N THR A 14 0.524 -11.166 0.125 1.00 9.39 N ATOM 224 CA THR A 14 1.867 -10.986 -0.339 1.00 9.63 C ATOM 225 C THR A 14 1.880 -10.123 -1.560 1.00 11.20 C ATOM 226 O THR A 14 1.015 -10.258 -2.395 1.00 11.63 O ATOM 227 CB THR A 14 2.705 -12.226 -0.606 1.00 10.38 C ATOM 228 OG1 THR A 14 2.630 -13.080 0.522 1.00 16.30 O ATOM 229 CG2 THR A 14 4.151 -11.935 -0.889 1.00 11.66 C ATOM 0 H THR A 14 -0.032 -11.811 -0.437 1.00 9.39 H new ATOM 0 HA THR A 14 2.352 -10.519 0.518 1.00 9.63 H new ATOM 0 HB THR A 14 2.295 -12.691 -1.502 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.166 -13.884 0.360 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.682 -12.870 -1.069 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.228 -11.298 -1.770 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.594 -11.425 -0.033 1.00 11.66 H new ATOM 237 N LEU A 15 2.816 -9.106 -1.694 1.00 8.29 N ATOM 238 CA LEU A 15 2.929 -8.354 -2.934 1.00 9.03 C ATOM 239 C LEU A 15 4.344 -8.423 -3.430 1.00 8.59 C ATOM 240 O LEU A 15 5.295 -8.666 -2.688 1.00 7.79 O ATOM 241 CB LEU A 15 2.493 -6.878 -2.681 1.00 11.08 C ATOM 242 CG LEU A 15 1.563 -6.195 -3.742 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.196 -6.836 -3.793 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.414 -4.708 -3.547 1.00 15.27 C ATOM 0 H LEU A 15 3.467 -8.823 -0.962 1.00 8.29 H new ATOM 0 HA LEU A 15 2.277 -8.781 -3.696 1.00 9.03 H new ATOM 0 HB2 LEU A 15 1.985 -6.840 -1.717 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.396 -6.274 -2.589 1.00 11.08 H new ATOM 0 HG LEU A 15 2.069 -6.351 -4.695 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.415 -6.331 -4.541 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.297 -7.889 -4.057 1.00 15.88 H new ATOM 0 HD13 LEU A 15 -0.282 -6.751 -2.817 1.00 15.88 H new ATOM 0 HD21 LEU A 15 0.757 -4.304 -4.317 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.985 -4.511 -2.564 1.00 15.27 H new ATOM 0 HD23 LEU A 15 2.392 -4.232 -3.618 1.00 15.27 H new ATOM 256 N GLU A 16 4.544 -8.198 -4.745 1.00 11.04 N ATOM 257 CA GLU A 16 5.854 -8.001 -5.314 1.00 11.50 C ATOM 258 C GLU A 16 5.965 -6.610 -5.945 1.00 10.13 C ATOM 259 O GLU A 16 5.126 -6.177 -6.727 1.00 9.83 O ATOM 260 CB GLU A 16 6.035 -9.154 -6.400 1.00 17.22 C ATOM 261 CG GLU A 16 7.465 -9.322 -7.002 1.00 23.33 C ATOM 262 CD GLU A 16 8.416 -9.926 -6.050 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.125 -11.001 -5.395 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.629 -9.522 -5.934 1.00 28.90 O ATOM 0 H GLU A 16 3.787 -8.151 -5.427 1.00 11.04 H new ATOM 0 HA GLU A 16 6.637 -8.053 -4.557 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.742 -10.100 -5.945 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.340 -8.965 -7.218 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.408 -9.943 -7.896 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.840 -8.347 -7.315 1.00 23.33 H new ATOM 271 N VAL A 17 7.036 -5.918 -5.608 1.00 8.99 N ATOM 272 CA VAL A 17 7.267 -4.512 -5.889 1.00 8.85 C ATOM 273 C VAL A 17 8.699 -4.215 -6.160 1.00 8.04 C ATOM 274 O VAL A 17 9.613 -4.887 -5.698 1.00 8.99 O ATOM 275 CB VAL A 17 6.884 -3.640 -4.643 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.322 -3.706 -4.419 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.642 -3.994 -3.369 1.00 10.54 C ATOM 0 H VAL A 17 7.812 -6.345 -5.102 1.00 8.99 H new ATOM 0 HA VAL A 17 6.659 -4.281 -6.764 1.00 8.85 H new ATOM 0 HB VAL A 17 7.189 -2.618 -4.869 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.053 -3.101 -3.553 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.811 -3.323 -5.303 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.023 -4.740 -4.246 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.315 -3.343 -2.558 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.442 -5.032 -3.103 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.711 -3.861 -3.533 1.00 10.54 H new ATOM 287 N GLU A 18 9.029 -3.153 -6.862 1.00 7.29 N ATOM 288 CA GLU A 18 10.359 -2.608 -6.845 1.00 7.08 C ATOM 289 C GLU A 18 10.503 -1.617 -5.655 1.00 6.45 C ATOM 290 O GLU A 18 9.483 -1.116 -5.184 1.00 5.28 O ATOM 291 CB GLU A 18 10.616 -1.917 -8.191 1.00 10.28 C ATOM 292 CG GLU A 18 10.786 -2.943 -9.372 1.00 12.65 C ATOM 293 CD GLU A 18 12.098 -3.701 -9.389 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.213 -3.121 -9.433 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.081 -4.953 -9.299 1.00 18.17 O ATOM 0 H GLU A 18 8.377 -2.646 -7.461 1.00 7.29 H new ATOM 0 HA GLU A 18 11.099 -3.396 -6.707 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.788 -1.245 -8.415 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.514 -1.303 -8.115 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.970 -3.664 -9.325 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.683 -2.406 -10.315 1.00 12.65 H new ATOM 302 N PRO A 19 11.686 -1.270 -5.248 1.00 7.24 N ATOM 303 CA PRO A 19 11.915 -0.189 -4.304 1.00 7.07 C ATOM 304 C PRO A 19 11.554 1.179 -4.855 1.00 6.65 C ATOM 305 O PRO A 19 11.230 2.095 -4.105 1.00 6.37 O ATOM 306 CB PRO A 19 13.416 -0.198 -4.015 1.00 7.61 C ATOM 307 CG PRO A 19 14.029 -0.782 -5.270 1.00 8.16 C ATOM 308 CD PRO A 19 12.979 -1.790 -5.727 1.00 7.49 C ATOM 0 HA PRO A 19 11.289 -0.350 -3.426 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.790 0.807 -3.819 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.650 -0.802 -3.138 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.209 -0.017 -6.025 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.987 -1.261 -5.066 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.981 -1.892 -6.812 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.180 -2.778 -5.314 1.00 7.49 H new ATOM 316 N SER A 20 11.563 1.195 -6.206 1.00 6.80 N ATOM 317 CA SER A 20 11.314 2.420 -6.976 1.00 6.28 C ATOM 318 C SER A 20 9.869 2.331 -7.490 1.00 8.45 C ATOM 319 O SER A 20 9.479 3.096 -8.355 1.00 7.26 O ATOM 320 CB SER A 20 12.408 2.568 -8.031 1.00 8.57 C ATOM 321 OG SER A 20 12.359 3.837 -8.669 1.00 11.13 O ATOM 0 H SER A 20 11.741 0.371 -6.780 1.00 6.80 H new ATOM 0 HA SER A 20 11.377 3.341 -6.396 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.384 2.434 -7.564 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.301 1.781 -8.778 1.00 8.57 H new ATOM 0 HG SER A 20 11.425 4.085 -8.832 1.00 11.13 H new ATOM 327 N ASP A 21 9.067 1.414 -6.956 1.00 7.50 N ATOM 328 CA ASP A 21 7.624 1.386 -7.273 1.00 7.70 C ATOM 329 C ASP A 21 6.981 2.521 -6.520 1.00 7.08 C ATOM 330 O ASP A 21 7.546 2.832 -5.488 1.00 8.11 O ATOM 331 CB ASP A 21 6.847 0.085 -6.953 1.00 11.00 C ATOM 332 CG ASP A 21 6.664 -0.752 -8.219 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.330 -0.227 -9.309 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.973 -1.968 -8.156 1.00 18.03 O ATOM 0 H ASP A 21 9.376 0.687 -6.311 1.00 7.50 H new ATOM 0 HA ASP A 21 7.567 1.466 -8.359 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.386 -0.493 -6.202 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.874 0.330 -6.528 1.00 11.00 H new ATOM 339 N THR A 22 5.890 3.073 -7.016 1.00 5.37 N ATOM 340 CA THR A 22 5.189 4.161 -6.328 1.00 6.01 C ATOM 341 C THR A 22 4.102 3.581 -5.461 1.00 8.01 C ATOM 342 O THR A 22 3.696 2.462 -5.575 1.00 8.11 O ATOM 343 CB THR A 22 4.657 5.287 -7.215 1.00 8.92 C ATOM 344 OG1 THR A 22 3.555 4.869 -8.038 1.00 10.22 O ATOM 345 CG2 THR A 22 5.810 6.005 -7.909 1.00 9.65 C ATOM 0 H THR A 22 5.462 2.790 -7.897 1.00 5.37 H new ATOM 0 HA THR A 22 5.945 4.661 -5.722 1.00 6.01 H new ATOM 0 HB THR A 22 4.191 6.055 -6.597 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.354 5.568 -8.695 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.416 6.804 -8.537 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.479 6.429 -7.160 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.361 5.296 -8.527 1.00 9.65 H new ATOM 353 N ILE A 23 3.518 4.384 -4.555 1.00 8.32 N ATOM 354 CA ILE A 23 