USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 826 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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 SER OG : rot 180:sc= -0.705 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.033 (180deg=-0.325) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -160:sc= -1.14 USER MOD Single : A 18 TYR OH : rot 129:sc= 1.11 USER MOD Single : A 24 MET CE :methyl 159:sc= -3.59! (180deg=-5.81!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.4!) USER MOD Single : A 40 GLN : amide:sc= -1.91 K(o=-1.9,f=-0.55) USER MOD Single : A 52 THR OG1 : rot -50:sc= -1.45! USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -3.45 K(o=-3.4,f=-11!) USER MOD Single : A 83 MET CE :methyl -149:sc= -0.904 (180deg=-2.4!) USER MOD Single : A 89 LYS NZ :NH3+ -108:sc= -0.115 (180deg=-2.55!) USER MOD Single : A 94 HIS : no HD1:sc= -12.6! C(o=-13!,f=-15!) USER MOD Single : A 102 HIS : no HD1:sc= -5.14! K(o=-5.1!,f=-2.4) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 193.279 -3.894 10.850 1.00 0.00 N ATOM 2 CA MET A 1 194.020 -5.180 10.932 1.00 0.00 C ATOM 3 C MET A 1 193.111 -6.361 10.616 1.00 0.00 C ATOM 4 O MET A 1 192.034 -6.189 10.046 1.00 0.00 O ATOM 5 CB MET A 1 194.607 -5.314 12.339 1.00 0.00 C ATOM 6 CG MET A 1 193.557 -5.491 13.425 1.00 0.00 C ATOM 7 SD MET A 1 193.984 -4.629 14.950 1.00 0.00 S ATOM 8 CE MET A 1 194.988 -5.865 15.768 1.00 0.00 C ATOM 0 H1 MET A 1 193.717 -3.286 10.128 1.00 0.00 H new ATOM 0 H2 MET A 1 192.289 -4.080 10.592 1.00 0.00 H new ATOM 0 H3 MET A 1 193.312 -3.415 11.772 1.00 0.00 H new ATOM 0 HA MET A 1 194.821 -5.183 10.193 1.00 0.00 H new ATOM 0 HB2 MET A 1 195.286 -6.166 12.360 1.00 0.00 H new ATOM 0 HB3 MET A 1 195.201 -4.428 12.561 1.00 0.00 H new ATOM 0 HG2 MET A 1 192.598 -5.124 13.061 1.00 0.00 H new ATOM 0 HG3 MET A 1 193.433 -6.553 13.635 1.00 0.00 H new ATOM 0 HE1 MET A 1 195.329 -5.479 16.729 1.00 0.00 H new ATOM 0 HE2 MET A 1 194.397 -6.766 15.928 1.00 0.00 H new ATOM 0 HE3 MET A 1 195.851 -6.103 15.146 1.00 0.00 H new ATOM 18 N THR A 2 193.555 -7.561 10.975 1.00 0.00 N ATOM 19 CA THR A 2 192.782 -8.767 10.713 1.00 0.00 C ATOM 20 C THR A 2 192.524 -8.903 9.215 1.00 0.00 C ATOM 21 O THR A 2 193.007 -8.094 8.421 1.00 0.00 O ATOM 22 CB THR A 2 191.463 -8.740 11.509 1.00 0.00 C ATOM 23 OG1 THR A 2 191.250 -9.979 12.160 1.00 0.00 O ATOM 24 CG2 THR A 2 190.229 -8.452 10.673 1.00 0.00 C ATOM 0 H THR A 2 194.444 -7.723 11.447 1.00 0.00 H new ATOM 0 HA THR A 2 193.351 -9.637 11.041 1.00 0.00 H new ATOM 0 HB THR A 2 191.588 -7.921 12.217 1.00 0.00 H new ATOM 0 HG1 THR A 2 190.409 -9.944 12.662 1.00 0.00 H new ATOM 0 HG21 THR A 2 189.347 -8.452 11.314 1.00 0.00 H new ATOM 0 HG22 THR A 2 190.332 -7.477 10.197 1.00 0.00 H new ATOM 0 HG23 THR A 2 190.121 -9.220 9.907 1.00 0.00 H new ATOM 32 N THR A 3 191.764 -9.917 8.829 1.00 0.00 N ATOM 33 CA THR A 3 191.455 -10.132 7.423 1.00 0.00 C ATOM 34 C THR A 3 189.974 -10.447 7.235 1.00 0.00 C ATOM 35 O THR A 3 189.544 -11.587 7.413 1.00 0.00 O ATOM 36 CB THR A 3 192.308 -11.269 6.859 1.00 0.00 C ATOM 37 OG1 THR A 3 191.939 -11.557 5.522 1.00 0.00 O ATOM 38 CG2 THR A 3 192.197 -12.553 7.652 1.00 0.00 C ATOM 0 H THR A 3 191.352 -10.600 9.465 1.00 0.00 H new ATOM 0 HA THR A 3 191.684 -9.215 6.881 1.00 0.00 H new ATOM 0 HB THR A 3 193.337 -10.913 6.918 1.00 0.00 H new ATOM 0 HG1 THR A 3 192.497 -12.286 5.178 1.00 0.00 H new ATOM 0 HG21 THR A 3 192.827 -13.317 7.197 1.00 0.00 H new ATOM 0 HG22 THR A 3 192.523 -12.377 8.677 1.00 0.00 H new ATOM 0 HG23 THR A 3 191.161 -12.891 7.654 1.00 0.00 H new ATOM 46 N GLU A 4 189.198 -9.429 6.877 1.00 0.00 N ATOM 47 CA GLU A 4 187.764 -9.598 6.668 1.00 0.00 C ATOM 48 C GLU A 4 187.434 -9.661 5.180 1.00 0.00 C ATOM 49 O GLU A 4 188.330 -9.679 4.335 1.00 0.00 O ATOM 50 CB GLU A 4 186.994 -8.453 7.329 1.00 0.00 C ATOM 51 CG GLU A 4 187.373 -7.078 6.801 1.00 0.00 C ATOM 52 CD GLU A 4 187.670 -6.088 7.911 1.00 0.00 C ATOM 53 OE1 GLU A 4 186.756 -5.807 8.714 1.00 0.00 O ATOM 54 OE2 GLU A 4 188.815 -5.594 7.976 1.00 0.00 O ATOM 0 H GLU A 4 189.537 -8.479 6.726 1.00 0.00 H new ATOM 0 HA GLU A 4 187.463 -10.540 7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 4 185.926 -8.609 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 4 187.170 -8.481 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 4 188.247 -7.169 6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 4 186.561 -6.693 6.184 1.00 0.00 H new ATOM 61 N ILE A 5 186.143 -9.696 4.866 1.00 0.00 N ATOM 62 CA ILE A 5 185.693 -9.759 3.478 1.00 0.00 C ATOM 63 C ILE A 5 185.748 -8.381 2.824 1.00 0.00 C ATOM 64 O ILE A 5 185.948 -7.371 3.498 1.00 0.00 O ATOM 65 CB ILE A 5 184.251 -10.308 3.361 1.00 0.00 C ATOM 66 CG1 ILE A 5 183.919 -11.262 4.518 1.00 0.00 C ATOM 67 CG2 ILE A 5 184.060 -11.011 2.026 1.00 0.00 C ATOM 68 CD1 ILE A 5 183.043 -10.637 5.580 1.00 0.00 C ATOM 0 H ILE A 5 185.389 -9.682 5.553 1.00 0.00 H new ATOM 0 HA ILE A 5 186.371 -10.440 2.964 1.00 0.00 H new ATOM 0 HB ILE A 5 183.566 -9.462 3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 5 183.420 -12.145 4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 5 184.848 -11.601 4.977 1.00 0.00 H new ATOM 0 HG21 ILE A 5 183.041 -11.392 1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 5 184.239 -10.306 1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 5 184.763 -11.840 1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 5 182.848 -11.366 6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 5 183.549 -9.771 6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 5 182.099 -10.323 5.135 1.00 0.00 H new ATOM 80 N LYS A 6 185.567 -8.349 1.507 1.00 0.00 N ATOM 81 CA LYS A 6 185.596 -7.096 0.761 1.00 0.00 C ATOM 82 C LYS A 6 184.202 -6.480 0.683 1.00 0.00 C ATOM 83 O LYS A 6 183.275 -6.932 1.355 1.00 0.00 O ATOM 84 CB LYS A 6 186.148 -7.331 -0.648 1.00 0.00 C ATOM 85 CG LYS A 6 187.552 -6.783 -0.851 1.00 0.00 C ATOM 86 CD LYS A 6 187.555 -5.586 -1.788 1.00 0.00 C ATOM 87 CE LYS A 6 188.960 -5.047 -2.001 1.00 0.00 C ATOM 88 NZ LYS A 6 189.221 -4.726 -3.432 1.00 0.00 N ATOM 0 H LYS A 6 185.399 -9.176 0.935 1.00 0.00 H new ATOM 0 HA LYS A 6 186.251 -6.400 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 6 186.151 -8.401 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 6 185.478 -6.869 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 6 187.973 -6.493 0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 6 188.193 -7.565 -1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 6 187.125 -5.873 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 6 186.921 -4.800 -1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 6 189.101 -4.151 -1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 6 189.687 -5.782 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 190.190 -4.361 -3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 189.112 -5.586 -4.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 188.544 -4.006 -3.755 1.00 0.00 H new ATOM 102 N LYS A 7 184.060 -5.444 -0.139 1.00 0.00 N ATOM 103 CA LYS A 7 182.779 -4.766 -0.300 1.00 0.00 C ATOM 104 C LYS A 7 182.388 -4.672 -1.772 1.00 0.00 C ATOM 105 O LYS A 7 183.228 -4.417 -2.635 1.00 0.00 O ATOM 106 CB LYS A 7 182.840 -3.366 0.314 1.00 0.00 C ATOM 107 CG LYS A 7 183.083 -3.371 1.815 1.00 0.00 C ATOM 108 CD LYS A 7 182.972 -1.972 2.403 1.00 0.00 C ATOM 109 CE LYS A 7 184.328 -1.439 2.838 1.00 0.00 C ATOM 110 NZ LYS A 7 184.199 -0.290 3.776 1.00 0.00 N ATOM 0 H LYS A 7 184.816 -5.056 -0.703 1.00 0.00 H new ATOM 0 HA LYS A 7 182.021 -5.352 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 7 183.634 -2.799 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 7 181.904 -2.846 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 7 182.361 -4.029 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 7 184.073 -3.777 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 7 182.536 -1.300 1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 7 182.296 -1.988 3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 7 184.895 -2.237 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 7 184.895 -1.129 1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 185.146 0.044 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 183.680 0.482 3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 183.681 -0.592 4.626 1.00 0.00 H new ATOM 124 N LEU A 8 181.104 -4.880 -2.048 1.00 0.00 N ATOM 125 CA LEU A 8 180.591 -4.819 -3.412 1.00 0.00 C ATOM 126 C LEU A 8 180.740 -3.416 -3.986 1.00 0.00 C ATOM 127 O LEU A 8 180.702 -2.427 -3.254 1.00 0.00 O ATOM 128 CB LEU A 8 179.116 -5.235 -3.445 1.00 0.00 C ATOM 129 CG LEU A 8 178.840 -6.607 -4.057 1.00 0.00 C ATOM 130 CD1 LEU A 8 177.356 -6.931 -3.986 1.00 0.00 C ATOM 131 CD2 LEU A 8 179.328 -6.650 -5.497 1.00 0.00 C ATOM 0 H LEU A 8 180.398 -5.093 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 8 181.173 -5.510 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 8 178.730 -5.225 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 8 178.556 -4.486 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 8 179.383 -7.359 -3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 8 177.176 -7.912 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 8 177.034 -6.936 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 8 176.792 -6.178 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 8 179.125 -7.634 -5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 8 178.809 -5.889 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 8 180.401 -6.458 -5.524 1.00 0.00 H new ATOM 143 N ASP A 9 180.900 -3.335 -5.302 1.00 0.00 N ATOM 144 CA ASP A 9 181.043 -2.049 -5.972 1.00 0.00 C ATOM 145 C ASP A 9 179.794 -1.197 -5.756 1.00 0.00 C ATOM 146 O ASP A 9 178.677 -1.713 -5.752 1.00 0.00 O ATOM 147 CB ASP A 9 181.290 -2.251 -7.467 1.00 0.00 C ATOM 148 CG ASP A 9 182.767 -2.280 -7.811 1.00 0.00 C ATOM 149 OD1 ASP A 9 183.394 -3.348 -7.645 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.296 -1.235 -8.244 1.00 0.00 O ATOM 0 H ASP A 9 180.934 -4.143 -5.924 1.00 0.00 H new ATOM 0 HA ASP A 9 181.900 -1.530 -5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 9 180.827 -3.185 -7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 9 180.806 -1.449 -8.024 1.00 0.00 H new ATOM 155 N PRO A 10 179.965 0.122 -5.568 1.00 0.00 N ATOM 156 CA PRO A 10 178.843 1.039 -5.345 1.00 0.00 C ATOM 157 C PRO A 10 177.703 0.829 -6.339 1.00 0.00 C ATOM 158 O PRO A 10 176.538 0.740 -5.952 1.00 0.00 O ATOM 159 CB PRO A 10 179.476 2.416 -5.538 1.00 0.00 C ATOM 160 CG PRO A 10 180.902 2.230 -5.151 1.00 0.00 C ATOM 161 CD PRO A 10 181.263 0.825 -5.553 1.00 0.00 C ATOM 0 HA PRO A 10 178.387 0.893 -4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 10 179.386 2.753 -6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 10 178.990 3.167 -4.914 1.00 0.00 H new ATOM 0 HG2 PRO A 10 181.540 2.956 -5.655 1.00 0.00 H new ATOM 0 HG3 PRO A 10 181.037 2.376 -4.079 1.00 0.00 H new ATOM 0 HD2 PRO A 10 181.744 0.799 -6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 10 181.956 0.371 -4.845 1.00 0.00 H new ATOM 169 N ASP A 11 178.046 0.753 -7.619 1.00 0.00 N ATOM 170 CA ASP A 11 177.050 0.559 -8.666 1.00 0.00 C ATOM 171 C ASP A 11 176.487 -0.861 -8.646 1.00 0.00 C ATOM 172 O ASP A 11 175.396 -1.110 -9.159 1.00 0.00 O ATOM 173 CB ASP A 11 177.659 0.856 -10.037 1.00 0.00 C ATOM 174 CG ASP A 11 176.609 1.217 -11.070 1.00 0.00 C ATOM 175 OD1 ASP A 11 175.746 2.068 -10.767 1.00 0.00 O ATOM 176 OD2 ASP A 11 176.649 0.648 -12.181 1.00 0.00 O ATOM 0 H ASP A 11 179.006 0.823 -7.957 1.00 0.00 H new ATOM 0 HA ASP A 11 176.230 1.252 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 11 178.371 1.676 -9.945 1.00 0.00 H new ATOM 0 HB3 ASP A 11 178.218 -0.015 -10.380 1.00 0.00 H new ATOM 181 N THR A 12 177.235 -1.791 -8.060 1.00 0.00 N ATOM 182 CA THR A 12 176.801 -3.182 -7.991 1.00 0.00 C ATOM 183 C THR A 12 175.812 -3.405 -6.850 1.00 0.00 C ATOM 184 O THR A 12 174.670 -3.803 -7.080 1.00 0.00 O ATOM 185 CB THR A 12 178.004 -4.111 -7.825 1.00 0.00 C ATOM 186 OG1 THR A 12 178.984 -3.843 -8.814 1.00 0.00 O ATOM 187 CG2 THR A 12 177.642 -5.578 -7.922 1.00 0.00 C ATOM 0 H THR A 12 178.141 -1.608 -7.628 1.00 0.00 H new ATOM 0 HA THR A 12 176.295 -3.414 -8.928 1.00 0.00 H new ATOM 0 HB THR A 12 178.389 -3.913 -6.825 1.00 0.00 H new ATOM 0 HG1 THR A 12 179.578 -4.617 -8.904 1.00 0.00 H new ATOM 0 HG21 THR A 12 178.540 -6.183 -7.796 1.00 0.00 H new ATOM 0 HG22 THR A 12 176.923 -5.828 -7.142 1.00 0.00 H new ATOM 0 HG23 THR A 12 177.202 -5.780 -8.899 1.00 0.00 H new ATOM 195 N ALA A 13 176.253 -3.152 -5.620 1.00 0.00 N ATOM 196 CA ALA A 13 175.401 -3.333 -4.449 1.00 0.00 C ATOM 197 C ALA A 13 174.125 -2.502 -4.543 1.00 0.00 C ATOM 198 O ALA A 13 173.085 -2.887 -4.010 1.00 0.00 O ATOM 199 CB ALA A 13 176.169 -2.979 -3.184 1.00 0.00 C ATOM 0 H ALA A 13 177.195 -2.821 -5.409 1.00 0.00 H new ATOM 0 HA ALA A 13 175.108 -4.382 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.524 -3.117 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 13 177.041 -3.626 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.492 -1.939 -3.234 1.00 0.00 H new ATOM 205 N ILE A 14 174.207 -1.361 -5.220 1.00 0.00 N ATOM 206 CA ILE A 14 173.049 -0.489 -5.373 1.00 0.00 C ATOM 207 C ILE A 14 172.083 -1.048 -6.415 1.00 0.00 C ATOM 208 O ILE A 14 170.921 -1.317 -6.114 1.00 0.00 O ATOM 209 CB ILE A 14 173.468 0.944 -5.769 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.288 1.582 -4.646 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.246 1.798 -6.082 1.00 0.00 C ATOM 212 CD1 ILE A 14 174.968 2.872 -5.050 1.00 0.00 C ATOM 0 H ILE A 14 175.058 -1.021 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 14 172.547 -0.447 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 14 174.083 0.887 -6.667 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.634 1.776 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 14 175.044 0.872 -4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 14 172.565 2.803 -6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 14 171.693 1.353 -6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.604 1.850 -5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.531 3.267 -4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 14 175.648 2.680 -5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.216 3.599 -5.357 1.00 0.00 H new ATOM 224 N ASP A 15 172.573 -1.215 -7.642 1.00 0.00 N ATOM 225 CA ASP A 15 171.758 -1.739 -8.739 1.00 0.00 C ATOM 226 C ASP A 15 170.885 -2.907 -8.282 1.00 0.00 C ATOM 227 O ASP A 15 169.681 -2.935 -8.545 1.00 0.00 O ATOM 228 CB ASP A 15 172.654 -2.186 -9.895 1.00 0.00 C ATOM 229 CG ASP A 15 171.869 -2.453 -11.165 1.00 0.00 C ATOM 230 OD1 ASP A 15 171.170 -1.530 -11.635 1.00 0.00 O ATOM 231 OD2 ASP A 15 171.953 -3.583 -11.688 1.00 0.00 O ATOM 0 H ASP A 15 173.534 -0.994 -7.903 1.00 0.00 H new ATOM 0 HA ASP A 15 171.102 -0.936 -9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 15 173.403 -1.418 -10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.191 -3.089 -9.606 1.00 0.00 H new ATOM 236 N ILE A 16 171.495 -3.866 -7.593 1.00 0.00 N ATOM 237 CA ILE A 16 170.763 -5.028 -7.101 1.00 0.00 C ATOM 238 C ILE A 16 169.702 -4.617 -6.084 1.00 0.00 C ATOM 239 O ILE A 16 168.588 -5.140 -6.093 1.00 0.00 O ATOM 240 CB ILE A 16 171.699 -6.078 -6.465 1.00 0.00 C ATOM 241 CG1 ILE A 16 172.771 -5.404 -5.605 1.00 0.00 C ATOM 242 CG2 ILE A 16 172.341 -6.936 -7.545 1.00 0.00 C ATOM 243 CD1 ILE A 16 172.857 -5.962 -4.202 1.00 0.00 C ATOM 0 H ILE A 16 172.489 -3.862 -7.364 1.00 0.00 H new ATOM 0 HA ILE A 16 170.280 -5.479 -7.968 1.00 0.00 H new ATOM 0 HB ILE A 16 171.103 -6.721 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 16 173.740 -5.516 -6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 16 172.563 -4.335 -5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 16 172.998 -7.672 -7.082 1.00 0.00 H new ATOM 0 HG22 ILE A 16 171.564 -7.449 -8.112 1.00 0.00 H new ATOM 0 HG23 ILE A 16 172.921 -6.302 -8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 16 173.637 -5.438 -3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 16 171.901 -5.826 -3.697 1.00 0.00 H new ATOM 0 HD13 ILE A 16 173.096 -7.025 -4.247 1.00 0.00 H new ATOM 255 N ALA A 17 170.047 -3.669 -5.216 1.00 0.00 N ATOM 256 CA ALA A 17 169.111 -3.186 -4.208 1.00 0.00 C ATOM 257 C ALA A 17 167.933 -2.485 -4.869 1.00 0.00 C ATOM 258 O ALA A 17 166.780 -2.682 -4.485 1.00 0.00 O ATOM 259 CB ALA A 17 169.813 -2.248 -3.237 1.00 0.00 C ATOM 0 H ALA A 17 170.964 -3.223 -5.191 1.00 0.00 H new ATOM 0 HA ALA A 17 168.733 -4.042 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 17 169.100 -1.896 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.625 -2.779 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.217 -1.395 -3.783 1.00 0.00 H new ATOM 265 N TYR A 18 168.235 -1.674 -5.878 1.00 0.00 N ATOM 266 CA TYR A 18 167.211 -0.945 -6.618 1.00 0.00 C ATOM 267 C TYR A 18 166.126 -1.903 -7.101 1.00 0.00 C ATOM 268 O TYR A 18 164.928 -1.628 -6.976 1.00 0.00 O ATOM 269 CB TYR A 18 167.852 -0.227 -7.808 1.00 0.00 C ATOM 270 CG TYR A 18 167.000 0.867 -8.407 1.00 0.00 C ATOM 271 CD1 TYR A 18 165.984 0.573 -9.307 1.00 0.00 C ATOM 272 CD2 TYR A 18 167.221 2.198 -8.078 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.212 1.576 -9.863 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.453 3.205 -8.628 1.00 0.00 C ATOM 275 CZ TYR A 18 165.451 2.890 -9.520 1.00 0.00 C ATOM 276 OH TYR A 18 164.685 3.891 -10.071 1.00 0.00 O ATOM 0 H TYR A 18 169.187 -1.505 -6.203 1.00 0.00 H new ATOM 0 HA TYR A 18 166.752 -0.207 -5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 18 168.802 0.202 -7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.077 -0.961 -8.582 1.00 0.00 H new ATOM 0 HD1 TYR A 18 165.794 -0.455 -9.577 1.00 0.00 H new ATOM 0 HD2 TYR A 18 168.006 2.449 -7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 18 164.426 1.332 -10.562 1.00 0.00 H new ATOM 0 HE2 TYR A 18 166.637 4.235 -8.360 1.00 0.00 H new ATOM 0 HH TYR A 18 164.344 4.471 -9.359 1.00 0.00 H new ATOM 286 N ASP A 19 166.560 -3.038 -7.640 1.00 0.00 N ATOM 287 CA ASP A 19 165.638 -4.052 -8.131 1.00 0.00 C ATOM 288 C ASP A 19 164.823 -4.634 -6.981 1.00 0.00 C ATOM 289 O ASP A 19 163.676 -5.040 -7.165 1.00 0.00 O ATOM 290 CB ASP A 19 166.405 -5.167 -8.845 1.00 0.00 C ATOM 291 CG ASP A 19 166.451 -4.966 -10.347 1.00 0.00 C ATOM 292 OD1 ASP A 19 166.364 -3.803 -10.793 1.00 0.00 O ATOM 293 OD2 ASP A 19 166.573 -5.972 -11.077 1.00 0.00 O ATOM 0 H ASP A 19 167.546 -3.277 -7.747 1.00 0.00 H new ATOM 0 HA ASP A 19 164.957 -3.582 -8.840 1.00 0.00 H new ATOM 0 HB2 ASP A 19 167.422 -5.212 -8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 19 165.937 -6.126 -8.624 1.00 0.00 H new ATOM 298 N ILE A 20 165.422 -4.667 -5.793 1.00 0.00 N ATOM 299 CA ILE A 20 164.749 -5.196 -4.613 1.00 0.00 C ATOM 300 C ILE A 20 163.674 -4.236 -4.120 1.00 0.00 C ATOM 301 O ILE A 20 162.668 -4.663 -3.557 1.00 0.00 O ATOM 302 CB ILE A 20 165.746 -5.479 -3.468 1.00 0.00 C ATOM 303 CG1 ILE A 20 166.821 -6.464 -3.931 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.019 -6.024 -2.245 1.00 0.00 C ATOM 305 CD1 ILE A 20 168.101 -6.386 -3.127 1.00 0.00 C ATOM 0 H ILE A 20 166.371 -4.334 -5.624 1.00 0.00 H new ATOM 0 HA ILE A 20 164.283 -6.136 -4.910 1.00 0.00 H new ATOM 0 HB ILE A 20 166.227 -4.541 -3.191 1.00 0.00 H new ATOM 0 HG12 ILE A 20 166.424 -7.477 -3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.048 -6.274 -4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 20 165.739 -6.217 -1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 20 164.286 -5.294 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 20 164.511 -6.952 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 20 168.817 -7.112 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 20 168.521 -5.384 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 20 167.888 -6.606 -2.081 1.00 0.00 H new ATOM 317 N PHE A 21 163.875 -2.942 -4.345 1.00 0.00 N ATOM 318 CA PHE A 21 162.897 -1.949 -3.927 1.00 0.00 C ATOM 319 C PHE A 21 161.625 -2.095 -4.751 1.00 0.00 C ATOM 320 O PHE A 21 160.523 -2.117 -4.210 1.00 0.00 O ATOM 321 CB PHE A 21 163.467 -0.529 -4.071 1.00 0.00 C ATOM 322 CG PHE A 21 162.427 0.563 -4.002 1.00 0.00 C ATOM 323 CD1 PHE A 21 161.263 0.389 -3.267 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.612 1.760 -4.679 1.00 0.00 C ATOM 325 CE1 PHE A 21 160.307 1.383 -3.209 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.657 2.758 -4.624 1.00 0.00 C ATOM 327 CZ PHE A 21 160.503 2.568 -3.888 1.00 0.00 C ATOM 0 H PHE A 21 164.699 -2.560 -4.810 1.00 0.00 H new ATOM 0 HA PHE A 21 162.660 -2.115 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.204 -0.364 -3.285 1.00 0.00 H new ATOM 0 HB3 PHE A 21 163.993 -0.455 -5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 21 161.103 -0.536 -2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.512 1.914 -5.255 1.00 0.00 H new ATOM 0 HE1 PHE A 21 159.406 1.233 -2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.813 3.685 -5.156 1.00 0.00 H new ATOM 0 HZ PHE A 21 159.755 3.346 -3.844 1.00 0.00 H new ATOM 337 N LEU A 22 161.787 -2.193 -6.064 1.00 0.00 N ATOM 338 CA LEU A 22 160.645 -2.335 -6.960 1.00 0.00 C ATOM 339 C LEU A 22 160.014 -3.721 -6.844 1.00 0.00 C ATOM 340 O LEU A 22 158.843 -3.908 -7.175 1.00 0.00 O ATOM 341 CB LEU A 22 161.079 -2.081 -8.405 1.00 0.00 C ATOM 342 CG LEU A 22 161.317 -0.613 -8.780 1.00 0.00 C ATOM 343 CD1 LEU A 22 161.738 0.209 -7.567 1.00 0.00 C ATOM 344 CD2 LEU A 22 162.368 -0.521 -9.873 1.00 0.00 C ATOM 0 H LEU A 22 162.693 -2.177 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 22 159.897 -1.598 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 22 161.997 -2.638 -8.592 1.00 0.00 H new ATOM 0 HB3 LEU A 22 160.318 -2.488 -9.070 1.00 0.00 H new ATOM 0 HG LEU A 22 160.379 -0.200 -9.150 1.00 0.00 H new ATOM 0 HD11 LEU A 22 161.899 1.244 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 22 160.955 0.168 -6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 22 162.662 -0.197 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 22 162.531 0.525 -10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 22 163.302 -0.956 -9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 22 162.026 -1.065 -10.753 1.00 0.00 H new ATOM 356 N GLU A 23 160.798 -4.693 -6.386 1.00 0.00 N ATOM 357 CA GLU A 23 160.315 -6.061 -6.244 1.00 0.00 C ATOM 358 C GLU A 23 159.644 -6.287 -4.886 1.00 0.00 C ATOM 359 O GLU A 23 158.544 -6.835 -4.816 1.00 0.00 O ATOM 360 CB GLU A 23 161.479 -7.044 -6.443 1.00 0.00 C ATOM 361 CG GLU A 23 161.396 -8.297 -5.587 1.00 0.00 C ATOM 362 CD GLU A 23 162.180 -9.457 -6.170 