2.305 4.004 -3.745 1.00 9.92 C ATOM 355 C ILE A 23 1.076 3.926 -4.651 1.00 10.01 C ATOM 356 O ILE A 23 0.263 3.019 -4.470 1.00 8.71 O ATOM 357 CB ILE A 23 2.287 4.820 -2.502 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.242 4.308 -1.359 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.871 4.959 -1.919 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.763 4.134 -1.742 1.00 12.30 C ATOM 0 H ILE A 23 3.861 5.322 -4.349 1.00 8.32 H new ATOM 0 HA ILE A 23 2.320 2.989 -3.347 1.00 9.92 H new ATOM 0 HB ILE A 23 2.661 5.788 -2.834 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.178 5.004 -0.523 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.867 3.348 -1.005 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.908 5.563 -1.012 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.222 5.442 -2.650 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.477 3.971 -1.681 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.318 3.777 -0.874 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.854 3.411 -2.553 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.169 5.093 -2.063 1.00 12.30 H new ATOM 372 N GLU A 24 0.937 4.743 -5.649 1.00 9.54 N ATOM 373 CA GLU A 24 -0.047 4.448 -6.690 1.00 11.81 C ATOM 374 C GLU A 24 0.121 3.083 -7.337 1.00 11.14 C ATOM 375 O GLU A 24 -0.893 2.412 -7.551 1.00 10.62 O ATOM 376 CB GLU A 24 0.195 5.570 -7.771 1.00 19.24 C ATOM 377 CG GLU A 24 -0.839 5.580 -8.920 1.00 27.76 C ATOM 378 CD GLU A 24 -0.609 6.554 -10.069 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.649 7.789 -9.940 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.395 6.035 -11.228 1.00 36.51 O ATOM 0 H GLU A 24 1.469 5.603 -5.780 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.050 4.432 -6.262 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.182 6.542 -7.278 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.191 5.441 -8.195 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.887 4.574 -9.337 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.817 5.794 -8.489 1.00 27.76 H new ATOM 387 N ASN A 25 1.331 2.612 -7.694 1.00 9.43 N ATOM 388 CA ASN A 25 1.594 1.329 -8.212 1.00 10.96 C ATOM 389 C ASN A 25 1.331 0.251 -7.249 1.00 9.68 C ATOM 390 O ASN A 25 0.822 -0.813 -7.686 1.00 9.33 O ATOM 391 CB ASN A 25 3.075 1.045 -8.663 1.00 16.78 C ATOM 392 CG ASN A 25 3.491 1.972 -9.762 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.691 2.802 -10.300 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.741 1.881 -10.170 1.00 24.70 N ATOM 0 H ASN A 25 2.175 3.178 -7.609 1.00 9.43 H new ATOM 0 HA ASN A 25 0.923 1.333 -9.071 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.746 1.161 -7.812 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.164 0.012 -9.001 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.076 2.480 -10.925 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.373 1.212 -9.731 1.00 24.70 H new ATOM 401 N VAL A 26 1.637 0.462 -5.957 1.00 6.52 N ATOM 402 CA VAL A 26 1.341 -0.467 -4.937 1.00 5.53 C ATOM 403 C VAL A 26 -0.119 -0.775 -4.751 1.00 4.42 C ATOM 404 O VAL A 26 -0.559 -1.911 -4.691 1.00 3.40 O ATOM 405 CB VAL A 26 2.003 -0.155 -3.601 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.675 -1.094 -2.406 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.580 -0.158 -3.784 1.00 8.12 C ATOM 0 H VAL A 26 2.103 1.305 -5.623 1.00 6.52 H new ATOM 0 HA VAL A 26 1.794 -1.380 -5.322 1.00 5.53 H new ATOM 0 HB VAL A 26 1.586 0.816 -3.333 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.213 -0.757 -1.520 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.603 -1.073 -2.210 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.979 -2.112 -2.649 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.057 0.065 -2.830 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.904 -1.139 -4.131 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.863 0.598 -4.517 1.00 8.12 H new ATOM 417 N LYS A 27 -1.000 0.294 -4.798 1.00 2.64 N ATOM 418 CA LYS A 27 -2.399 0.209 -4.885 1.00 4.14 C ATOM 419 C LYS A 27 -2.932 -0.451 -6.105 1.00 5.58 C ATOM 420 O LYS A 27 -3.931 -1.188 -6.067 1.00 4.11 O ATOM 421 CB LYS A 27 -2.965 1.602 -4.600 1.00 3.97 C ATOM 422 CG LYS A 27 -2.673 2.207 -3.207 1.00 7.45 C ATOM 423 CD LYS A 27 -3.410 3.604 -2.908 1.00 9.02 C ATOM 424 CE LYS A 27 -2.909 4.724 -3.834 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.383 5.982 -3.409 1.00 15.47 N ATOM 0 H LYS A 27 -0.672 1.259 -4.771 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.754 -0.489 -4.126 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.577 2.286 -5.355 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.046 1.562 -4.732 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.969 1.486 -2.445 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.597 2.352 -3.108 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.486 3.482 -3.035 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.242 3.889 -1.869 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.819 4.728 -3.849 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.241 4.532 -4.854 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.819 6.734 -3.854 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.380 6.089 -3.685 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.300 6.053 -2.375 1.00 15.47 H new ATOM 439 N ALA A 28 -2.330 -0.173 -7.348 1.00 6.61 N ATOM 440 CA ALA A 28 -2.770 -0.802 -8.533 1.00 7.74 C ATOM 441 C ALA A 28 -2.508 -2.295 -8.610 1.00 9.17 C ATOM 442 O ALA A 28 -3.324 -3.054 -9.071 1.00 11.45 O ATOM 443 CB ALA A 28 -2.118 -0.025 -9.708 1.00 7.68 C ATOM 0 H ALA A 28 -1.558 0.481 -7.476 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.858 -0.757 -8.571 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.425 -0.471 -10.654 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.437 1.017 -9.677 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.033 -0.075 -9.619 1.00 7.68 H new ATOM 449 N LYS A 29 -1.379 -2.720 -8.067 1.00 8.96 N ATOM 450 CA LYS A 29 -1.191 -4.087 -7.730 1.00 7.90 C ATOM 451 C LYS A 29 -2.059 -4.730 -6.634 1.00 6.92 C ATOM 452 O LYS A 29 -2.474 -5.877 -6.803 1.00 6.87 O ATOM 453 CB LYS A 29 0.232 -4.329 -7.112 1.00 10.28 C ATOM 454 CG LYS A 29 1.391 -4.057 -8.103 1.00 14.94 C ATOM 455 CD LYS A 29 2.728 -4.086 -7.368 1.00 19.69 C ATOM 456 CE LYS A 29 3.922 -3.620 -8.219 1.00 22.63 C ATOM 457 NZ LYS A 29 4.357 -4.577 -9.242 1.00 24.98 N ATOM 0 H LYS A 29 -0.583 -2.118 -7.856 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.426 -4.523 -8.701 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.354 -3.688 -6.239 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.297 -5.360 -6.763 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.386 -4.806 -8.895 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.251 -3.087 -8.581 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.658 -3.454 -6.483 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.918 -5.102 -7.020 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.658 -2.682 -8.707 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.762 -3.410 -7.557 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.071 -4.131 -9.853 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.769 -5.414 -8.782 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.540 -4.865 -9.817 1.00 24.98 H new ATOM 471 N ILE A 30 -2.399 -3.973 -5.549 1.00 4.57 N ATOM 472 CA ILE A 30 -3.464 -4.454 -4.596 1.00 5.58 C ATOM 473 C ILE A 30 -4.795 -4.620 -5.323 1.00 7.26 C ATOM 474 O ILE A 30 -5.571 -5.534 -5.171 1.00 9.46 O ATOM 475 CB ILE A 30 -3.568 -3.563 -3.322 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.289 -3.741 -2.476 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.871 -3.906 -2.552 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.943 -2.465 -1.756 1.00 2.00 C ATOM 0 H ILE A 30 -1.981 -3.073 -5.314 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.171 -5.438 -4.230 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.633 -2.507 -3.585 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.434 -4.544 -1.753 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.460 -4.037 -3.119 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.942 -3.282 -1.661 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.732 -3.722 -3.194 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.855 -4.956 -2.259 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.039 -2.614 -1.166 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.775 -1.671 -2.483 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.764 -2.185 -1.096 1.00 2.00 H new ATOM 490 N GLN A 31 -5.092 -3.623 -6.226 1.00 7.06 N ATOM 491 CA GLN A 31 -6.278 -3.680 -6.997 1.00 8.67 C ATOM 492 C GLN A 31 -6.381 -4.899 -7.933 1.00 10.90 C ATOM 493 O GLN A 31 -7.418 -5.519 -8.061 1.00 9.63 O ATOM 494 CB GLN A 31 -6.421 -2.430 -7.856 1.00 9.12 C ATOM 495 CG GLN A 31 -7.662 -2.328 -8.802 1.00 10.76 C ATOM 496 CD GLN A 31 -7.590 -1.230 -9.866 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.546 -0.683 -10.170 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.714 -0.792 -10.405 1.00 14.76 N ATOM 0 H GLN A 31 -4.506 -2.806 -6.399 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.076 -3.762 -6.258 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.437 -1.567 -7.190 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.525 -2.342 -8.470 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.795 -3.287 -9.303 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.550 -2.161 -8.192 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.601 -1.235 -10.165 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.695 -0.011 -11.061 1.00 14.76 H new ATOM 507 N ASP A 32 -5.313 -5.299 -8.571 1.00 10.93 N ATOM 508 CA ASP A 32 -5.156 -6.613 -9.268 1.00 14.01 C ATOM 509 C ASP A 32 -5.496 -7.811 -8.477 1.00 14.04 C ATOM 510 O ASP A 32 -6.292 -8.634 -8.878 1.00 13.39 O ATOM 511 CB ASP A 32 -3.738 -6.668 -9.902 1.00 18.01 C ATOM 512 CG ASP A 32 -3.464 -7.810 -10.818 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.089 -7.886 -11.856 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.688 -8.673 -10.423 1.00 26.29 O ATOM 0 H ASP A 32 -4.478 -4.718 -8.640 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.915 -6.654 -10.050 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.574 -5.742 -10.453 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.005 -6.693 -9.096 1.00 18.01 H new ATOM 519 N LYS A 33 -4.965 -7.846 -7.178 1.00 14.22 N ATOM 520 CA LYS A 33 -5.239 -8.829 -6.153 1.00 14.00 C ATOM 521 C LYS A 33 -6.624 -8.875 -5.515 1.00 12.37 C ATOM 522 O LYS A 33 -7.271 -9.940 -5.554 1.00 12.17 O ATOM 523 CB LYS A 33 -4.242 -8.500 -4.995 1.00 18.62 C ATOM 524 CG LYS A 33 -4.214 -9.548 -3.911 1.00 24.00 C ATOM 525 CD LYS A 33 -3.255 -10.715 -4.143 1.00 27.61 C ATOM 526 CE LYS A 33 -1.760 -10.236 -4.374 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.868 -11.322 -4.155 1.00 30.06 N ATOM 0 H LYS A 33 -4.310 -7.134 -6.856 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.149 -9.791 -6.657 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.240 -8.390 -5.409 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.512 -7.540 -4.555 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.949 -9.065 -2.971 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -5.221 -9.947 -3.791 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.290 -11.386 -3.285 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.588 -11.288 -5.009 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.643 -9.856 -5.389 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.522 -9.416 -3.697 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.159 -11.051 -3.444 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.402 -12.147 -3.814 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.390 -11.564 -5.046 1.00 30.06 H new ATOM 541 N GLU A 34 -7.126 -7.726 -5.029 1.00 10.11 N ATOM 542 CA GLU A 34 -8.288 -7.696 -4.118 1.00 10.07 C ATOM 543 C GLU A 34 -9.472 -7.166 -4.904 1.00 9.32 C ATOM 544 O GLU A 34 -10.632 -7.232 -4.476 1.00 11.61 O ATOM 545 CB GLU A 34 -8.021 -6.814 -2.888 1.00 14.77 C ATOM 546 CG GLU A 34 -6.938 -7.372 -1.885 1.00 18.75 C ATOM 547 CD GLU A 34 -7.373 -8.784 -1.336 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.229 -8.806 -0.407 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.032 -9.864 -1.916 1.00 25.19 O ATOM 0 H GLU A 34 -6.747 -6.806 -5.251 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.488 -8.701 -3.746 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.704 -5.829 -3.229 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.958 -6.678 -2.348 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.974 -7.451 -2.388 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.809 -6.676 -1.056 1.00 18.75 H new ATOM 556 N GLY A 35 -9.262 -6.612 -6.141 1.00 7.22 N ATOM 557 CA GLY A 35 -10.278 -6.036 -6.984 1.00 6.29 C ATOM 558 C GLY A 35 -10.832 -4.653 -6.606 1.00 6.93 C ATOM 559 O GLY A 35 -11.836 -4.152 -7.126 1.00 7.41 O ATOM 0 H GLY A 35 -8.334 -6.570 -6.563 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.875 -5.969 -7.994 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.116 -6.732 -7.020 1.00 6.29 H new ATOM 563 N ILE A 36 -10.245 -4.106 -5.520 1.00 5.86 N ATOM 564 CA ILE A 36 -10.669 -2.874 -4.886 1.00 6.07 C ATOM 565 C ILE A 36 -9.922 -1.713 -5.570 1.00 6.36 C ATOM 566 O ILE A 36 -8.699 -1.931 -5.718 1.00 6.18 O ATOM 567 CB ILE A 36 -10.401 -2.858 -3.369 1.00 7.47 C ATOM 568 CG1 ILE A 36 -11.394 -3.861 -2.751 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.563 -1.453 -2.809 1.00 7.36 C ATOM 570 CD1 ILE A 36 -11.223 -4.074 -1.243 1.00 9.49 C ATOM 0 H ILE A 36 -9.442 -4.534 -5.060 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.748 -2.776 -5.003 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.378 -3.148 -3.131 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -12.409 -3.514 -2.944 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -11.284 -4.821 -3.256 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.369 -1.464 -1.736 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.856 -0.783 -3.298 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.580 -1.104 -2.990 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -11.962 -4.794 -0.891 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -10.221 -4.453 -1.040 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -11.364 -3.126 -0.723 1.00 9.49 H new ATOM 582 N PRO A 37 -10.477 -0.634 -6.048 1.00 8.65 N ATOM 583 CA PRO A 37 -9.747 0.442 -6.853 1.00 9.18 C ATOM 584 C PRO A 37 -8.829 1.243 -5.936 1.00 9.85 C ATOM 585 O PRO A 37 -9.265 1.344 -4.815 1.00 8.51 O ATOM 586 CB PRO A 37 -10.824 1.300 -7.509 1.00 11.42 C ATOM 587 CG PRO A 37 -12.196 0.872 -6.851 1.00 9.27 C ATOM 588 CD PRO A 37 -11.941 -0.459 -6.188 1.00 8.33 C ATOM 0 HA PRO A 37 -9.104 0.017 -7.624 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.629 2.360 -7.346 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.844 1.141 -8.587 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.528 1.613 -6.124 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.981 0.789 -7.603 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.423 -0.496 -5.211 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.365 -1.268 -6.783 1.00 8.33 H new ATOM 596 N PRO A 38 -7.726 1.819 -6.288 1.00 8.71 N ATOM 597 CA PRO A 38 -6.851 2.595 -5.476 1.00 9.08 C ATOM 598 C PRO A 38 -7.454 3.750 -4.638 1.00 9.28 C ATOM 599 O PRO A 38 -6.900 4.077 -3.595 1.00 6.50 O ATOM 600 CB PRO A 38 -5.733 3.116 -6.380 1.00 10.31 C ATOM 601 CG PRO A 38 -5.631 2.078 -7.449 1.00 10.81 C ATOM 602 CD PRO A 38 -7.114 1.632 -7.662 1.00 12.00 C ATOM 0 HA PRO A 38 -6.508 1.915 -4.696 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.976 