1.00 0.00 C ATOM 363 OE1 GLU A 23 163.392 -9.288 -6.421 1.00 0.00 O ATOM 364 OE2 GLU A 23 161.582 -10.534 -6.376 1.00 0.00 O ATOM 0 H GLU A 23 161.770 -4.558 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 23 159.560 -6.236 -7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 23 161.516 -7.337 -7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 23 162.415 -6.530 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 23 161.772 -8.075 -4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 23 160.351 -8.588 -5.477 1.00 0.00 H new ATOM 371 N MET A 24 160.314 -5.880 -3.812 1.00 0.00 N ATOM 372 CA MET A 24 159.775 -6.061 -2.466 1.00 0.00 C ATOM 373 C MET A 24 158.657 -5.066 -2.168 1.00 0.00 C ATOM 374 O MET A 24 157.613 -5.439 -1.634 1.00 0.00 O ATOM 375 CB MET A 24 160.883 -5.920 -1.420 1.00 0.00 C ATOM 376 CG MET A 24 161.549 -7.237 -1.058 1.00 0.00 C ATOM 377 SD MET A 24 162.222 -7.238 0.615 1.00 0.00 S ATOM 378 CE MET A 24 160.783 -6.746 1.561 1.00 0.00 C ATOM 0 H MET A 24 161.226 -5.425 -3.846 1.00 0.00 H new ATOM 0 HA MET A 24 159.358 -7.067 -2.417 1.00 0.00 H new ATOM 0 HB2 MET A 24 161.640 -5.231 -1.795 1.00 0.00 H new ATOM 0 HB3 MET A 24 160.465 -5.474 -0.518 1.00 0.00 H new ATOM 0 HG2 MET A 24 160.824 -8.045 -1.154 1.00 0.00 H new ATOM 0 HG3 MET A 24 162.350 -7.442 -1.768 1.00 0.00 H new ATOM 0 HE1 MET A 24 160.909 -7.051 2.600 1.00 0.00 H new ATOM 0 HE2 MET A 24 160.668 -5.663 1.512 1.00 0.00 H new ATOM 0 HE3 MET A 24 159.895 -7.224 1.148 1.00 0.00 H new ATOM 388 N ALA A 25 158.887 -3.798 -2.503 1.00 0.00 N ATOM 389 CA ALA A 25 157.897 -2.746 -2.255 1.00 0.00 C ATOM 390 C ALA A 25 156.484 -3.202 -2.610 1.00 0.00 C ATOM 391 O ALA A 25 156.156 -3.393 -3.781 1.00 0.00 O ATOM 392 CB ALA A 25 158.250 -1.487 -3.031 1.00 0.00 C ATOM 0 H ALA A 25 159.746 -3.472 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 25 157.918 -2.526 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 25 157.504 -0.717 -2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.231 -1.130 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 25 158.269 -1.710 -4.098 1.00 0.00 H new ATOM 398 N GLY A 26 155.653 -3.374 -1.586 1.00 0.00 N ATOM 399 CA GLY A 26 154.285 -3.805 -1.802 1.00 0.00 C ATOM 400 C GLY A 26 153.422 -3.628 -0.568 1.00 0.00 C ATOM 401 O GLY A 26 153.172 -2.504 -0.133 1.00 0.00 O ATOM 0 H GLY A 26 155.904 -3.222 -0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 26 153.854 -3.238 -2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.280 -4.854 -2.098 1.00 0.00 H new ATOM 405 N GLU A 27 152.965 -4.742 -0.003 1.00 0.00 N ATOM 406 CA GLU A 27 152.123 -4.706 1.187 1.00 0.00 C ATOM 407 C GLU A 27 152.914 -4.237 2.405 1.00 0.00 C ATOM 408 O GLU A 27 152.393 -3.512 3.253 1.00 0.00 O ATOM 409 CB GLU A 27 151.527 -6.089 1.456 1.00 0.00 C ATOM 410 CG GLU A 27 150.436 -6.484 0.474 1.00 0.00 C ATOM 411 CD GLU A 27 150.730 -7.793 -0.232 1.00 0.00 C ATOM 412 OE1 GLU A 27 150.461 -8.860 0.360 1.00 0.00 O ATOM 413 OE2 GLU A 27 151.231 -7.752 -1.375 1.00 0.00 O ATOM 0 H GLU A 27 153.164 -5.680 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 27 151.316 -3.996 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 27 152.324 -6.832 1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 27 151.119 -6.109 2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 27 149.488 -6.567 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 27 150.317 -5.694 -0.268 1.00 0.00 H new ATOM 420 N ASN A 28 154.173 -4.659 2.489 1.00 0.00 N ATOM 421 CA ASN A 28 155.034 -4.284 3.607 1.00 0.00 C ATOM 422 C ASN A 28 155.083 -2.768 3.779 1.00 0.00 C ATOM 423 O ASN A 28 155.126 -2.262 4.900 1.00 0.00 O ATOM 424 CB ASN A 28 156.449 -4.829 3.394 1.00 0.00 C ATOM 425 CG ASN A 28 156.636 -6.203 4.008 1.00 0.00 C ATOM 426 OD1 ASN A 28 157.346 -6.361 5.001 1.00 0.00 O ATOM 427 ND2 ASN A 28 155.999 -7.207 3.417 1.00 0.00 N ATOM 0 H ASN A 28 154.619 -5.260 1.797 1.00 0.00 H new ATOM 0 HA ASN A 28 154.614 -4.719 4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 28 156.659 -4.879 2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.171 -4.138 3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 28 156.088 -8.154 3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 28 155.421 -7.031 2.596 1.00 0.00 H new ATOM 434 N LEU A 29 155.077 -2.050 2.661 1.00 0.00 N ATOM 435 CA LEU A 29 155.121 -0.593 2.688 1.00 0.00 C ATOM 436 C LEU A 29 153.713 -0.009 2.781 1.00 0.00 C ATOM 437 O LEU A 29 152.748 -0.613 2.313 1.00 0.00 O ATOM 438 CB LEU A 29 155.833 -0.065 1.440 1.00 0.00 C ATOM 439 CG LEU A 29 156.442 1.333 1.577 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.439 1.593 0.457 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.348 2.386 1.567 1.00 0.00 C ATOM 0 H LEU A 29 155.042 -2.454 1.725 1.00 0.00 H new ATOM 0 HA LEU A 29 155.678 -0.282 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 29 156.625 -0.764 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 29 155.123 -0.055 0.613 1.00 0.00 H new ATOM 0 HG LEU A 29 156.971 1.389 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 29 157.862 2.591 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.238 0.853 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 29 156.932 1.521 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.795 3.375 1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 29 154.796 2.328 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.667 2.211 2.400 1.00 0.00 H new ATOM 453 N ASP A 30 153.602 1.169 3.389 1.00 0.00 N ATOM 454 CA ASP A 30 152.311 1.833 3.544 1.00 0.00 C ATOM 455 C ASP A 30 151.798 2.360 2.202 1.00 0.00 C ATOM 456 O ASP A 30 152.547 2.970 1.439 1.00 0.00 O ATOM 457 CB ASP A 30 152.422 2.983 4.547 1.00 0.00 C ATOM 458 CG ASP A 30 152.230 2.522 5.979 1.00 0.00 C ATOM 459 OD1 ASP A 30 152.972 1.617 6.416 1.00 0.00 O ATOM 460 OD2 ASP A 30 151.339 3.067 6.663 1.00 0.00 O ATOM 0 H ASP A 30 154.390 1.683 3.782 1.00 0.00 H new ATOM 0 HA ASP A 30 151.599 1.098 3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 30 153.400 3.455 4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 30 151.676 3.742 4.309 1.00 0.00 H new ATOM 465 N PRO A 31 150.507 2.133 1.894 1.00 0.00 N ATOM 466 CA PRO A 31 149.899 2.587 0.636 1.00 0.00 C ATOM 467 C PRO A 31 150.245 4.034 0.296 1.00 0.00 C ATOM 468 O PRO A 31 150.822 4.313 -0.755 1.00 0.00 O ATOM 469 CB PRO A 31 148.402 2.444 0.905 1.00 0.00 C ATOM 470 CG PRO A 31 148.303 1.329 1.887 1.00 0.00 C ATOM 471 CD PRO A 31 149.537 1.417 2.746 1.00 0.00 C ATOM 0 HA PRO A 31 150.257 2.012 -0.218 1.00 0.00 H new ATOM 0 HB2 PRO A 31 147.982 3.366 1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 31 147.855 2.217 -0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 31 147.400 1.421 2.491 1.00 0.00 H new ATOM 0 HG3 PRO A 31 148.250 0.366 1.379 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.342 1.958 3.672 1.00 0.00 H new ATOM 0 HD3 PRO A 31 149.902 0.428 3.025 1.00 0.00 H new ATOM 479 N ALA A 32 149.884 4.955 1.185 1.00 0.00 N ATOM 480 CA ALA A 32 150.153 6.375 0.972 1.00 0.00 C ATOM 481 C ALA A 32 151.593 6.612 0.523 1.00 0.00 C ATOM 482 O ALA A 32 151.841 7.305 -0.465 1.00 0.00 O ATOM 483 CB ALA A 32 149.860 7.161 2.241 1.00 0.00 C ATOM 0 H ALA A 32 149.404 4.744 2.060 1.00 0.00 H new ATOM 0 HA ALA A 32 149.495 6.723 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 32 150.064 8.218 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 32 148.813 7.034 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 32 150.493 6.796 3.050 1.00 0.00 H new ATOM 489 N ASP A 33 152.537 6.037 1.258 1.00 0.00 N ATOM 490 CA ASP A 33 153.953 6.186 0.943 1.00 0.00 C ATOM 491 C ASP A 33 154.273 5.644 -0.447 1.00 0.00 C ATOM 492 O ASP A 33 155.206 6.107 -1.101 1.00 0.00 O ATOM 493 CB ASP A 33 154.802 5.463 1.990 1.00 0.00 C ATOM 494 CG ASP A 33 155.079 6.324 3.207 1.00 0.00 C ATOM 495 OD1 ASP A 33 154.889 7.555 3.120 1.00 0.00 O ATOM 496 OD2 ASP A 33 155.487 5.767 4.248 1.00 0.00 O ATOM 0 H ASP A 33 152.347 5.462 2.079 1.00 0.00 H new ATOM 0 HA ASP A 33 154.189 7.250 0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 33 154.291 4.552 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 33 155.748 5.160 1.540 1.00 0.00 H new ATOM 501 N ILE A 34 153.498 4.660 -0.894 1.00 0.00 N ATOM 502 CA ILE A 34 153.712 4.061 -2.206 1.00 0.00 C ATOM 503 C ILE A 34 153.420 5.062 -3.322 1.00 0.00 C ATOM 504 O ILE A 34 154.254 5.280 -4.201 1.00 0.00 O ATOM 505 CB ILE A 34 152.845 2.798 -2.404 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.225 1.732 -1.375 1.00 0.00 C ATOM 507 CG2 ILE A 34 153.003 2.250 -3.816 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.130 0.718 -1.123 1.00 0.00 C ATOM 0 H ILE A 34 152.719 4.262 -0.369 1.00 0.00 H new ATOM 0 HA ILE A 34 154.762 3.771 -2.254 1.00 0.00 H new ATOM 0 HB ILE A 34 151.800 3.072 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 34 154.120 1.211 -1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.480 2.221 -0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 34 152.383 1.361 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 34 152.692 3.006 -4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 34 154.047 1.990 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 34 152.469 -0.007 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.241 1.227 -0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 34 151.891 0.202 -2.053 1.00 0.00 H new ATOM 520 N LEU A 35 152.237 5.670 -3.285 1.00 0.00 N ATOM 521 CA LEU A 35 151.858 6.646 -4.303 1.00 0.00 C ATOM 522 C LEU A 35 152.877 7.784 -4.354 1.00 0.00 C ATOM 523 O LEU A 35 153.398 8.113 -5.419 1.00 0.00 O ATOM 524 CB LEU A 35 150.429 7.165 -4.050 1.00 0.00 C ATOM 525 CG LEU A 35 150.301 8.517 -3.334 1.00 0.00 C ATOM 526 CD1 LEU A 35 150.641 9.661 -4.279 1.00 0.00 C ATOM 527 CD2 LEU A 35 148.894 8.686 -2.779 1.00 0.00 C ATOM 0 H LEU A 35 151.530 5.506 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 35 151.859 6.159 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.919 7.240 -5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 35 149.895 6.418 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 35 151.009 8.538 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 35 150.544 10.610 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 35 151.665 9.547 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 35 149.958 9.647 -5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 35 148.815 9.648 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 35 148.173 8.645 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 35 148.684 7.885 -2.070 1.00 0.00 H new ATOM 539 N LEU A 36 153.162 8.375 -3.196 1.00 0.00 N ATOM 540 CA LEU A 36 154.125 9.469 -3.114 1.00 0.00 C ATOM 541 C LEU A 36 155.445 9.071 -3.768 1.00 0.00 C ATOM 542 O LEU A 36 155.970 9.785 -4.620 1.00 0.00 O ATOM 543 CB LEU A 36 154.360 9.863 -1.653 1.00 0.00 C ATOM 544 CG LEU A 36 154.456 11.368 -1.396 1.00 0.00 C ATOM 545 CD1 LEU A 36 153.073 12.000 -1.401 1.00 0.00 C ATOM 546 CD2 LEU A 36 155.163 11.637 -0.076 1.00 0.00 C ATOM 0 H LEU A 36 152.741 8.115 -2.304 1.00 0.00 H new ATOM 0 HA LEU A 36 153.716 10.327 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 36 153.549 9.458 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.281 9.392 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 36 155.041 11.819 