4.095 -6.794 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.795 3.224 -5.835 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.198 2.484 -8.363 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.001 1.244 -7.141 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.615 2.242 -8.414 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.180 0.597 -7.996 1.00 12.00 H new ATOM 610 N ASP A 39 -8.530 4.341 -5.166 1.00 11.20 N ATOM 611 CA ASP A 39 -9.119 5.468 -4.463 1.00 14.96 C ATOM 612 C ASP A 39 -9.936 4.957 -3.291 1.00 13.99 C ATOM 613 O ASP A 39 -10.350 5.845 -2.514 1.00 13.75 O ATOM 614 CB ASP A 39 -10.131 6.209 -5.362 1.00 24.16 C ATOM 615 CG ASP A 39 -9.456 6.548 -6.646 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.631 7.518 -6.661 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.627 5.836 -7.693 1.00 35.55 O ATOM 0 H ASP A 39 -8.988 4.070 -6.036 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.302 6.123 -4.159 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.005 5.583 -5.546 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.485 7.114 -4.869 1.00 24.16 H new ATOM 622 N GLN A 40 -10.208 3.597 -3.149 1.00 11.60 N ATOM 623 CA GLN A 40 -10.863 3.119 -1.942 1.00 10.76 C ATOM 624 C GLN A 40 -9.909 2.514 -0.993 1.00 8.01 C ATOM 625 O GLN A 40 -10.306 1.937 -0.008 1.00 8.96 O ATOM 626 CB GLN A 40 -12.028 2.089 -2.264 1.00 11.14 C ATOM 627 CG GLN A 40 -13.236 2.587 -3.105 1.00 14.85 C ATOM 628 CD GLN A 40 -14.401 1.657 -3.270 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.420 0.771 -4.076 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.518 2.063 -2.621 1.00 18.16 N ATOM 0 H GLN A 40 -9.982 2.880 -3.838 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.301 3.999 -1.472 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.587 1.240 -2.785 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.414 1.715 -1.316 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.603 3.508 -2.652 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.869 2.845 -4.099 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.465 2.821 -1.940 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.412 1.611 -2.813 1.00 18.16 H new ATOM 639 N GLN A 41 -8.591 2.669 -1.284 1.00 6.52 N ATOM 640 CA GLN A 41 -7.454 2.082 -0.605 1.00 3.87 C ATOM 641 C GLN A 41 -6.506 3.187 -0.092 1.00 4.79 C ATOM 642 O GLN A 41 -6.027 4.017 -0.861 1.00 6.34 O ATOM 643 CB GLN A 41 -6.466 1.337 -1.513 1.00 4.20 C ATOM 644 CG GLN A 41 -7.002 0.108 -2.181 1.00 3.20 C ATOM 645 CD GLN A 41 -5.991 -0.499 -3.085 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.841 -0.476 -2.677 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.352 -1.106 -4.258 1.00 7.13 N ATOM 0 H GLN A 41 -8.296 3.257 -2.063 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.933 1.438 0.133 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.118 2.025 -2.283 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.596 1.056 -0.920 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.300 -0.619 -1.425 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.896 0.361 -2.750 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.327 -1.099 -4.557 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.646 -1.566 -4.833 1.00 7.13 H new ATOM 656 N ARG A 42 -6.192 3.163 1.234 1.00 5.73 N ATOM 657 CA ARG A 42 -5.219 4.020 1.943 1.00 6.97 C ATOM 658 C ARG A 42 -4.125 3.209 2.626 1.00 7.15 C ATOM 659 O ARG A 42 -4.430 2.219 3.330 1.00 7.33 O ATOM 660 CB ARG A 42 -6.061 4.684 2.992 1.00 13.23 C ATOM 661 CG ARG A 42 -6.935 5.917 2.446 1.00 21.27 C ATOM 662 CD ARG A 42 -7.602 6.646 3.632 1.00 26.14 C ATOM 663 NE ARG A 42 -8.449 7.749 3.058 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.341 8.448 3.783 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.869 8.031 4.936 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.796 9.605 3.318 1.00 36.39 N ATOM 0 H ARG A 42 -6.643 2.503 1.867 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.708 4.702 1.263 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.730 3.943 3.428 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.412 5.039 3.793 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.300 6.608 1.892 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.696 5.558 1.753 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.213 5.955 4.214 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.848 7.051 4.307 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.342 7.978 2.070 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.600 7.126 5.322 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.541 8.617 5.431 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.469 9.957 2.418 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.472 10.142 3.861 1.00 36.39 H new ATOM 680 N LEU A 43 -2.778 3.526 2.524 1.00 4.65 N ATOM 681 CA LEU A 43 -1.731 2.650 3.029 1.00 3.51 C ATOM 682 C LEU A 43 -0.999 3.335 4.172 1.00 5.56 C ATOM 683 O LEU A 43 -0.546 4.466 4.023 1.00 4.19 O ATOM 684 CB LEU A 43 -0.594 2.328 2.026 1.00 3.74 C ATOM 685 CG LEU A 43 -1.039 1.861 0.599 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.126 1.338 -0.207 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.161 0.853 0.575 1.00 6.41 C ATOM 0 H LEU A 43 -2.431 4.383 2.094 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.267 1.737 3.291 1.00 3.51 H new ATOM 0 HB2 LEU A 43 0.028 3.217 1.917 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.035 1.551 2.460 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.434 2.768 0.141 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.224 1.024 -1.190 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.872 2.125 -0.321 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.572 0.487 0.308 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.395 0.594 -0.458 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.856 -0.044 1.114 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.044 1.280 1.051 1.00 6.41 H new ATOM 699 N ILE A 44 -0.902 2.668 5.290 1.00 4.58 N ATOM 700 CA ILE A 44 -0.261 3.063 6.491 1.00 5.55 C ATOM 701 C ILE A 44 1.040 2.312 6.839 1.00 5.46 C ATOM 702 O ILE A 44 1.071 1.112 6.931 1.00 6.04 O ATOM 703 CB ILE A 44 -1.272 2.973 7.632 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.738 3.464 7.357 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.777 3.575 8.959 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.975 4.932 7.599 1.00 13.90 C ATOM 0 H ILE A 44 -1.317 1.740 5.379 1.00 4.58 H new ATOM 0 HA ILE A 44 0.075 4.088 6.335 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.343 1.889 7.717 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.993 3.236 6.322 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.420 2.893 7.987 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.553 3.471 9.717 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.121 3.050 9.284 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.548 4.631 8.816 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.016 5.173 7.382 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.757 5.169 8.640 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.324 5.518 6.950 1.00 13.90 H new ATOM 718 N PHE A 45 2.184 2.975 7.083 1.00 6.75 N ATOM 719 CA PHE A 45 3.401 2.438 7.648 1.00 4.70 C ATOM 720 C PHE A 45 4.142 3.573 8.404 1.00 6.34 C ATOM 721 O PHE A 45 4.104 4.757 8.085 1.00 5.45 O ATOM 722 CB PHE A 45 4.268 1.812 6.544 1.00 5.51 C ATOM 723 CG PHE A 45 5.558 1.203 7.066 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.633 0.008 7.803 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.807 1.810 6.735 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.836 -0.535 8.298 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.010 1.297 7.236 1.00 6.64 C ATOM 728 CZ PHE A 45 8.024 0.083 7.965 1.00 6.84 C ATOM 0 H PHE A 45 2.272 3.969 6.870 1.00 6.75 H new ATOM 0 HA PHE A 45 