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 36 153.162 13.071 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 36 152.602 11.837 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 36 152.463 11.547 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 36 155.223 12.712 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 36 154.604 11.173 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 36 156.169 11.218 -0.110 1.00 0.00 H new ATOM 558 N PHE A 37 155.965 7.915 -3.367 1.00 0.00 N ATOM 559 CA PHE A 37 157.216 7.396 -3.912 1.00 0.00 C ATOM 560 C PHE A 37 157.210 7.437 -5.439 1.00 0.00 C ATOM 561 O PHE A 37 158.205 7.802 -6.065 1.00 0.00 O ATOM 562 CB PHE A 37 157.431 5.958 -3.434 1.00 0.00 C ATOM 563 CG PHE A 37 158.864 5.623 -3.134 1.00 0.00 C ATOM 564 CD1 PHE A 37 159.876 6.011 -3.996 1.00 0.00 C ATOM 565 CD2 PHE A 37 159.197 4.914 -1.991 1.00 0.00 C ATOM 566 CE1 PHE A 37 161.193 5.699 -3.724 1.00 0.00 C ATOM 567 CE2 PHE A 37 160.513 4.598 -1.715 1.00 0.00 C ATOM 568 CZ PHE A 37 161.512 4.992 -2.582 1.00 0.00 C ATOM 0 H PHE A 37 155.536 7.316 -2.662 1.00 0.00 H new ATOM 0 HA PHE A 37 158.031 8.026 -3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 37 156.834 5.791 -2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 37 157.060 5.273 -4.196 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.632 6.564 -4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 37 158.419 4.605 -1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 37 161.973 6.008 -4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 37 160.760 4.043 -0.822 1.00 0.00 H new ATOM 0 HZ PHE A 37 162.542 4.748 -2.367 1.00 0.00 H new ATOM 578 N ASN A 38 156.083 7.054 -6.031 1.00 0.00 N ATOM 579 CA ASN A 38 155.947 7.040 -7.483 1.00 0.00 C ATOM 580 C ASN A 38 156.059 8.449 -8.062 1.00 0.00 C ATOM 581 O ASN A 38 156.907 8.712 -8.914 1.00 0.00 O ATOM 582 CB ASN A 38 154.610 6.415 -7.891 1.00 0.00 C ATOM 583 CG ASN A 38 154.262 5.185 -7.072 1.00 0.00 C ATOM 584 OD1 ASN A 38 153.104 4.972 -6.714 1.00 0.00 O ATOM 585 ND2 ASN A 38 155.265 4.367 -6.772 1.00 0.00 N ATOM 0 H ASN A 38 155.250 6.749 -5.527 1.00 0.00 H new ATOM 0 HA ASN A 38 156.761 6.437 -7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 38 153.819 7.156 -7.780 1.00 0.00 H new ATOM 0 HB3 ASN A 38 154.647 6.145 -8.946 1.00 0.00 H new ATOM 0 HD21 ASN A 38 155.090 3.524 -6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 38 156.210 4.582 -7.089 1.00 0.00 H new ATOM 592 N LEU A 39 155.197 9.351 -7.599 1.00 0.00 N ATOM 593 CA LEU A 39 155.205 10.729 -8.081 1.00 0.00 C ATOM 594 C LEU A 39 156.130 11.602 -7.236 1.00 0.00 C ATOM 595 O LEU A 39 155.746 12.687 -6.797 1.00 0.00 O ATOM 596 CB LEU A 39 153.787 11.312 -8.071 1.00 0.00 C ATOM 597 CG LEU A 39 152.677 10.375 -8.566 1.00 0.00 C ATOM 598 CD1 LEU A 39 153.174 9.492 -9.704 1.00 0.00 C ATOM 599 CD2 LEU A 39 152.144 9.526 -7.420 1.00 0.00 C ATOM 0 H LEU A 39 154.487 9.153 -6.894 1.00 0.00 H new ATOM 0 HA LEU A 39 155.578 10.720 -9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 39 153.549 11.621 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 39 153.780 12.211 -8.687 1.00 0.00 H new ATOM 0 HG LEU A 39 151.862 10.989 -8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 39 152.368 8.838 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 39 153.499 10.118 -10.535 1.00 0.00 H new ATOM 0 HD13 LEU A 39 154.012 8.887 -9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 39 151.358 8.868 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 39 152.954 8.926 -7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 39 151.738 10.175 -6.644 1.00 0.00 H new ATOM 611 N GLN A 40 157.352 11.126 -7.016 1.00 0.00 N ATOM 612 CA GLN A 40 158.331 11.867 -6.228 1.00 0.00 C ATOM 613 C GLN A 40 159.752 11.460 -6.600 1.00 0.00 C ATOM 614 O GLN A 40 160.613 12.311 -6.819 1.00 0.00 O ATOM 615 CB GLN A 40 158.112 11.624 -4.736 1.00 0.00 C ATOM 616 CG GLN A 40 156.892 12.322 -4.163 1.00 0.00 C ATOM 617 CD GLN A 40 156.988 13.835 -4.247 1.00 0.00 C ATOM 618 OE1 GLN A 40 156.627 14.433 -5.260 1.00 0.00 O ATOM 619 NE2 GLN A 40 157.475 14.464 -3.181 1.00 0.00 N ATOM 0 H GLN A 40 157.688 10.231 -7.372 1.00 0.00 H new ATOM 0 HA GLN A 40 158.197 12.926 -6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 40 158.017 10.552 -4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 40 158.996 11.957 -4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 40 156.003 11.988 -4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 40 156.766 12.027 -3.121 1.00 0.00 H new ATOM 0 HE21 GLN A 40 157.763 13.930 -2.361 1.00 0.00 H new ATOM 0 HE22 GLN A 40 157.560 15.480 -3.183 1.00 0.00 H new ATOM 628 N PHE A 41 159.991 10.151 -6.656 1.00 0.00 N ATOM 629 CA PHE A 41 161.312 9.619 -6.988 1.00 0.00 C ATOM 630 C PHE A 41 161.948 10.381 -8.149 1.00 0.00 C ATOM 631 O PHE A 41 163.157 10.613 -8.164 1.00 0.00 O ATOM 632 CB PHE A 41 161.219 8.134 -7.335 1.00 0.00 C ATOM 633 CG PHE A 41 162.554 7.448 -7.338 1.00 0.00 C ATOM 634 CD1 PHE A 41 163.231 7.223 -6.151 1.00 0.00 C ATOM 635 CD2 PHE A 41 163.134 7.036 -8.526 1.00 0.00 C ATOM 636 CE1 PHE A 41 164.463 6.599 -6.148 1.00 0.00 C ATOM 637 CE2 PHE A 41 164.366 6.410 -8.530 1.00 0.00 C ATOM 638 CZ PHE A 41 165.032 6.192 -7.339 1.00 0.00 C ATOM 0 H PHE A 41 159.285 9.437 -6.475 1.00 0.00 H new ATOM 0 HA PHE A 41 161.945 9.745 -6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 41 160.564 7.639 -6.618 1.00 0.00 H new ATOM 0 HB3 PHE A 41 160.758 8.024 -8.317 1.00 0.00 H new ATOM 0 HD1 PHE A 41 162.790 7.539 -5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 41 162.618 7.206 -9.459 1.00 0.00 H new ATOM 0 HE1 PHE A 41 164.981 6.429 -5.216 1.00 0.00 H new ATOM 0 HE2 PHE A 41 164.808 6.092 -9.463 1.00 0.00 H new ATOM 0 HZ PHE A 41 165.996 5.704 -7.339 1.00 0.00 H new ATOM 648 N GLU A 42 161.126 10.769 -9.118 1.00 0.00 N ATOM 649 CA GLU A 42 161.611 11.504 -10.281 1.00 0.00 C ATOM 650 C GLU A 42 162.302 12.797 -9.859 1.00 0.00 C ATOM 651 O GLU A 42 163.376 13.130 -10.360 1.00 0.00 O ATOM 652 CB GLU A 42 160.453 11.818 -11.231 1.00 0.00 C ATOM 653 CG GLU A 42 160.888 12.522 -12.505 1.00 0.00 C ATOM 654 CD GLU A 42 159.818 12.494 -13.580 1.00 0.00 C ATOM 655 OE1 GLU A 42 159.312 11.393 -13.885 1.00 0.00 O ATOM 656 OE2 GLU A 42 159.488 13.572 -14.117 1.00 0.00 O ATOM 0 H GLU A 42 160.122 10.587 -9.122 1.00 0.00 H new ATOM 0 HA GLU A 42 162.337 10.877 -10.798 1.00 0.00 H new ATOM 0 HB2 GLU A 42 159.947 10.889 -11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 42 159.726 12.442 -10.711 1.00 0.00 H new ATOM 0 HG2 GLU A 42 161.141 13.557 -12.276 1.00 0.00 H new ATOM 0 HG3 GLU A 42 161.793 12.050 -12.886 1.00 0.00 H new ATOM 663 N GLU A 43 161.679 13.523 -8.937 1.00 0.00 N ATOM 664 CA GLU A 43 162.234 14.782 -8.450 1.00 0.00 C ATOM 665 C GLU A 43 163.014 14.573 -7.154 1.00 0.00 C ATOM 666 O GLU A 43 164.214 14.838 -7.092 1.00 0.00 O ATOM 667 CB GLU A 43 161.116 15.804 -8.229 1.00 0.00 C ATOM 668 CG GLU A 43 161.433 17.181 -8.788 1.00 0.00 C ATOM 669 CD GLU A 43 161.506 17.194 -10.302 1.00 0.00 C ATOM 670 OE1 GLU A 43 162.524 16.724 -10.851 1.00 0.00 O ATOM 671 OE2 GLU A 43 160.544 17.673 -10.939 1.00 0.00 O ATOM 0 H GLU A 43 160.790 13.262 -8.512 1.00 0.00 H new ATOM 0 HA GLU A 43 162.921 15.162 -9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 43 160.201 15.435 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 43 160.920 15.891 -7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 43 160.670 17.887 -8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 43 162.383 17.525 -8.379 1.00 0.00 H new ATOM 678 N ARG A 44 162.323 14.100 -6.122 1.00 0.00 N ATOM 679 CA ARG A 44 162.949 13.860 -4.827 1.00 0.00 C ATOM 680 C ARG A 44 163.406 12.409 -4.704 1.00 0.00 C ATOM 681 O ARG A 44 162.928 11.667 -3.849 1.00 0.00 O ATOM 682 CB ARG A 44 161.973 14.198 -3.699 1.00 0.00 C ATOM 683 CG ARG A 44 161.578 15.666 -3.656 1.00 0.00 C ATOM 684 CD ARG A 44 160.256 15.907 -4.366 1.00 0.00 C ATOM 685 NE ARG A 44 160.235 17.190 -5.064 1.00 0.00 N ATOM 686 CZ ARG A 44 159.375 17.492 -6.034 1.00 0.00 C ATOM 687 NH1 ARG A 44 158.466 16.608 -6.425 1.00 0.00 N ATOM 688 NH2 ARG A 44 159.424 18.683 -6.616 1.00 0.00 N ATOM 0 H ARG A 44 161.329 13.875 -6.157 1.00 0.00 H new ATOM 0 HA ARG A 44 163.825 14.504 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 44 161.074 13.592 -3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 44 162.424 13.923 -2.745 1.00 0.00 H new ATOM 0 HG2 ARG A 44 161.500 15.993 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 44 162.358 16.268 -4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.076 15.103 -5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 44 159.444 15.876 -3.640 1.00 0.00 H new ATOM 0 HE ARG A 44 160.919 17.896 -4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 44 158.423 15.690 -5.982 1.00 0.00 H new ATOM 0 HH12 ARG A 44 157.810 16.846 -7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 44 160.121 19.367 -6.320 1.00 0.00 H new ATOM 0 HH22 ARG A 44 158.765 18.915 -7.359 1.00 0.00 H new ATOM 702 N GLY A 45 164.339 12.011 -5.559 1.00 0.00 N ATOM 703 CA GLY A 45 164.844 10.652 -5.523 1.00 0.00 C ATOM 704 C GLY A 45 166.075 10.514 -4.651 1.00 0.00 C ATOM 705 O GLY A 45 167.000 11.321 -4.738 1.00 0.00 O ATOM 0 H GLY A 45 164.755 12.605 -6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 45 164.064 9.987 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 45 165.082 10.329 -6.536 1.00 0.00 H new ATOM 709 N GLY A 46 166.088 9.486 -3.808 1.00 0.00 N ATOM 710 CA GLY A 46 167.219 9.261 -2.931 1.00 0.00 C ATOM 711 C GLY A 46 167.636 7.805 -2.888 1.00 0.00 C ATOM 712 O GLY A 46 166.810 6.923 -2.655 1.00 0.00 O ATOM 0 H GLY A 46 165.334 8.805 -3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 46 168.061 9.867 -3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 46 166.966 9.594 -1.924 1.00 0.00 H new ATOM 716 N VAL A 47 168.921 7.555 -3.111 1.00 0.00 N ATOM 717 CA VAL A 47 169.456 6.198 -3.094 1.00 0.00 C ATOM 718 C VAL A 47 170.913 6.211 -2.646 1.00 0.00 C ATOM 719 O VAL A 47 171.809 5.790 -3.380 1.00 0.00 O ATOM 720 CB VAL A 47 169.351 5.517 -4.481 1.00 0.00 C ATOM 721 CG1 VAL A 47 168.107 4.642 -4.555 1.00 0.00 C ATOM 722 CG2 VAL A 47 169.349 6.554 -5.597 1.00 0.00 C ATOM 0 H VAL A 47 169.614 8.277 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 47 168.856 5.624 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 47 170.226 4.881 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 47 168.051 4.172 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 47 168.158 3.871 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 47 167.220 5.256 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 47 169.274 6.051 -6.561 1.00 0.00 H new ATOM 0 HG22 VAL A 47 168.498 7.223 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 47 170.273 7.131 -5.559 1.00 0.00 H new ATOM 732 N GLU A 48 171.144 6.711 -1.437 1.00 0.00 N ATOM 733 CA GLU A 48 172.491 6.798 -0.887 1.00 0.00 C ATOM 734 C GLU A 48 172.930 5.471 -0.280 1.00 0.00 C ATOM 735 O GLU A 48 172.250 4.914 0.582 1.00 0.00 O ATOM 736 CB GLU A 48 172.557 7.900 0.172 1.00 0.00 C ATOM 737 CG GLU A 48 173.965 8.179 0.673 1.00 0.00 C ATOM 738 CD GLU A 48 174.856 8.778 -0.398 1.00 0.00 C ATOM 739 OE1 GLU A 48 175.315 8.021 -1.279 1.00 0.00 O ATOM 740 OE2 GLU A 48 175.094 10.003 -0.355 1.00 0.00 O