3.173 1.643 8.359 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.692 1.041 6.032 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.508 2.575 5.804 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.715 -0.525 8.002 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.824 2.676 6.090 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.828 -1.415 8.924 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.933 1.831 7.065 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.964 -0.359 8.260 1.00 6.84 H new ATOM 738 N ALA A 46 4.755 3.176 9.516 1.00 6.53 N ATOM 739 CA ALA A 46 5.516 3.997 10.452 1.00 7.15 C ATOM 740 C ALA A 46 4.848 5.228 10.920 1.00 9.00 C ATOM 741 O ALA A 46 5.454 6.279 11.047 1.00 11.15 O ATOM 742 CB ALA A 46 6.906 4.334 9.759 1.00 8.99 C ATOM 0 H ALA A 46 4.731 2.199 9.808 1.00 6.53 H new ATOM 0 HA ALA A 46 5.635 3.416 11.367 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.507 4.949 10.429 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.438 3.408 9.541 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.728 4.877 8.831 1.00 8.99 H new ATOM 748 N GLY A 47 3.542 5.071 11.213 1.00 9.35 N ATOM 749 CA GLY A 47 2.663 6.096 11.778 1.00 11.68 C ATOM 750 C GLY A 47 2.145 7.097 10.782 1.00 11.14 C ATOM 751 O GLY A 47 1.438 8.043 11.081 1.00 13.93 O ATOM 0 H GLY A 47 3.058 4.188 11.053 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.814 5.605 12.255 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.204 6.628 12.560 1.00 11.68 H new ATOM 755 N LYS A 48 2.482 6.881 9.492 1.00 10.47 N ATOM 756 CA LYS A 48 2.123 7.754 8.401 1.00 8.82 C ATOM 757 C LYS A 48 1.289 7.102 7.280 1.00 7.68 C ATOM 758 O LYS A 48 1.421 5.898 7.082 1.00 6.47 O ATOM 759 CB LYS A 48 3.360 8.644 7.917 1.00 9.74 C ATOM 760 CG LYS A 48 4.297 7.997 6.860 1.00 14.14 C ATOM 761 CD LYS A 48 5.501 8.919 6.580 1.00 16.32 C ATOM 762 CE LYS A 48 6.497 8.966 7.717 1.00 20.04 C ATOM 763 NZ LYS A 48 7.654 9.827 7.361 1.00 23.92 N ATOM 0 H LYS A 48 3.024 6.070 9.195 1.00 10.47 H new ATOM 0 HA LYS A 48 1.401 8.460 8.811 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.972 9.576 7.506 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.957 8.905 8.791 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.647 7.029 7.218 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.746 7.816 5.937 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.007 8.579 5.677 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.139 9.928 6.382 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.014 9.350 8.616 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.843 7.958 7.947 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.328 9.848 8.153 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.124 9.444 6.516 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.321 10.792 7.164 1.00 23.92 H new ATOM 777 N GLN A 49 0.477 7.849 6.582 1.00 8.89 N ATOM 778 CA GLN A 49 -0.322 7.367 5.424 1.00 7.18 C ATOM 779 C GLN A 49 0.329 7.796 4.118 1.00 8.23 C ATOM 780 O GLN A 49 0.692 8.932 3.991 1.00 9.70 O ATOM 781 CB GLN A 49 -1.745 8.028 5.457 1.00 11.67 C ATOM 782 CG GLN A 49 -2.685 7.314 4.472 1.00 15.82 C ATOM 783 CD GLN A 49 -4.095 7.948 4.555 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.874 7.706 5.465 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.431 8.762 3.500 1.00 20.67 N ATOM 0 H GLN A 49 0.330 8.838 6.786 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.384 6.281 5.486 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.155 7.975 6.466 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.669 9.084 5.198 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.296 7.396 3.457 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.738 6.251 4.708 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.754 8.941 2.758 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.357 9.187 3.459 1.00 20.67 H new ATOM 794 N LEU A 50 0.584 6.856 3.194 1.00 6.51 N ATOM 795 CA LEU A 50 1.613 7.036 2.145 1.00 7.41 C ATOM 796 C LEU A 50 1.117 7.736 0.876 1.00 8.27 C ATOM 797 O LEU A 50 0.037 7.490 0.343 1.00 8.34 O ATOM 798 CB LEU A 50 2.450 5.816 1.769 1.00 7.13 C ATOM 799 CG LEU A 50 2.837 4.945 2.985 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.629 3.730 2.484 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.776 5.705 3.937 1.00 9.11 C ATOM 0 H LEU A 50 0.095 5.962 3.148 1.00 6.51 H new ATOM 0 HA LEU A 50 2.292 7.705 2.673 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.893 5.207 1.057 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.357 6.148 1.264 1.00 7.13 H new ATOM 0 HG LEU A 50 1.919 4.666 3.503 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.910 3.104 3.331 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.012 3.153 1.795 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.528 4.069 1.969 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.031 5.067 4.783 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.686 5.983 3.405 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.278 6.604 4.298 1.00 9.11 H new ATOM 813 N GLU A 51 1.816 8.775 0.317 1.00 9.43 N ATOM 814 CA GLU A 51 1.392 9.664 -0.751 1.00 11.90 C ATOM 815 C GLU A 51 1.710 9.019 -2.092 1.00 11.49 C ATOM 816 O GLU A 51 2.693 8.300 -2.169 1.00 9.88 O ATOM 817 CB GLU A 51 1.894 11.104 -0.489 1.00 16.56 C ATOM 818 CG GLU A 51 1.542 11.600 0.889 1.00 26.06 C ATOM 819 CD GLU A 51 1.897 13.109 0.951 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.481 14.010 0.179 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.677 13.412 1.883 1.00 33.44 O ATOM 0 H GLU A 51 2.754 9.007 0.644 1.00 9.43 H new ATOM 0 HA GLU A 51 0.311 9.802 -0.781 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.976 11.136 -0.617 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.465 11.775 -1.233 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.482 11.448 1.091 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.094 11.046 1.648 1.00 26.06 H new ATOM 828 N ASP A 52 0.839 9.196 -3.131 1.00 12.71 N ATOM 829 CA ASP A 52 0.777 8.436 -4.339 1.00 16.56 C ATOM 830 C ASP A 52 1.984 8.427 -5.269 1.00 15.83 C ATOM 831 O ASP A 52 2.380 7.402 -5.789 1.00 17.21 O ATOM 832 CB ASP A 52 -0.461 8.965 -5.166 1.00 21.05 C ATOM 833 CG ASP A 52 -1.728 8.939 -4.314 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.817 9.617 -3.258 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.719 8.250 -4.703 1.00 28.37 O ATOM 0 H ASP A 52 0.132 9.930 -3.108 1.00 12.71 H new ATOM 0 HA ASP A 52 0.715 7.404 -3.994 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.268 9.981 -5.509 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.601 8.350 -6.055 1.00 21.05 H new ATOM 840 N GLY A 53 2.556 9.616 -5.538 1.00 15.00 N ATOM 841 CA GLY A 53 3.635 9.756 -6.439 1.00 11.77 C ATOM 842 C GLY A 53 4.959 9.354 -5.895 1.00 11.10 C ATOM 843 O GLY A 53 5.999 9.385 -6.573 1.00 11.25 O ATOM 0 H GLY A 53 2.254 10.493 -5.114 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.427 9.160 -7.328 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.690 10.797 -6.759 1.00 11.77 H new ATOM 847 N ARG A 54 5.038 9.064 -4.640 1.00 8.53 N ATOM 848 CA ARG A 54 6.201 8.671 -3.900 1.00 9.05 C ATOM 849 C ARG A 54 6.491 7.231 -4.067 1.00 8.96 C ATOM 850 O ARG A 54 5.589 6.418 -4.337 1.00 11.60 O ATOM 851 CB ARG A 54 6.160 9.045 -2.437 1.00 7.97 C ATOM 852 CG ARG A 54 5.686 10.447 -2.168 1.00 9.62 C ATOM 853 CD ARG A 54 6.666 11.615 -2.493 1.00 12.20 C ATOM 854 NE ARG A 54 5.958 12.933 -2.359 1.00 18.23 N ATOM 855 CZ ARG A 54 6.056 13.787 -1.346 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.833 13.606 -0.288 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.447 14.925 -1.528 1.00 23.38 N ATOM 0 H ARG A 54 4.211 9.098 -4.044 1.00 8.53 H new ATOM 0 HA ARG A 54 7.019 9.247 -4.332 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.507 8.347 -1.914 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.158 