ATOM 0 H GLU A 48 170.414 7.063 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 48 173.171 7.039 -1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 48 172.140 8.817 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 48 171.929 7.618 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 48 173.916 8.860 1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 48 174.409 7.251 1.033 1.00 0.00 H new ATOM 747 N PHE A 49 174.077 4.974 -0.731 1.00 0.00 N ATOM 748 CA PHE A 49 174.615 3.718 -0.227 1.00 0.00 C ATOM 749 C PHE A 49 175.391 3.951 1.065 1.00 0.00 C ATOM 750 O PHE A 49 176.558 4.342 1.038 1.00 0.00 O ATOM 751 CB PHE A 49 175.524 3.070 -1.272 1.00 0.00 C ATOM 752 CG PHE A 49 176.091 1.751 -0.834 1.00 0.00 C ATOM 753 CD1 PHE A 49 175.279 0.634 -0.728 1.00 0.00 C ATOM 754 CD2 PHE A 49 177.436 1.629 -0.524 1.00 0.00 C ATOM 755 CE1 PHE A 49 175.797 -0.581 -0.322 1.00 0.00 C ATOM 756 CE2 PHE A 49 177.960 0.417 -0.117 1.00 0.00 C ATOM 757 CZ PHE A 49 177.139 -0.689 -0.016 1.00 0.00 C ATOM 0 H PHE A 49 174.651 5.423 -1.445 1.00 0.00 H new ATOM 0 HA PHE A 49 173.782 3.046 -0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 49 174.960 2.927 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.344 3.751 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 49 174.228 0.714 -0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 49 178.082 2.491 -0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 49 175.153 -1.445 -0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 49 179.010 0.335 0.122 1.00 0.00 H new ATOM 0 HZ PHE A 49 177.546 -1.637 0.302 1.00 0.00 H new ATOM 767 N VAL A 50 174.734 3.713 2.195 1.00 0.00 N ATOM 768 CA VAL A 50 175.368 3.903 3.496 1.00 0.00 C ATOM 769 C VAL A 50 176.051 2.627 3.972 1.00 0.00 C ATOM 770 O VAL A 50 175.824 1.543 3.429 1.00 0.00 O ATOM 771 CB VAL A 50 174.364 4.361 4.577 1.00 0.00 C ATOM 772 CG1 VAL A 50 174.176 5.868 4.531 1.00 0.00 C ATOM 773 CG2 VAL A 50 173.031 3.645 4.427 1.00 0.00 C ATOM 0 H VAL A 50 173.768 3.390 2.238 1.00 0.00 H new ATOM 0 HA VAL A 50 176.111 4.688 3.355 1.00 0.00 H new ATOM 0 HB VAL A 50 174.776 4.097 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 50 173.465 6.170 5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 50 175.133 6.360 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 50 173.795 6.157 3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 50 172.345 3.988 5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 50 172.609 3.863 3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.182 2.570 4.526 1.00 0.00 H new ATOM 783 N GLU A 51 176.889 2.767 4.992 1.00 0.00 N ATOM 784 CA GLU A 51 177.610 1.632 5.550 1.00 0.00 C ATOM 785 C GLU A 51 176.908 1.102 6.794 1.00 0.00 C ATOM 786 O GLU A 51 176.083 1.790 7.395 1.00 0.00 O ATOM 787 CB GLU A 51 179.046 2.036 5.890 1.00 0.00 C ATOM 788 CG GLU A 51 179.144 3.043 7.025 1.00 0.00 C ATOM 789 CD GLU A 51 180.355 3.947 6.898 1.00 0.00 C ATOM 790 OE1 GLU A 51 180.318 4.875 6.062 1.00 0.00 O ATOM 791 OE2 GLU A 51 181.339 3.728 7.634 1.00 0.00 O ATOM 0 H GLU A 51 177.086 3.657 5.449 1.00 0.00 H new ATOM 0 HA GLU A 51 177.630 0.839 4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 51 179.612 1.144 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.516 2.457 5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 51 178.240 3.652 7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 51 179.190 2.511 7.975 1.00 0.00 H new ATOM 798 N THR A 52 177.241 -0.126 7.176 1.00 0.00 N ATOM 799 CA THR A 52 176.646 -0.756 8.349 1.00 0.00 C ATOM 800 C THR A 52 176.759 0.144 9.578 1.00 0.00 C ATOM 801 O THR A 52 177.539 1.096 9.595 1.00 0.00 O ATOM 802 CB THR A 52 177.325 -2.097 8.620 1.00 0.00 C ATOM 803 OG1 THR A 52 177.273 -2.924 7.471 1.00 0.00 O ATOM 804 CG2 THR A 52 176.709 -2.867 9.770 1.00 0.00 C ATOM 0 H THR A 52 177.923 -0.707 6.688 1.00 0.00 H new ATOM 0 HA THR A 52 175.588 -0.920 8.146 1.00 0.00 H new ATOM 0 HB THR A 52 178.353 -1.849 8.885 1.00 0.00 H new ATOM 0 HG1 THR A 52 176.354 -2.958 7.133 1.00 0.00 H new ATOM 0 HG21 THR A 52 177.242 -3.808 9.905 1.00 0.00 H new ATOM 0 HG22 THR A 52 176.780 -2.276 10.683 1.00 0.00 H new ATOM 0 HG23 THR A 52 175.661 -3.072 9.551 1.00 0.00 H new ATOM 812 N ALA A 53 175.973 -0.168 10.603 1.00 0.00 N ATOM 813 CA ALA A 53 175.978 0.604 11.838 1.00 0.00 C ATOM 814 C ALA A 53 175.943 -0.312 13.058 1.00 0.00 C ATOM 815 O ALA A 53 175.594 -1.488 12.952 1.00 0.00 O ATOM 816 CB ALA A 53 174.797 1.561 11.862 1.00 0.00 C ATOM 0 H ALA A 53 175.322 -0.954 10.601 1.00 0.00 H new ATOM 0 HA ALA A 53 176.902 1.180 11.876 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.811 2.133 12.790 1.00 0.00 H new ATOM 0 HB2 ALA A 53 174.864 2.243 11.014 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.868 0.994 11.799 1.00 0.00 H new ATOM 822 N ASP A 54 176.305 0.234 14.214 1.00 0.00 N ATOM 823 CA ASP A 54 176.312 -0.536 15.454 1.00 0.00 C ATOM 824 C ASP A 54 174.961 -0.443 16.157 1.00 0.00 C ATOM 825 O ASP A 54 174.554 -1.363 16.868 1.00 0.00 O ATOM 826 CB ASP A 54 177.421 -0.036 16.383 1.00 0.00 C ATOM 827 CG ASP A 54 178.608 -0.979 16.425 1.00 0.00 C ATOM 828 OD1 ASP A 54 179.439 -0.929 15.495 1.00 0.00 O ATOM 829 OD2 ASP A 54 178.705 -1.768 17.389 1.00 0.00 O ATOM 0 H ASP A 54 176.597 1.206 14.319 1.00 0.00 H new ATOM 0 HA ASP A 54 176.501 -1.580 15.205 1.00 0.00 H new ATOM 0 HB2 ASP A 54 177.753 0.948 16.051 1.00 0.00 H new ATOM 0 HB3 ASP A 54 177.021 0.085 17.390 1.00 0.00 H new ATOM 834 N ASP A 55 174.271 0.675 15.954 1.00 0.00 N ATOM 835 CA ASP A 55 172.965 0.894 16.568 1.00 0.00 C ATOM 836 C ASP A 55 171.879 0.042 15.906 1.00 0.00 C ATOM 837 O ASP A 55 170.723 0.066 16.330 1.00 0.00 O ATOM 838 CB ASP A 55 172.587 2.374 16.486 1.00 0.00 C ATOM 839 CG ASP A 55 173.004 3.146 17.722 1.00 0.00 C ATOM 840 OD1 ASP A 55 174.187 3.050 18.112 1.00 0.00 O ATOM 841 OD2 ASP A 55 172.148 3.849 18.300 1.00 0.00 O ATOM 0 H ASP A 55 174.595 1.445 15.368 1.00 0.00 H new ATOM 0 HA ASP A 55 173.036 0.593 17.613 1.00 0.00 H new ATOM 0 HB2 ASP A 55 173.056 2.818 15.608 1.00 0.00 H new ATOM 0 HB3 ASP A 55 171.509 2.464 16.351 1.00 0.00 H new ATOM 846 N TRP A 56 172.249 -0.707 14.867 1.00 0.00 N ATOM 847 CA TRP A 56 171.298 -1.559 14.155 1.00 0.00 C ATOM 848 C TRP A 56 170.439 -2.367 15.125 1.00 0.00 C ATOM 849 O TRP A 56 169.296 -2.704 14.817 1.00 0.00 O ATOM 850 CB TRP A 56 172.039 -2.500 13.205 1.00 0.00 C ATOM 851 CG TRP A 56 172.018 -2.032 11.784 1.00 0.00 C ATOM 852 CD1 TRP A 56 173.083 -1.936 10.937 1.00 0.00 C ATOM 853 CD2 TRP A 56 170.874 -1.592 11.044 1.00 0.00 C ATOM 854 NE1 TRP A 56 172.673 -1.458 9.716 1.00 0.00 N ATOM 855 CE2 TRP A 56 171.320 -1.241 9.756 1.00 0.00 C ATOM 856 CE3 TRP A 56 169.516 -1.461 11.346 1.00 0.00 C ATOM 857 CZ2 TRP A 56 170.454 -0.768 8.773 1.00 0.00 C ATOM 858 CZ3 TRP A 56 168.658 -0.992 10.369 1.00 0.00 C ATOM 859 CH2 TRP A 56 169.130 -0.651 9.096 1.00 0.00 C ATOM 0 H TRP A 56 173.200 -0.741 14.500 1.00 0.00 H new ATOM 0 HA TRP A 56 170.638 -0.911 13.578 1.00 0.00 H new ATOM 0 HB2 TRP A 56 173.073 -2.599 13.534 1.00 0.00 H new ATOM 0 HB3 TRP A 56 171.590 -3.492 13.262 1.00 0.00 H new ATOM 0 HD1 TRP A 56 174.100 -2.198 11.189 1.00 0.00 H new ATOM 0 HE1 TRP A 56 173.277 -1.292 8.911 1.00 0.00 H new ATOM 0 HE3 TRP A 56 169.143 -1.722 12.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 170.815 -0.503 7.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 167.606 -0.887 10.591 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.435 -0.288 8.354 1.00 0.00 H new ATOM 870 N GLU A 57 171.001 -2.679 16.289 1.00 0.00 N ATOM 871 CA GLU A 57 170.289 -3.452 17.305 1.00 0.00 C ATOM 872 C GLU A 57 169.095 -2.670 17.854 1.00 0.00 C ATOM 873 O GLU A 57 169.051 -2.332 19.037 1.00 0.00 O ATOM 874 CB GLU A 57 171.238 -3.827 18.444 1.00 0.00 C ATOM 875 CG GLU A 57 172.363 -4.755 18.017 1.00 0.00 C ATOM 876 CD GLU A 57 173.453 -4.869 19.064 1.00 0.00 C ATOM 877 OE1 GLU A 57 173.162 -5.362 20.174 1.00 0.00 O ATOM 878 OE2 GLU A 57 174.600 -4.468 18.773 1.00 0.00 O ATOM 0 H GLU A 57 171.948 -2.409 16.554 1.00 0.00 H new ATOM 0 HA GLU A 57 169.915 -4.362 16.837 1.00 0.00 H new ATOM 0 HB2 GLU A 57 171.668 -2.917 18.862 1.00 0.00 H new ATOM 0 HB3 GLU A 57 170.666 -4.305 19.240 1.00 0.00 H new ATOM 0 HG2 GLU A 57 171.955 -5.745 17.813 1.00 0.00 H new ATOM 0 HG3 GLU A 57 172.796 -4.391 17.085 1.00 0.00 H new ATOM 885 N GLU A 58 168.135 -2.383 16.982 1.00 0.00 N ATOM 886 CA GLU A 58 166.944 -1.640 17.361 1.00 0.00 C ATOM 887 C GLU A 58 165.887 -1.737 16.266 1.00 0.00 C ATOM 888 O GLU A 58 164.708 -1.961 16.542 1.00 0.00 O ATOM 889 CB GLU A 58 167.310 -0.180 17.605 1.00 0.00 C ATOM 890 CG GLU A 58 167.489 0.168 19.074 1.00 0.00 C ATOM 891 CD GLU A 58 166.361 1.026 19.612 1.00 0.00 C ATOM 892 OE1 GLU A 58 165.189 0.728 19.301 1.00 0.00 O ATOM 893 OE2 GLU A 58 166.650 1.995 20.345 1.00 0.00 O ATOM 0 H GLU A 58 168.162 -2.657 16.000 1.00 0.00 H new ATOM 0 HA GLU A 58 166.535 -2.068 18.276 1.00 0.00 H new ATOM 0 HB2 GLU A 58 168.233 0.048 17.072 1.00 0.00 H new ATOM 0 HB3 GLU A 58 166.532 0.456 17.182 1.00 0.00 H new ATOM 0 HG2 GLU A 58 167.551 -0.751 19.656 1.00 0.00 H new ATOM 0 HG3 GLU A 58 168.435 0.693 19.206 1.00 0.00 H new ATOM 900 N GLU A 59 166.322 -1.565 15.020 1.00 0.00 N ATOM 901 CA GLU A 59 165.421 -1.630 13.875 1.00 0.00 C ATOM 902 C GLU A 59 165.147 -3.076 13.473 1.00 0.00 C ATOM 903 O GLU A 59 164.040 -3.582 13.662 1.00 0.00 O ATOM 904 CB GLU A 59 166.015 -0.865 12.691 1.00 0.00 C ATOM 905 CG GLU A 59 166.469 0.542 13.041 1.00 0.00 C ATOM 906 CD GLU A 59 167.968 0.637 13.247 1.00 0.00 C ATOM 907 OE1 GLU A 59 168.475 0.027 14.212 1.00 0.00 O ATOM 908 OE2 GLU A 59 168.636 1.322 12.443 1.00 0.00 O ATOM 0 H GLU A 59 167.295 -1.379 14.779 1.00 0.00 H new ATOM 0 HA GLU A 59 164.476 -1.169 14.164 1.00 0.00 H new ATOM 0 HB2 GLU A 59 166.864 -1.424 12.297 1.00 0.00 H new ATOM 0 HB3 GLU A 59 165.272 -0.811 11.895 1.00 0.00 H new ATOM 0 HG2 GLU A 59 166.172 1.224 12.245 1.00 0.00 H new ATOM 0 HG3 GLU A 59 165.960 0.869 13.948 1.00 0.00 H new ATOM 915 N ILE A 60 166.158 -3.738 12.915 1.00 0.00 N ATOM 916 CA ILE A 60 166.019 -5.124 12.485 1.00 0.00 C ATOM 917 C ILE A 60 166.040 -6.078 13.676 1.00 0.00 C ATOM 918 O ILE A 60 165.393 -7.124 13.656 1.00 0.00 O ATOM 919 CB ILE A 60 167.136 -5.522 11.499 1.00 0.00 C ATOM 920 CG1 ILE A 60 168.510 -5.361 12.154 1.00 0.00 C ATOM 921 CG2 ILE A 60 167.046 -4.685 10.230 1.00 0.00 C ATOM 922 CD1 ILE A 60 169.662 -5.725 11.242 1.00 0.00 C ATOM 0 H ILE A 60 167.081 -3.336 12.751 1.00 0.00 H new ATOM 0 HA ILE A 60 165.056 -5.202 11.981 1.00 0.00 H new ATOM 0 HB ILE A 60 167.005 -6.570 11.230 1.00 0.00 H new ATOM 0 HG12 ILE A 60 168.629 -4.328 12.481 1.00 0.00 H new ATOM 0 HG13 ILE A 60 168.553 -5.985 13.047 1.00 0.00 H new ATOM 0 HG21 ILE A 60 167.841 -4.978 9.544 1.00 0.00 H new ATOM 0 HG22 ILE A 60 166.079 -4.847 9.755 1.00 0.00 H new ATOM 0 HG23 ILE A 60 167.154 -3.630 10.482 1.00 0.00 H new ATOM 0 HD11 ILE A 60 170.604 -5.587 11.773 1.00 0.00 H new ATOM 0 HD12 ILE A 60 169.568 -6.767 10.935 1.00 0.00 H new ATOM 0 HD13 ILE A 60 169.645 -5.084 10.361 1.00 0.00 H new ATOM 934 N GLY A 61 166.787 -5.709 14.712 1.00 0.00 N ATOM 935 CA GLY A 61 166.876 -6.544 15.897 1.00 0.00 C ATOM 936 C GLY A 61 167.801 -7.729 15.704 1.00 0.00 C ATOM 937 O GLY A 61 167.452 -8.860 16.040 1.00 0.00 O ATOM 0 H GLY A 61 167.332 -4.848 14.752 1.00 0.00 H new ATOM 0 HA2 GLY A 61 167.230 -5.943 16.735 1.00 0.00 H new ATOM 0 HA3 GLY A 61 165.881 -6.903 16.160 1.00 0.00 H new ATOM 941 N VAL A 62 168.989 -7.466 15.168 1.00 0.00 N ATOM 942 CA VAL A 62 169.981 -8.514 14.933 1.00 0.00 C ATOM 943 C VAL A 62 171.356 -7.903 14.694 1.00 0.00 C ATOM 944 O VAL A 62 171.571 -7.221 13.692 1.00 0.00 O ATOM 945 CB VAL A 62 169.629 -9.412 13.719 1.00 0.00 C ATOM 946 CG1 VAL A 62 169.861 -10.875 14.060 1.00 0.00 C ATOM 947 CG2 VAL A 62 168.196 -9.195 13.248 1.00 0.00 C ATOM 0 H VAL A 62 169.290 -6.533 14.887 1.00 0.00 H new ATOM 0 HA VAL A 62 169.984 -9.134 15.830 1.00 0.00 H new ATOM 0 HB VAL A 62 170.288 -9.129 12.898 1.00 0.00 H new ATOM 0 HG11 VAL A 62 169.610 -11.494 13.198 1.00 0.00 H new ATOM 0 HG12 VAL A 62 170.908 -11.026 14.322 1.00 0.00 H new ATOM 0 HG13 VAL A 62 169.232 -11.156 14.904 1.00 0.00 H new ATOM 0 HG21 VAL A 62 167.991 -9.843 12.396 1.00 0.00 H new ATOM 0 HG22 VAL A 62 167.507 -9.432 14.059 1.00 0.00 H new ATOM 0 HG23 VAL A 62 168.064 -8.154 12.952 1.00 0.00 H new ATOM 957 N LEU A 63 172.290 -8.141 15.613 1.00 0.00 N ATOM 958 CA LEU A 63 173.640 -7.602 15.484 1.00 0.00 C ATOM 959 C LEU A 63 174.220 -7.893 14.105 1.00 0.00 C ATOM 960 O LEU A 63 174.238 -9.039 13.656 1.00 0.00 O ATOM 961 CB LEU A 63 174.553 -8.190 16.562 1.00 0.00 C ATOM 962 CG LEU A 63 174.147 -7.868 18.003 1.00 0.00 C ATOM 963 CD1 LEU A 63 173.567 -9.098 18.685 1.00 0.00 C ATOM 964 CD2 LEU A 63 175.337 -7.332 18.787 1.00 0.00 C ATOM 0 H LEU A 63 172.137 -8.701 16.451 1.00 0.00 H new ATOM 0 HA LEU A 63 173.580 -6.521 15.612 1.00 0.00 H new ATOM 0 HB2 LEU A 63 174.580 -9.273 16.442 1.00 0.00 H new ATOM 0 HB3 LEU A 63 175.567 -7.825 16.396 1.00 0.00 H new ATOM 0 HG LEU A 63 173.377 -7.097 17.977 1.00 0.00 H new ATOM 0 HD11 LEU A 63 173.285 -8.848 19.708 1.00 0.00 H new ATOM 0 HD12 LEU A 63 172.687 -9.436 18.138 1.00 0.00 H new ATOM 0 HD13 LEU A 63 174.313 -9.892 18.698 1.00 0.00 H new ATOM 0 HD21 LEU A 63 175.029 -7.109 19.808 1.00 0.00 H new ATOM 0 HD22 LEU A 63 176.130 -8.080 18.802 1.00 0.00 H new ATOM 0 HD23 LEU A 63 175.706 -6.423 18.312 1.00 0.00 H new ATOM 976 N ILE A 64 174.693 -6.848 13.437 1.00 0.00 N ATOM 977 CA ILE A 64 175.273 -6.989 12.109 1.00 0.00 C ATOM 978 C ILE A 64 176.741 -6.578 12.108 1.00 0.00 C ATOM 979 O ILE A 64 177.115 -5.577 12.719 1.00 0.00 O ATOM 980 CB ILE A 64 174.513 -6.144 11.068 1.00 0.00 C ATOM 981 CG1 ILE A 64 173.003 -6.236 11.300 1.00 0.00 C ATOM 982 CG2 ILE A 64 174.863 -6.600 9.662 1.00 0.00 C ATOM 983 CD1 ILE A 64 172.448 -7.632 11.116 1.00 0.00 C ATOM 0 H ILE A 64 174.686 -5.893 13.795 1.00 0.00 H new ATOM 0 HA ILE A 64 175.191 -8.041 11.837 1.00 0.00 H new ATOM 0 HB ILE A 64 174.815 -5.103 11.181 1.00 0.00 H new ATOM 0 HG12 ILE A 64 172.777 -5.894 12.310 1.00 0.00 H new ATOM 0 HG13 ILE A 64 172.496 -5.558 10.613 1.00 0.00 H new ATOM 0 HG21 ILE A 64 174.319 -5.994 8.937 1.00 0.00 H new ATOM 0 HG22 ILE A 64 175.935 -6.486 9.499 1.00 0.00 H new ATOM 0 HG23 ILE A 64 174.587 -7.647 9.540 1.00 0.00 H new ATOM 0 HD11 ILE A 64 171.373 -7.623 11.296 1.00 0.00 H new ATOM 0 HD12 ILE A 64 172.643 -7.970 10.098 1.00 0.00 H new ATOM 0 HD13 ILE A 64 172.928 -8.310 11.821 1.00 0.00 H new ATOM 995 N ASP A 65 177.570 -7.355 11.419 1.00 0.00 N ATOM 996 CA ASP A 65 178.997 -7.069 11.341 1.00 0.00 C ATOM 997 C ASP A 65 179.249 -5.767 10.579 1.00 0.00 C ATOM 998 O ASP A 65 179.054 -5.706 9.366 1.00 0.00 O ATOM 999 CB ASP A 65 179.731 -8.224 10.656 1.00 0.00 C ATOM 1000 CG ASP A 65 180.404 -9.151 11.649 1.00 0.00 C ATOM 1001 OD1 ASP A 65 181.374 -8.717 12.304 1.00 0.00 O ATOM 1002 OD2 ASP A 65 179.959 -10.312 11.772 1.00 0.00 O ATOM 0 H ASP A 65 177.278 -8.187 10.907 1.00 0.00 H new ATOM 0 HA ASP A 65 179.378 -6.956 12.356 1.00 0.00 H new ATOM 0 HB2 ASP A 65 179.024 -8.794 10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 65 180.480 -7.821 9.974 1.00 0.00 H new ATOM 1007 N PRO A 66 179.685 -4.703 11.279 1.00 0.00 N ATOM 1008 CA PRO A 66 179.954 -3.407 10.649 1.00 0.00 C ATOM 1009 C PRO A 66 181.016 -3.500 9.558 1.00 0.00 C ATOM 1010 O PRO A 66 181.818 -4.433 9.535 1.00 0.00 O ATOM 1011 CB PRO A 66 180.437 -2.521 11.802 1.00 0.00 C ATOM 1012 CG PRO A 66 180.808 -3.459 12.899 1.00 0.00 C ATOM 1013 CD PRO A 66 179.943 -4.674 12.728 1.00 0.00 C ATOM 0 HA PRO A 66 179.068 -3.015 10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 66 181.291 -1.914 11.499 1.00 0.00 H new ATOM 0 HB3 PRO A 66 179.655 -1.833 12.122 1.00 0.00 H new ATOM 0 HG2 PRO A 66 181.864 -3.723 12.844 1.00 0.00 H new ATOM 0 HG3 PRO A 66 180.645 -3.000 13.874 1.00 0.00 H new ATOM 0 HD2 PRO A 66 180.449 -5.579 13.065 1.00 0.00 H new ATOM 0 HD3 PRO A 66 179.019 -4.594 13.300 1.00 0.00 H new ATOM 1021 N GLU A 67 181.002 -2.528 8.647 1.00 0.00 N ATOM 1022 CA GLU A 67 181.951 -2.482 7.534 1.00 0.00 C ATOM 1023 C GLU A 67 182.044 -3.828 6.811 1.00 0.00 C ATOM 1024 O GLU A 67 183.025 -4.101 6.118 1.00 0.00 O ATOM 1025 CB GLU A 67 183.336 -2.046 8.025 1.00 0.00 C ATOM 1026 CG GLU A 67 184.042 -3.080 8.888 1.00 0.00 C ATOM 1027 CD GLU A 67 185.520 -2.786 9.056 1.00 0.00 C ATOM 1028 OE1 GLU A 67 185.867 -1.972 9.938 1.00 0.00 O ATOM 1029 OE2 GLU A 67 186.330 -3.368 8.304 1.00 0.00 O ATOM 0 H GLU A 67 180.337 -1.754 8.658 1.00 0.00 H new ATOM 0 HA GLU A 67 181.580 -1.747 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 67 183.962 -1.821 7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.234 -1.122 8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 67 183.568 -3.114 9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 67 183.920 -4.066 8.440 1.00 0.00 H new ATOM 1036 N GLU A 68 181.021 -4.665 6.975 1.00 0.00 N ATOM 1037 CA GLU A 68 180.990 -5.974 6.339 1.00 0.00 C ATOM 1038 C GLU A 68 179.603 -6.275 5.775 1.00 0.00 C ATOM 1039 O GLU A 68 179.268 -7.430 5.513 1.00 0.00 O ATOM 1040 CB GLU A 68 181.378 -7.046 7.351 1.00 0.00 C ATOM 1041 CG GLU A 68 182.743 -6.819 7.974 1.00 0.00 C ATOM 1042 CD GLU A 68 182.882 -7.479 9.332 1.00 0.00 C ATOM 1043 OE1 GLU A 68 182.722 -8.715 9.411 1.00 0.00 O ATOM 1044 OE2 GLU A 68 183.150 -6.759 10.317 1.00 0.00 O ATOM 0 H GLU A 68 180.202 -4.456 7.545 1.00 0.00 H new ATOM 0 HA GLU A 68 181.703 -5.973 5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 68 180.627 -7.079 8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 68 181.368 -8.019 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 68 183.512 -7.206 7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 68 182.918 -5.748 8.075 1.00 0.00 H new ATOM 1051 N TYR A 69 178.800 -5.231 5.590 1.00 0.00 N ATOM 1052 CA TYR A 69 177.451 -5.385 5.060 1.00 0.00 C ATOM 1053 C TYR A 69 177.052 -4.165 4.238 1.00 0.00 C ATOM 1054 O TYR A 69 177.443 -3.040 4.552 1.00 0.00 O ATOM 1055 CB TYR A 69 176.454 -5.589 6.200 1.00 0.00 C ATOM 1056 CG TYR A 69 176.339 -7.025 6.658 1.00 0.00 C ATOM 1057 CD1 TYR A 69 177.336 -7.610 7.427 1.00 0.00 C ATOM 1058 CD2 TYR A 69 175.233 -7.794 6.322 1.00 0.00 C ATOM 1059 CE1 TYR A 69 177.235 -8.921 7.849 1.00 0.00 C ATOM 1060 CE2 TYR A 69 175.123 -9.106 6.740 1.00 0.00 C ATOM 1061 CZ TYR A 69 176.127 -9.665 7.503 1.00 0.00 C ATOM 1062 OH TYR A 69 176.022 -10.971 7.922 1.00 0.00 O ATOM 0 H TYR A 69 179.062 -4.268 5.800 1.00 0.00 H new ATOM 0 HA TYR A 69 177.438 -6.262 4.413 1.00 0.00 H new ATOM 0 HB2 TYR A 69 176.752 -4.970 7.046 1.00 0.00 H new ATOM 0 HB3 TYR A 69 175.473 -5.240 5.879 1.00 0.00 H new ATOM 0 HD1 TYR A 69 178.205 -7.030 7.700 1.00 0.00 H new ATOM 0 HD2 TYR A 69 174.446 -7.359 5.724 1.00 0.00 H new ATOM 0 HE1 TYR A 69 178.020 -9.361 8.447 1.00 0.00 H new ATOM 0 HE2 TYR A 69 174.256 -9.691 6.471 1.00 0.00 H new ATOM 0 HH TYR A 69 175.181 -11.353 7.594 1.00 0.00 H new ATOM 1072 N ALA A 70 176.275 -4.391 3.185 1.00 0.00 N ATOM 1073 CA ALA A 70 175.828 -3.306 2.322 1.00 0.00 C ATOM 1074 C ALA A 70 174.508 -2.733 2.814 1.00 0.00 C ATOM 1075 O ALA A 70 173.483 -3.415 2.797 1.00 0.00 O ATOM 1076 CB ALA A 70 175.690 -3.793 0.887 1.00 0.00 C ATOM 0 H ALA A 70 175.942 -5.315 2.909 1.00 0.00 H new ATOM 0 HA ALA A 70 176.577 -2.515 2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 70 175.355 -2.971 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 70 176.655 -4.155 0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 70 174.961 -4.602 0.846 1.00 0.00 H new ATOM 1082 N GLU A 71 174.532 -1.480 3.253 1.00 0.00 N ATOM 1083 CA GLU A 71 173.325 -0.835 3.745 1.00 0.00 C ATOM 1084 C GLU A 71 172.875 0.258 2.784 1.00 0.00 C ATOM 1085 O GLU A 71 173.453 1.344 2.746 1.00 0.00 O ATOM 1086 CB GLU A 71 173.564 -0.255 5.151 1.00 0.00 C ATOM 1087 CG GLU A 71 172.412 0.582 5.708 1.00 0.00 C ATOM 1088 CD GLU A 71 172.851 1.478 6.850 1.00 0.00 C ATOM 1089 OE1 GLU A 71 173.738 1.061 7.623 1.00 0.00 O ATOM 1090 OE2 GLU A 71 172.306 2.594 6.972 1.00 0.00 O ATOM 0 H GLU A 71 175.368 -0.896 3.278 1.00 0.00 H new ATOM 0 HA GLU A 71 172.533 -1.582 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 71 173.761 -1.078 5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 71 174.462 0.362 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 71 171.992 1.194 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 71 171.618 -0.081 6.053 1.00 0.00 H new ATOM 1097 N VAL A 72 171.842 -0.038 2.006 1.00 0.00 N ATOM 1098 CA VAL A 72 171.313 0.919 1.046 1.00 0.00 C ATOM 1099 C VAL A 72 170.153 1.696 1.653 1.00 0.00 C ATOM 1100 O VAL A 72 169.292 1.122 2.319 1.00 0.00 O ATOM 1101 CB VAL A 72 170.845 0.225 -0.249 1.00 0.00 C ATOM 1102 CG1 VAL A 72 169.664 -0.693 0.026 1.00 0.00 C ATOM 1103 CG2 VAL A 72 170.493 1.258 -1.308 1.00 0.00 C ATOM 0 H VAL A 72 171.354 -0.934 2.022 1.00 0.00 H new ATOM 0 HA VAL A 72 172.121 1.606 0.794 1.00 0.00 H new ATOM 0 HB VAL A 72 171.665 -0.387 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 72 169.351 -1.171 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 72 169.957 -1.456 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 72 168.836 -0.110 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 72 170.165 0.751 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 72 169.691 1.898 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 72 171.370 1.866 -1.529 1.00 0.00 H new ATOM 1113 N TRP A 73 170.139 3.003 1.430 1.00 0.00 N ATOM 1114 CA TRP A 73 169.084 3.848 1.971 1.00 0.00 C ATOM 1115 C TRP A 73 168.338 4.581 0.865 1.00 0.00 C ATOM 1116 O TRP A 73 168.756 5.654 0.428 1.00 0.00 O ATOM 1117 CB TRP A 73 169.673 4.852 2.965 1.00 0.00 C ATOM 1118 CG TRP A 73 169.669 4.343 4.371 1.00 0.00 C ATOM 1119 CD1 TRP A 73 170.006 3.088 4.780 1.00 0.00 C ATOM 1120 CD2 TRP A 73 169.306 5.068 5.551 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.860 2.980 6.141 1.00 0.00 N ATOM 1122 CE2 TRP A 73 169.434 4.183 6.638 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.883 6.377 5.795 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 169.152 4.563 7.945 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.605 6.755 7.095 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.739 5.851 8.156 1.00 0.00 C ATOM 0 H TRP A 73 170.842 3.499 0.882 1.00 0.00 H new ATOM 0 HA TRP A 73 168.371 3.206 2.488 1.00 0.00 H new ATOM 0 HB2 TRP A 73 170.696 5.090 2.672 1.00 0.00 H new ATOM 0 HB3 TRP A 73 169.104 5.780 2.918 1.00 0.00 H new ATOM 0 HD1 TRP A 73 170.339 2.294 4.129 1.00 0.00 H new ATOM 0 HE1 TRP A 73 170.040 2.141 6.692 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.775 7.081 4.