8.924 -2.015 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.771 10.608 -2.738 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.420 10.515 -1.113 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.521 11.582 -1.817 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.055 11.503 -3.505 1.00 12.20 H new ATOM 0 HE ARG A 54 5.338 13.200 -3.124 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.407 12.766 -0.215 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.857 14.307 0.453 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.946 15.102 -2.399 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.472 15.639 -0.800 1.00 23.38 H new ATOM 871 N THR A 55 7.747 6.824 -3.898 1.00 9.05 N ATOM 872 CA THR A 55 8.236 5.479 -3.978 1.00 9.03 C ATOM 873 C THR A 55 8.478 4.866 -2.632 1.00 8.15 C ATOM 874 O THR A 55 8.602 5.450 -1.596 1.00 5.91 O ATOM 875 CB THR A 55 9.498 5.266 -4.785 1.00 11.15 C ATOM 876 OG1 THR A 55 10.670 5.942 -4.258 1.00 11.95 O ATOM 877 CG2 THR A 55 9.259 5.688 -6.210 1.00 11.71 C ATOM 0 H THR A 55 8.493 7.487 -3.686 1.00 9.05 H new ATOM 0 HA THR A 55 7.416 4.992 -4.505 1.00 9.03 H new ATOM 0 HB THR A 55 9.721 4.201 -4.725 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.437 6.865 -4.023 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.168 5.535 -6.792 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.451 5.093 -6.635 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.985 6.743 -6.236 1.00 11.71 H new ATOM 885 N LEU A 56 8.700 3.560 -2.581 1.00 6.91 N ATOM 886 CA LEU A 56 9.136 2.764 -1.398 1.00 8.29 C ATOM 887 C LEU A 56 10.481 3.219 -0.850 1.00 8.05 C ATOM 888 O LEU A 56 10.728 3.306 0.343 1.00 10.17 O ATOM 889 CB LEU A 56 9.204 1.240 -1.780 1.00 6.60 C ATOM 890 CG LEU A 56 7.878 0.529 -1.993 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.209 0.781 -3.346 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.107 -0.935 -1.804 1.00 8.64 C ATOM 0 H LEU A 56 8.578 2.973 -3.406 1.00 6.91 H new ATOM 0 HA LEU A 56 8.398 2.922 -0.612 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.792 1.144 -2.693 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.748 0.716 -0.994 1.00 6.60 H new ATOM 0 HG LEU A 56 7.181 0.940 -1.262 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.271 0.229 -3.396 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.010 1.846 -3.460 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.870 0.448 -4.146 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.170 -1.472 -1.951 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.843 -1.285 -2.528 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.475 -1.118 -0.795 1.00 8.64 H new ATOM 904 N SER A 57 11.406 3.553 -1.736 1.00 8.92 N ATOM 905 CA SER A 57 12.693 4.111 -1.546 1.00 9.00 C ATOM 906 C SER A 57 12.633 5.336 -0.703 1.00 9.44 C ATOM 907 O SER A 57 13.404 5.513 0.249 1.00 10.91 O ATOM 908 CB SER A 57 13.421 4.374 -2.815 1.00 10.32 C ATOM 909 OG SER A 57 14.803 4.418 -2.541 1.00 13.59 O ATOM 0 H SER A 57 11.225 3.411 -2.730 1.00 8.92 H new ATOM 0 HA SER A 57 13.269 3.352 -1.018 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.205 3.593 -3.544 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.092 5.317 -3.251 1.00 10.32 H new ATOM 0 HG SER A 57 15.296 4.589 -3.371 1.00 13.59 H new ATOM 915 N ASP A 58 11.629 6.197 -0.951 1.00 9.11 N ATOM 916 CA ASP A 58 11.397 7.428 -0.203 1.00 7.91 C ATOM 917 C ASP A 58 10.984 7.250 1.238 1.00 9.12 C ATOM 918 O ASP A 58 11.398 8.010 2.076 1.00 8.61 O ATOM 919 CB ASP A 58 10.289 8.281 -0.891 1.00 8.41 C ATOM 920 CG ASP A 58 10.746 8.627 -2.322 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.846 9.164 -2.465 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.879 8.490 -3.236 1.00 11.70 O ATOM 0 H ASP A 58 10.947 6.045 -1.694 1.00 9.11 H new ATOM 0 HA ASP A 58 12.371 7.917 -0.204 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.350 7.729 -0.918 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.107 9.193 -0.322 1.00 8.41 H new ATOM 927 N TYR A 59 10.222 6.183 1.538 1.00 7.97 N ATOM 928 CA TYR A 59 9.670 5.972 2.868 1.00 8.45 C ATOM 929 C TYR A 59 10.496 5.067 3.672 1.00 10.98 C ATOM 930 O TYR A 59 10.258 4.738 4.845 1.00 12.95 O ATOM 931 CB TYR A 59 8.271 5.380 2.852 1.00 7.94 C ATOM 932 CG TYR A 59 7.344 6.490 2.407 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.923 7.475 3.301 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.785 6.337 1.142 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.982 8.470 2.847 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.717 7.214 0.756 1.00 6.52 C ATOM 937 CZ TYR A 59 5.494 8.354 1.568 1.00 6.76 C ATOM 938 OH TYR A 59 4.718 9.387 1.041 1.00 7.63 O ATOM 0 H TYR A 59 9.979 5.455 0.866 1.00 7.97 H new ATOM 0 HA TYR A 59 9.644 6.971 3.303 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.216 4.531 2.170 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.993 5.014 3.840 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.295 7.492 4.315 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.147 5.576 0.466 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.672 9.279 3.491 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.110 7.014 -0.115 1.00 6.52 H new ATOM 0 HH TYR A 59 5.241 10.216 1.030 1.00 7.63 H new ATOM 948 N ASN A 60 11.621 4.593 3.062 1.00 12.38 N ATOM 949 CA ASN A 60 12.591 3.578 3.522 1.00 13.94 C ATOM 950 C ASN A 60 12.006 2.192 3.762 1.00 14.16 C ATOM 951 O ASN A 60 12.298 1.513 4.745 1.00 14.26 O ATOM 952 CB ASN A 60 13.486 4.016 4.676 1.00 19.23 C ATOM 953 CG ASN A 60 14.213 5.294 4.491 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.691 6.358 4.349 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.570 5.181 4.504 1.00 24.09 N ATOM 0 H ASN A 60 11.889 4.954 2.146 1.00 12.38 H new ATOM 0 HA ASN A 60 13.244 3.485 2.654 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.873 4.097 5.573 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.218 3.229 4.860 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.152 6.011 4.392 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.004 4.266 4.626 1.00 24.09 H new ATOM 962 N ILE A 61 11.188 1.775 2.822 1.00 11.08 N ATOM 963 CA ILE A 61 10.494 0.544 2.919 1.00 11.78 C ATOM 964 C ILE A 61 11.460 -0.516 2.334 1.00 13.74 C ATOM 965 O ILE A 61 12.063 -0.296 1.286 1.00 14.60 O ATOM 966 CB ILE A 61 9.117 0.486 2.242 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.133 1.484 2.960 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.406 -0.929 2.092 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.790 1.733 2.259 1.00 11.42 C ATOM 0 H ILE A 61 10.995 2.297 1.967 1.00 11.08 H new ATOM 0 HA ILE A 61 10.238 0.371 3.964 1.00 11.78 H new ATOM 0 HB ILE A 61 9.342 0.766 1.213 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.931 1.105 3.962 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.641 2.441 3.077 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.444 -0.802 1.595 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.036 -1.592 1.499 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.250 -1.364 3.079 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.198 2.436 2.846 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.969 2.149 1.267 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.248 0.792 2.166 1.00 11.42 H new ATOM 981 N GLN A 62 11.545 -1.687 3.009 1.00 13.97 N ATOM 982 CA GLN A 62 12.492 -2.739 2.746 1.00 15.52 C ATOM 983 C GLN A 62 11.874 -4.067 2.355 1.00 13.94 C ATOM 984 O GLN A 62 10.670 -4.223 2.224 1.00 12.15 O ATOM 985 CB GLN A 62 13.468 -3.007 3.954 1.00 19.53 C ATOM 986 CG GLN A 62 14.310 -1.759 4.373 1.00 26.38 C ATOM 987 CD GLN A 62 15.217 -1.982 5.620 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.757 -1.995 6.750 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.541 -2.028 5.411 1.00 32.71 N ATOM 0 H GLN A 62 10.917 -1.911 3.781 1.00 13.97 