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 169.255 3.867 8.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 168.279 7.765 7.296 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.512 6.176 9.161 1.00 0.00 H new ATOM 1137 N VAL A 74 167.230 3.998 0.412 1.00 0.00 N ATOM 1138 CA VAL A 74 166.432 4.606 -0.642 1.00 0.00 C ATOM 1139 C VAL A 74 165.246 5.371 -0.060 1.00 0.00 C ATOM 1140 O VAL A 74 164.282 4.778 0.425 1.00 0.00 O ATOM 1141 CB VAL A 74 165.916 3.556 -1.640 1.00 0.00 C ATOM 1142 CG1 VAL A 74 165.053 4.217 -2.701 1.00 0.00 C ATOM 1143 CG2 VAL A 74 167.078 2.806 -2.272 1.00 0.00 C ATOM 0 H VAL A 74 166.868 3.109 0.759 1.00 0.00 H new ATOM 0 HA VAL A 74 167.085 5.300 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 74 165.302 2.834 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.695 3.462 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 74 164.202 4.705 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.643 4.959 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 74 166.695 2.067 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.721 3.510 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 74 167.652 2.303 -1.494 1.00 0.00 H new ATOM 1153 N GLY A 75 165.349 6.691 -0.092 1.00 0.00 N ATOM 1154 CA GLY A 75 164.300 7.531 0.458 1.00 0.00 C ATOM 1155 C GLY A 75 163.872 8.660 -0.458 1.00 0.00 C ATOM 1156 O GLY A 75 163.721 8.472 -1.665 1.00 0.00 O ATOM 0 H GLY A 75 166.140 7.198 -0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 75 163.432 6.911 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 75 164.644 7.953 1.402 1.00 0.00 H new ATOM 1160 N LEU A 76 163.681 9.838 0.131 1.00 0.00 N ATOM 1161 CA LEU A 76 163.265 11.025 -0.621 1.00 0.00 C ATOM 1162 C LEU A 76 164.021 12.256 -0.128 1.00 0.00 C ATOM 1163 O LEU A 76 163.829 12.701 1.004 1.00 0.00 O ATOM 1164 CB LEU A 76 161.744 11.260 -0.501 1.00 0.00 C ATOM 1165 CG LEU A 76 160.959 11.158 -1.810 1.00 0.00 C ATOM 1166 CD1 LEU A 76 161.181 9.803 -2.466 1.00 0.00 C ATOM 1167 CD2 LEU A 76 159.476 11.395 -1.558 1.00 0.00 C ATOM 0 H LEU A 76 163.808 9.999 1.130 1.00 0.00 H new ATOM 0 HA LEU A 76 163.502 10.854 -1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.336 10.536 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.579 12.249 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 76 161.322 11.928 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 76 160.614 9.751 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 76 162.242 9.672 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.847 9.014 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 76 158.930 11.319 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 76 159.101 10.646 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 76 159.333 12.389 -1.135 1.00 0.00 H new ATOM 1179 N VAL A 77 164.882 12.802 -0.981 1.00 0.00 N ATOM 1180 CA VAL A 77 165.666 13.980 -0.626 1.00 0.00 C ATOM 1181 C VAL A 77 165.056 15.247 -1.213 1.00 0.00 C ATOM 1182 O VAL A 77 164.041 15.198 -1.906 1.00 0.00 O ATOM 1183 CB VAL A 77 167.122 13.859 -1.117 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.870 12.798 -0.326 1.00 0.00 C ATOM 1185 CG2 VAL A 77 167.160 13.551 -2.606 1.00 0.00 C ATOM 0 H VAL A 77 165.054 12.448 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 77 165.658 14.043 0.462 1.00 0.00 H new ATOM 0 HB VAL A 77 167.619 14.815 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.895 12.729 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 77 167.876 13.068 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 77 167.375 11.835 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 77 168.196 13.469 -2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 77 166.644 12.610 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 77 166.667 14.353 -3.156 1.00 0.00 H new ATOM 1195 N ASN A 78 165.688 16.383 -0.934 1.00 0.00 N ATOM 1196 CA ASN A 78 165.213 17.665 -1.438 1.00 0.00 C ATOM 1197 C ASN A 78 165.912 18.018 -2.747 1.00 0.00 C ATOM 1198 O ASN A 78 166.553 17.169 -3.366 1.00 0.00 O ATOM 1199 CB ASN A 78 165.452 18.765 -0.402 1.00 0.00 C ATOM 1200 CG ASN A 78 165.015 18.354 0.990 1.00 0.00 C ATOM 1201 OD1 ASN A 78 163.851 18.024 1.216 1.00 0.00 O ATOM 1202 ND2 ASN A 78 165.950 18.371 1.933 1.00 0.00 N ATOM 0 H ASN A 78 166.530 16.441 -0.362 1.00 0.00 H new ATOM 0 HA ASN A 78 164.142 17.585 -1.626 1.00 0.00 H new ATOM 0 HB2 ASN A 78 166.511 19.021 -0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 78 164.911 19.664 -0.699 1.00 0.00 H new ATOM 0 HD21 ASN A 78 165.715 18.104 2.889 1.00 0.00 H new ATOM 0 HD22 ASN A 78 166.903 18.651 1.701 1.00 0.00 H new ATOM 1209 N GLU A 79 165.786 19.273 -3.163 1.00 0.00 N ATOM 1210 CA GLU A 79 166.410 19.731 -4.397 1.00 0.00 C ATOM 1211 C GLU A 79 167.930 19.639 -4.302 1.00 0.00 C ATOM 1212 O GLU A 79 168.613 19.422 -5.303 1.00 0.00 O ATOM 1213 CB GLU A 79 165.991 21.171 -4.700 1.00 0.00 C ATOM 1214 CG GLU A 79 166.171 22.117 -3.524 1.00 0.00 C ATOM 1215 CD GLU A 79 167.257 23.148 -3.763 1.00 0.00 C ATOM 1216 OE1 GLU A 79 168.426 22.748 -3.946 1.00 0.00 O ATOM 1217 OE2 GLU A 79 166.938 24.356 -3.770 1.00 0.00 O ATOM 0 H GLU A 79 165.258 19.990 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 79 166.075 19.085 -5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 79 166.573 21.540 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 79 164.945 21.180 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 79 165.228 22.627 -3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 79 166.414 21.539 -2.632 1.00 0.00 H new ATOM 1224 N GLN A 80 168.451 19.809 -3.092 1.00 0.00 N ATOM 1225 CA GLN A 80 169.892 19.748 -2.865 1.00 0.00 C ATOM 1226 C GLN A 80 170.404 18.309 -2.903 1.00 0.00 C ATOM 1227 O GLN A 80 171.071 17.909 -3.858 1.00 0.00 O ATOM 1228 CB GLN A 80 170.264 20.407 -1.529 1.00 0.00 C ATOM 1229 CG GLN A 80 169.196 20.295 -0.450 1.00 0.00 C ATOM 1230 CD GLN A 80 169.785 20.217 0.944 1.00 0.00 C ATOM 1231 OE1 GLN A 80 170.902 19.735 1.132 1.00 0.00 O ATOM 1232 NE2 GLN A 80 169.034 20.692 1.931 1.00 0.00 N ATOM 0 H GLN A 80 167.899 19.990 -2.254 1.00 0.00 H new ATOM 0 HA GLN A 80 170.372 20.300 -3.673 1.00 0.00 H new ATOM 0 HB2 GLN A 80 171.184 19.955 -1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 80 170.475 21.462 -1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 80 168.530 21.156 -0.512 1.00 0.00 H new ATOM 0 HG3 GLN A 80 168.589 19.409 -0.635 1.00 0.00 H new ATOM 0 HE21 GLN A 80 168.114 21.083 1.729 1.00 0.00 H new ATOM 0 HE22 GLN A 80 169.378 20.666 2.891 1.00 0.00 H new ATOM 1241 N ASP A 81 170.091 17.532 -1.864 1.00 0.00 N ATOM 1242 CA ASP A 81 170.524 16.134 -1.787 1.00 0.00 C ATOM 1243 C ASP A 81 170.339 15.569 -0.378 1.00 0.00 C ATOM 1244 O ASP A 81 170.189 14.360 -0.202 1.00 0.00 O ATOM 1245 CB ASP A 81 171.993 16.000 -2.204 1.00 0.00 C ATOM 1246 CG ASP A 81 172.154 15.304 -3.542 1.00 0.00 C ATOM 1247 OD1 ASP A 81 171.286 15.497 -4.420 1.00 0.00 O ATOM 1248 OD2 ASP A 81 173.148 14.568 -3.713 1.00 0.00 O ATOM 0 H ASP A 81 169.540 17.846 -1.065 1.00 0.00 H new ATOM 0 HA ASP A 81 169.900 15.562 -2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 81 172.445 16.991 -2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 81 172.535 15.443 -1.440 1.00 0.00 H new ATOM 1253 N GLU A 82 170.362 16.448 0.623 1.00 0.00 N ATOM 1254 CA GLU A 82 170.209 16.039 2.020 1.00 0.00 C ATOM 1255 C GLU A 82 169.090 15.012 2.188 1.00 0.00 C ATOM 1256 O GLU A 82 168.007 15.157 1.621 1.00 0.00 O ATOM 1257 CB GLU A 82 169.934 17.261 2.900 1.00 0.00 C ATOM 1258 CG GLU A 82 171.044 17.555 3.897 1.00 0.00 C ATOM 1259 CD GLU A 82 171.914 18.723 3.476 1.00 0.00 C ATOM 1260 OE1 GLU A 82 172.823 18.516 2.644 1.00 0.00 O ATOM 1261 OE2 GLU A 82 171.686 19.844 3.977 1.00 0.00 O ATOM 0 H GLU A 82 170.486 17.452 0.492 1.00 0.00 H new ATOM 0 HA GLU A 82 171.142 15.570 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 82 169.790 18.133 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 82 169.002 17.105 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 82 170.605 17.767 4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 82 171.666 16.668 4.014 1.00 0.00 H new ATOM 1268 N MET A 83 169.363 13.975 2.976 1.00 0.00 N ATOM 1269 CA MET A 83 168.387 12.920 3.229 1.00 0.00 C ATOM 1270 C MET A 83 168.062 12.833 4.718 1.00 0.00 C ATOM 1271 O MET A 83 168.953 12.659 5.549 1.00 0.00 O ATOM 1272 CB MET A 83 168.921 11.574 2.724 1.00 0.00 C ATOM 1273 CG MET A 83 168.012 10.390 3.030 1.00 0.00 C ATOM 1274 SD MET A 83 166.884 10.006 1.675 1.00 0.00 S ATOM 1275 CE MET A 83 167.737 8.638 0.893 1.00 0.00 C ATOM 0 H MET A 83 170.256 13.843 3.452 1.00 0.00 H new ATOM 0 HA MET A 83 167.471 13.161 2.690 1.00 0.00 H new ATOM 0 HB2 MET A 83 169.069 11.635 1.646 1.00 0.00 H new ATOM 0 HB3 MET A 83 169.899 11.393 3.170 1.00 0.00 H new ATOM 0 HG2 MET A 83 168.624 9.514 3.246 1.00 0.00 H new ATOM 0 HG3 MET A 83 167.434 10.605 3.929 1.00 0.00 H new ATOM 0 HE1 MET A 83 167.526 8.641 -0.176 1.00 0.00 H new ATOM 0 HE2 MET A 83 168.811 8.740 1.051 1.00 0.00 H new ATOM 0 HE3 MET A 83 167.394 7.699 1.328 1.00 0.00 H new ATOM 1285 N ASP A 84 166.779 12.951 5.046 1.00 0.00 N ATOM 1286 CA ASP A 84 166.334 12.881 6.435 1.00 0.00 C ATOM 1287 C ASP A 84 164.975 12.192 6.539 1.00 0.00 C ATOM 1288 O ASP A 84 164.250 12.371 7.517 1.00 0.00 O ATOM 1289 CB ASP A 84 166.258 14.283 7.047 1.00 0.00 C ATOM 1290 CG ASP A 84 166.382 14.260 8.558 1.00 0.00 C ATOM 1291 OD1 ASP A 84 167.366 13.683 9.065 1.00 0.00 O ATOM 1292 OD2 ASP A 84 165.494 14.821 9.235 1.00 0.00 O ATOM 0 H ASP A 84 166.029 13.095 4.370 1.00 0.00 H new ATOM 0 HA ASP A 84 167.064 12.292 6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 84 167.051 14.903 6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 84 165.312 14.747 6.770 1.00 0.00 H new ATOM 1297 N ASP A 85 164.638 11.405 5.521 1.00 0.00 N ATOM 1298 CA ASP A 85 163.372 10.687 5.489 1.00 0.00 C ATOM 1299 C ASP A 85 163.450 9.530 4.501 1.00 0.00 C ATOM 1300 O ASP A 85 163.149 9.687 3.316 1.00 0.00 O ATOM 1301 CB ASP A 85 162.231 11.633 5.104 1.00 0.00 C ATOM 1302 CG ASP A 85 161.725 12.437 6.286 1.00 0.00 C ATOM 1303 OD1 ASP A 85 161.099 11.840 7.187 1.00 0.00 O ATOM 1304 OD2 ASP A 85 161.954 13.665 6.311 1.00 0.00 O ATOM 0 H ASP A 85 165.229 11.249 4.704 1.00 0.00 H new ATOM 0 HA ASP A 85 163.173 10.289 6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 85 162.574 12.314 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 85 161.409 11.054 4.683 1.00 0.00 H new ATOM 1309 N VAL A 86 163.869 8.370 4.994 1.00 0.00 N ATOM 1310 CA VAL A 86 164.001 7.188 4.154 1.00 0.00 C ATOM 1311 C VAL A 86 162.709 6.382 4.121 1.00 0.00 C ATOM 1312 O VAL A 86 161.945 6.368 5.085 1.00 0.00 O ATOM 1313 CB VAL A 86 165.146 6.279 4.639 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.942 5.890 6.093 1.00 0.00 C ATOM 1315 CG2 VAL A 86 165.262 5.046 3.756 1.00 0.00 C ATOM 0 H VAL A 86 164.123 8.224 5.971 1.00 0.00 H new ATOM 0 HA VAL A 86 164.227 7.543 3.149 1.00 0.00 H new ATOM 0 HB VAL A 86 166.081 6.835 4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.761 5.248 6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.919 6.788 6.710 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.998 5.354 6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 86 