H new ATOM 0 HA GLN A 62 13.044 -2.349 1.891 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.886 -3.345 4.811 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.146 -3.818 3.688 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.936 -1.460 3.533 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.632 -0.930 4.576 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.908 -2.016 4.459 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.181 -2.075 6.204 1.00 32.71 H new ATOM 998 N LYS A 63 12.709 -5.077 2.051 1.00 11.73 N ATOM 999 CA LYS A 63 12.233 -6.441 1.815 1.00 11.97 C ATOM 1000 C LYS A 63 11.499 -7.007 2.996 1.00 10.41 C ATOM 1001 O LYS A 63 11.778 -6.697 4.167 1.00 9.59 O ATOM 1002 CB LYS A 63 13.300 -7.380 1.236 1.00 13.73 C ATOM 1003 CG LYS A 63 14.411 -7.777 2.267 1.00 16.98 C ATOM 1004 CD LYS A 63 15.487 -8.721 1.691 1.00 20.19 C ATOM 1005 CE LYS A 63 15.098 -10.136 1.124 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.184 -10.910 0.711 1.00 25.97 N ATOM 0 H LYS A 63 13.719 -4.968 1.964 1.00 11.73 H new ATOM 0 HA LYS A 63 11.492 -6.362 1.020 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.816 -8.285 0.870 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.768 -6.899 0.377 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.894 -6.871 2.633 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.942 -8.257 3.126 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.990 -8.182 0.888 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.225 -8.883 2.477 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.548 -10.683 1.890 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.421 -10.002 0.280 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.842 -11.824 0.352 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.698 -10.412 -0.043 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.822 -11.071 1.517 1.00 25.97 H new ATOM 1020 N GLU A 64 10.445 -7.803 2.741 1.00 10.04 N ATOM 1021 CA GLU A 64 9.705 -8.634 3.718 1.00 10.94 C ATOM 1022 C GLU A 64 8.932 -7.790 4.685 1.00 9.74 C ATOM 1023 O GLU A 64 8.581 -8.280 5.768 1.00 9.42 O ATOM 1024 CB GLU A 64 10.574 -9.754 4.411 1.00 18.31 C ATOM 1025 CG GLU A 64 11.181 -10.711 3.383 1.00 24.16 C ATOM 1026 CD GLU A 64 11.776 -11.908 4.077 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.859 -11.708 4.698 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.101 -12.981 4.102 1.00 31.72 O ATOM 0 H GLU A 64 10.063 -7.891 1.799 1.00 10.04 H new ATOM 0 HA GLU A 64 8.976 -9.200 3.138 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.371 -9.290 4.992 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.955 -10.315 5.111 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.415 -11.033 2.678 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.949 -10.197 2.805 1.00 24.16 H new ATOM 1035 N SER A 65 8.763 -6.522 4.360 1.00 6.85 N ATOM 1036 CA SER A 65 8.155 -5.533 5.281 1.00 6.90 C ATOM 1037 C SER A 65 6.650 -5.501 5.266 1.00 4.72 C ATOM 1038 O SER A 65 6.001 -5.828 4.283 1.00 3.91 O ATOM 1039 CB SER A 65 8.770 -4.097 4.973 1.00 7.28 C ATOM 1040 OG SER A 65 8.402 -3.023 5.816 1.00 10.56 O ATOM 0 H SER A 65 9.036 -6.133 3.458 1.00 6.85 H new ATOM 0 HA SER A 65 8.405 -5.847 6.294 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.856 -4.186 5.000 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.498 -3.829 3.952 1.00 7.28 H new ATOM 0 HG SER A 65 8.850 -2.204 5.517 1.00 10.56 H new ATOM 1046 N THR A 66 6.052 -5.297 6.505 1.00 4.48 N ATOM 1047 CA THR A 66 4.578 -5.411 6.713 1.00 3.80 C ATOM 1048 C THR A 66 3.987 -4.013 6.727 1.00 4.60 C ATOM 1049 O THR A 66 4.237 -3.319 7.709 1.00 5.33 O ATOM 1050 CB THR A 66 4.110 -6.113 7.993 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.775 -7.383 8.199 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.571 -6.341 7.886 1.00 3.40 C ATOM 0 H THR A 66 6.573 -5.058 7.349 1.00 4.48 H new ATOM 0 HA THR A 66 4.237 -6.040 5.891 1.00 3.80 H new ATOM 0 HB THR A 66 4.359 -5.480 8.845 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.447 -7.793 9.026 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.214 -6.840 8.787 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.067 -5.380 7.779 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.355 -6.962 7.017 1.00 3.40 H new ATOM 1060 N LEU A 67 3.219 -3.589 5.671 1.00 4.17 N ATOM 1061 CA LEU A 67 2.626 -2.332 5.521 1.00 3.85 C ATOM 1062 C LEU A 67 1.076 -2.442 5.733 1.00 3.80 C ATOM 1063 O LEU A 67 0.500 -3.498 5.431 1.00 5.54 O ATOM 1064 CB LEU A 67 2.816 -1.791 4.023 1.00 7.18 C ATOM 1065 CG LEU A 67 4.259 -1.915 3.447 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.203 -1.375 1.969 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.259 -1.163 4.316 1.00 11.66 C ATOM 0 H LEU A 67 3.020 -4.202 4.880 1.00 4.17 H new ATOM 0 HA LEU A 67 3.094 -1.668 6.247 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.134 -2.334 3.369 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.519 -0.743 3.993 1.00 7.18 H new ATOM 0 HG LEU A 67 4.603 -2.949 3.446 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.194 -1.441 1.520 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.501 -1.974 1.389 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.875 -0.335 1.974 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.258 -1.265 3.892 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.987 -0.108 4.354 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.248 -1.577 5.324 1.00 11.66 H new ATOM 1079 N HIS A 68 0.429 -1.535 6.434 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.968 -1.663 6.718 1.00 4.17 C ATOM 1081 C HIS A 68 -1.832 -0.817 5.801 1.00 5.32 C ATOM 1082 O HIS A 68 -1.396 0.078 5.096 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.303 -1.242 8.162 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.097 -2.215 9.307 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.134 -2.573 9.735 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.945 -2.954 10.066 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.004 -3.442 10.744 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.243 -3.735 11.032 1.00 16.30 N ATOM 0 H HIS A 68 0.862 -0.695 6.818 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.185 -2.720 6.564 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.714 -0.352 8.384 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.351 -0.943 8.177 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.019 -2.951 9.953 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.846 -3.863 11.272 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.611 -4.355 11.753 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.096 -1.250 5.586 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.870 -0.776 4.478 1.00 3.97 C ATOM 1098 C LEU A 69 -5.301 -0.581 4.975 1.00 5.07 C ATOM 1099 O LEU A 69 -5.855 -1.510 5.628 1.00 4.34 O ATOM 1100 CB LEU A 69 -3.894 -1.927 3.456 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.072 -1.996 2.463 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.179 -0.730 1.561 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -4.935 -3.199 1.537 1.00 9.96 C ATOM 0 H LEU A 69 -3.577 -1.926 6.180 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.470 0.146 4.056 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -2.972 -1.877 2.876 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -3.871 -2.865 4.011 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.966 -2.074 3.081 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.026 -0.837 0.883 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.323 0.151 2.186 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.263 -0.618 0.982 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.778 -3.225 0.847 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.006 -3.120 0.972 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -4.923 -4.114 2.129 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.851 0.654 4.764 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.238 1.017 5.147 1.00 6.26 C ATOM 1117 C VAL A 70 -8.187 1.001 3.980 1.00 9.22 C ATOM 1118 O VAL A 70 -7.873 1.613 2.950 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.354 2.380 5.887 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.413 2.220 7.004 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.948 2.809 6.499 1.00 8.54 C ATOM 0 H VAL A 70 -5.340 1.419 4.324 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.526 0.235 5.850 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.655 3.164 5.192 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.518 3.161 7.543 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.371 1.947 6.561 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.097 1.439 7.696 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.051 3.765 7.012 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.613 2.051 7.207 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.216 2.905 5.697 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.347 0.331 4.176 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.237 0.107 3.064 1.00 16.06 C ATOM 1133 C LEU A 71 -11.537 0.907 3.329 1.00 18.09 C ATOM 1134 O LEU A 71 -12.124 0.896 4.412 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.555 -1.394 2.708 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.313 -2.151 2.215 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.518 -3.670 2.177 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.830 -1.603 0.931 1.00 19.57 C ATOM 0 H LEU A 71 -9.662 -0.044 5.071 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.711 0.456 2.175 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.959 -1.896 3.587 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.327 -1.427 1.939 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.524 -1.988 2.949 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.607 -4.151 1.821 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.751 -4.031 3.179 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.342 -3.909 1.504 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.950 -2.158 0.606 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.614 -1.693 0.179 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.569 -0.552 1.059 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.985 1.704 2.319 1.00 21.47 N ATOM 1151 CA ARG A 72 -13.143 2.527 2.285 1.00 25.83 C ATOM 1152 C ARG A 72 -14.194 1.951 1.378 1.00 27.74 C ATOM 1153 O ARG A 72 -15.015 2.658 0.882 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.779 3.943 1.742 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.513 4.502 2.356 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.134 5.878 1.705 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.114 6.898 2.169 1.00 35.08 N ATOM 1158 CZ ARG A 72 -12.184 8.086 1.670 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.331 8.503 0.706 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -13.234 8.869 1.926 1.00 35.02 N ATOM 0 H ARG A 72 -11.467 1.764 1.442 1.00 21.47 H new ATOM 0 HA ARG A 72 -13.526 2.587 3.304 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.660 3.892 0.660 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -13.605 4.626 1.940 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.650 4.629 3.430 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.695 3.794 2.221 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.122 6.167 1.989 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.151 5.802 0.618 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.761 6.646 2.917 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.610 7.873 0.356 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -11.409 9.448 0.330 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.990 8.530 2.521 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -13.280 9.807 1.527 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.163 0.607 1.138 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.996 -0.124 0.205 1.00 30.76 C ATOM 1176 C LEU A 73 -16.468 -0.032 0.534 1.00 32.18 C ATOM 1177 O LEU A 73 -17.306 0.270 -0.350 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.559 -1.615 0.123 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.321 -2.430 -0.917 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.974 -1.975 -2.306 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.997 -3.926 -0.730 1.00 29.11 C ATOM 0 H LEU A 73 -13.512 -0.005 1.630 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.854 0.348 -0.767 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.494 -1.658 -0.106 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.694 -2.077 1.101 1.00 30.53 H new ATOM 0 HG LEU A 73 -16.392 -2.279 -0.779 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.528 -2.569 -3.033 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.237 -0.923 -2.421 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -13.904 -2.102 -2.474 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.540 -4.511 -1.472 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -13.926 -4.085 -0.856 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.296 -4.241 0.270 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.832 -0.254 1.778 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.216 -0.164 2.184 1.00 35.33 C ATOM 1195 C ARG A 74 -18.548 1.243 2.684 1.00 36.22 C ATOM 1196 O ARG A 74 -19.554 1.485 3.288 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.461 -1.254 3.300 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.061 -2.705 2.891 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.893 -3.153 1.672 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.299 -4.430 1.235 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.661 -5.042 0.055 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -19.667 -4.552 -0.721 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.971 -6.037 -0.406 1.00 41.93 N ATOM 0 H ARG A 74 -16.185 -0.499 2.528 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.875 -0.352 1.337 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.900 -0.974 4.192 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.516 -1.245 3.572 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.998 -2.745 2.652 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.226 -3.386 3.726 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.942 -3.280 1.939 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.854 -2.410 0.876 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.597 -4.875 1.826 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -20.171 -3.714 -0.433 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -19.916 -5.023 -1.591 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.154 -6.372 0.105 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -18.244 -6.486 -1.280 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.769 2.190 2.168 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.941 3.632 2.393 1.00 36.07 C ATOM 1219 C GLY A 75 -17.260 3.963 3.647 1.00 36.16 C ATOM 1220 O GLY A 75 -17.517 3.419 4.727 1.00 36.26 O ATOM 0 H GLY A 75 -16.976 1.974 1.564 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.520 4.203 1.565 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.999 3.888 2.451 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.462 4.979 3.523 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.726 5.459 4.686 1.00 36.19 C ATOM 1226 C GLY A 76 -14.790 6.548 4.179 1.00 36.20 C ATOM 1227 O GLY A 76 -13.568 6.504 4.420 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.258 7.547 3.526 1.00 0.00 O ATOM 0 H GLY A 76 -16.296 5.491 2.657 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.406 5.852 5.442 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.164 4.649 5.152 1.00 36.19 H new TER 1232 GLY A 76