166.076 4.417 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 86 164.328 4.485 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 86 165.465 5.351 2.730 1.00 0.00 H new ATOM 1325 N PHE A 87 162.480 5.707 3.001 1.00 0.00 N ATOM 1326 CA PHE A 87 161.290 4.889 2.829 1.00 0.00 C ATOM 1327 C PHE A 87 161.601 3.422 3.096 1.00 0.00 C ATOM 1328 O PHE A 87 160.831 2.724 3.754 1.00 0.00 O ATOM 1329 CB PHE A 87 160.739 5.049 1.413 1.00 0.00 C ATOM 1330 CG PHE A 87 159.880 6.265 1.234 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.697 6.401 1.940 1.00 0.00 C ATOM 1332 CD2 PHE A 87 160.254 7.271 0.359 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.902 7.518 1.777 1.00 0.00 C ATOM 1334 CE2 PHE A 87 159.463 8.391 0.191 1.00 0.00 C ATOM 1335 CZ PHE A 87 158.285 8.515 0.901 1.00 0.00 C ATOM 0 H PHE A 87 163.107 5.712 2.196 1.00 0.00 H new ATOM 0 HA PHE A 87 160.541 5.224 3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.572 5.097 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.158 4.163 1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.392 5.625 2.626 1.00 0.00 H new ATOM 0 HD2 PHE A 87 161.174 7.179 -0.198 1.00 0.00 H new ATOM 0 HE1 PHE A 87 156.981 7.612 2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 87 159.765 9.169 -0.495 1.00 0.00 H new ATOM 0 HZ PHE A 87 157.665 9.390 0.772 1.00 0.00 H new ATOM 1345 N ALA A 88 162.730 2.957 2.568 1.00 0.00 N ATOM 1346 CA ALA A 88 163.131 1.566 2.739 1.00 0.00 C ATOM 1347 C ALA A 88 164.646 1.405 2.702 1.00 0.00 C ATOM 1348 O ALA A 88 165.290 1.760 1.714 1.00 0.00 O ATOM 1349 CB ALA A 88 162.496 0.712 1.655 1.00 0.00 C ATOM 0 H ALA A 88 163.380 3.521 2.021 1.00 0.00 H new ATOM 0 HA ALA A 88 162.786 1.238 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 88 162.798 -0.327 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.411 0.785 1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 88 162.823 1.064 0.676 1.00 0.00 H new ATOM 1355 N LYS A 89 165.215 0.849 3.771 1.00 0.00 N ATOM 1356 CA LYS A 89 166.656 0.622 3.839 1.00 0.00 C ATOM 1357 C LYS A 89 166.934 -0.879 3.854 1.00 0.00 C ATOM 1358 O LYS A 89 166.288 -1.619 4.591 1.00 0.00 O ATOM 1359 CB LYS A 89 167.250 1.263 5.099 1.00 0.00 C ATOM 1360 CG LYS A 89 166.498 2.492 5.591 1.00 0.00 C ATOM 1361 CD LYS A 89 165.300 2.110 6.447 1.00 0.00 C ATOM 1362 CE LYS A 89 165.516 2.469 7.909 1.00 0.00 C ATOM 1363 NZ LYS A 89 164.651 3.604 8.336 1.00 0.00 N ATOM 0 H LYS A 89 164.701 0.549 4.599 1.00 0.00 H new ATOM 0 HA LYS A 89 167.121 1.078 2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 89 167.269 0.520 5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 89 168.285 1.541 4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 89 167.172 3.124 6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 89 166.163 3.080 4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 89 164.410 2.618 6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 89 165.116 1.039 6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 89 165.307 1.599 8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 89 166.562 2.730 8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 165.235 4.455 8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 163.933 3.787 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 164.181 3.364 9.232 1.00 0.00 H new ATOM 1377 N PHE A 90 167.876 -1.335 3.032 1.00 0.00 N ATOM 1378 CA PHE A 90 168.187 -2.762 2.967 1.00 0.00 C ATOM 1379 C PHE A 90 169.595 -3.076 3.472 1.00 0.00 C ATOM 1380 O PHE A 90 170.485 -2.228 3.440 1.00 0.00 O ATOM 1381 CB PHE A 90 168.030 -3.273 1.533 1.00 0.00 C ATOM 1382 CG PHE A 90 166.692 -2.961 0.924 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.308 -1.649 0.692 1.00 0.00 C ATOM 1384 CD2 PHE A 90 165.817 -3.981 0.583 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.079 -1.361 0.131 1.00 0.00 C ATOM 1386 CE2 PHE A 90 164.586 -3.698 0.022 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.216 -2.387 -0.204 1.00 0.00 C ATOM 0 H PHE A 90 168.431 -0.747 2.410 1.00 0.00 H new ATOM 0 HA PHE A 90 167.481 -3.271 3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 90 168.812 -2.835 0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 90 168.181 -4.352 1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 90 166.978 -0.843 0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 90 166.101 -5.008 0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 90 164.793 -0.335 -0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 90 163.914 -4.502 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.254 -2.164 -0.642 1.00 0.00 H new ATOM 1397 N LEU A 91 169.783 -4.319 3.921 1.00 0.00 N ATOM 1398 CA LEU A 91 171.076 -4.786 4.419 1.00 0.00 C ATOM 1399 C LEU A 91 171.399 -6.160 3.844 1.00 0.00 C ATOM 1400 O LEU A 91 170.755 -7.147 4.190 1.00 0.00 O ATOM 1401 CB LEU A 91 171.079 -4.880 5.946 1.00 0.00 C ATOM 1402 CG LEU A 91 170.825 -3.574 6.696 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.468 -3.856 8.148 1.00 0.00 C ATOM 1404 CD2 LEU A 91 172.047 -2.677 6.615 1.00 0.00 C ATOM 0 H LEU A 91 169.048 -5.025 3.949 1.00 0.00 H new ATOM 0 HA LEU A 91 171.829 -4.063 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 91 170.321 -5.603 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 91 172.043 -5.277 6.264 1.00 0.00 H new ATOM 0 HG LEU A 91 169.985 -3.061 6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 91 170.290 -2.915 8.668 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.568 -4.469 8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 91 171.290 -4.386 8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 91 171.854 -1.749 7.153 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.901 -3.185 7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 91 172.265 -2.452 5.571 1.00 0.00 H new ATOM 1416 N ILE A 92 172.386 -6.225 2.962 1.00 0.00 N ATOM 1417 CA ILE A 92 172.767 -7.493 2.344 1.00 0.00 C ATOM 1418 C ILE A 92 174.193 -7.892 2.714 1.00 0.00 C ATOM 1419 O ILE A 92 175.111 -7.073 2.677 1.00 0.00 O ATOM 1420 CB ILE A 92 172.629 -7.450 0.802 1.00 0.00 C ATOM 1421 CG1 ILE A 92 172.736 -6.008 0.277 1.00 0.00 C ATOM 1422 CG2 ILE A 92 171.307 -8.082 0.385 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.061 -5.791 -1.059 1.00 0.00 C ATOM 0 H ILE A 92 172.936 -5.422 2.658 1.00 0.00 H new ATOM 0 HA ILE A 92 172.077 -8.242 2.734 1.00 0.00 H new ATOM 0 HB ILE A 92 173.447 -8.021 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 92 172.296 -5.331 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 92 173.789 -5.741 0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 92 171.215 -8.049 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 92 171.277 -9.119 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 92 170.482 -7.531 0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 92 172.180 -4.751 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 92 172.516 -6.441 -1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.000 -6.025 -0.973 1.00 0.00 H new ATOM 1435 N SER A 93 174.363 -9.162 3.077 1.00 0.00 N ATOM 1436 CA SER A 93 175.670 -9.686 3.464 1.00 0.00 C ATOM 1437 C SER A 93 176.586 -9.852 2.255 1.00 0.00 C ATOM 1438 O SER A 93 176.510 -10.853 1.542 1.00 0.00 O ATOM 1439 CB SER A 93 175.510 -11.029 4.178 1.00 0.00 C ATOM 1440 OG SER A 93 174.229 -11.142 4.775 1.00 0.00 O ATOM 0 H SER A 93 173.609 -9.848 3.111 1.00 0.00 H new ATOM 0 HA SER A 93 176.128 -8.965 4.141 1.00 0.00 H new ATOM 0 HB2 SER A 93 175.656 -11.842 3.467 1.00 0.00 H new ATOM 0 HB3 SER A 93 176.281 -11.132 4.942 1.00 0.00 H new ATOM 0 HG SER A 93 174.153 -12.010 5.224 1.00 0.00 H new ATOM 1446 N HIS A 94 177.445 -8.858 2.030 1.00 0.00 N ATOM 1447 CA HIS A 94 178.386 -8.871 0.905 1.00 0.00 C ATOM 1448 C HIS A 94 178.935 -10.273 0.635 1.00 0.00 C ATOM 1449 O HIS A 94 178.983 -10.720 -0.511 1.00 0.00 O ATOM 1450 CB HIS A 94 179.550 -7.918 1.181 1.00 0.00 C ATOM 1451 CG HIS A 94 179.143 -6.479 1.272 1.00 0.00 C ATOM 1452 ND1 HIS A 94 178.847 -5.715 0.166 1.00 0.00 N ATOM 1453 CD2 HIS A 94 178.998 -5.659 2.341 1.00 0.00 C ATOM 1454 CE1 HIS A 94 178.542 -4.488 0.548 1.00 0.00 C ATOM 1455 NE2 HIS A 94 178.626 -4.427 1.863 1.00 0.00 N ATOM 0 H HIS A 94 177.510 -8.026 2.616 1.00 0.00 H new ATOM 0 HA HIS A 94 177.838 -8.545 0.021 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.033 -8.209 2.114 1.00 0.00 H new ATOM 0 HB3 HIS A 94 180.292 -8.027 0.390 1.00 0.00 H new ATOM 0 HD2 HIS A 94 179.147 -5.925 3.377 1.00 0.00 H new ATOM 0 HE1 HIS A 94 178.270 -3.673 -0.106 1.00 0.00 H new ATOM 0 HE2 HIS A 94 178.444 -3.600 2.432 1.00 0.00 H new ATOM 1464 N ARG A 95 179.354 -10.958 1.696 1.00 0.00 N ATOM 1465 CA ARG A 95 179.907 -12.306 1.576 1.00 0.00 C ATOM 1466 C ARG A 95 179.044 -13.184 0.674 1.00 0.00 C ATOM 1467 O ARG A 95 177.816 -13.153 0.747 1.00 0.00 O ATOM 1468 CB ARG A 95 180.038 -12.951 2.957 1.00 0.00 C ATOM 1469 CG ARG A 95 178.828 -12.727 3.850 1.00 0.00 C ATOM 1470 CD ARG A 95 179.112 -11.692 4.928 1.00 0.00 C ATOM 1471 NE ARG A 95 179.428 -12.314 6.212 1.00 0.00 N ATOM 1472 CZ ARG A 95 179.815 -11.634 7.289 1.00 0.00 C ATOM 1473 NH1 ARG A 95 179.933 -10.313 7.242 1.00 0.00 N ATOM 1474 NH2 ARG A 95 180.083 -12.278 8.417 1.00 0.00 N ATOM 0 H ARG A 95 179.321 -10.601 2.651 1.00 0.00 H new ATOM 0 HA ARG A 95 180.895 -12.220 1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 95 180.196 -14.023 2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 95 180.924 -12.553 3.452 1.00 0.00 H new ATOM 0 HG2 ARG A 95 177.983 -12.400 3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 95 178.540 -13.669 4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 95 179.945 -11.062 4.615 1.00 0.00 H new ATOM 0 HD3 ARG A 95 178.245 -11.041 5.044 1.00 0.00 H new ATOM 0 HE ARG A 95 179.347 -13.328 6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 95 179.727 -9.813 6.377 1.00 0.00 H new ATOM 0 HH12 ARG A 95 180.230 -9.798 8.071 1.00 0.00 H new ATOM 0 HH21 ARG A 95 179.993 -13.293 8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 95 180.380 -11.758 9.243 1.00 0.00 H new ATOM 1488 N GLU A 96 179.701 -13.966 -0.177 1.00 0.00 N ATOM 1489 CA GLU A 96 179.004 -14.855 -1.098 1.00 0.00 C ATOM 1490 C GLU A 96 178.082 -15.807 -0.343 1.00 0.00 C ATOM 1491 O GLU A 96 176.920 -15.984 -0.710 1.00 0.00 O ATOM 1492 CB GLU A 96 180.015 -15.649 -1.926 1.00 0.00 C ATOM 1493 CG GLU A 96 179.640 -15.765 -3.395 1.00 0.00 C ATOM 1494 CD GLU A 96 179.942 -17.137 -3.967 1.00 0.00 C ATOM 1495 OE1 GLU A 96 179.215 -18.094 -3.628 1.00 0.00 O ATOM 1496 OE2 GLU A 96 180.905 -17.253 -4.754 1.00 0.00 O ATOM 0 H GLU A 96 180.718 -14.001 -0.247 1.00 0.00 H new ATOM 0 HA GLU A 96 178.394 -14.247 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 96 180.992 -15.173 -1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 96 180.112 -16.649 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 96 178.578 -15.552 -3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 96 180.182 -15.010 -3.965 1.00 0.00 H new ATOM 1503 N GLU A 97 178.605 -16.413 0.718 1.00 0.00 N ATOM 1504 CA GLU A 97 177.826 -17.340 1.528 1.00 0.00 C ATOM 1505 C GLU A 97 176.713 -16.601 2.262 1.00 0.00 C ATOM 1506 O GLU A 97 176.505 -15.408 2.043 1.00 0.00 O ATOM 1507 CB GLU A 97 178.730 -18.057 2.533 1.00 0.00 C ATOM 1508 CG GLU A 97 179.430 -17.116 3.499 1.00 0.00 C ATOM 1509 CD GLU A 97 180.614 -17.764 4.188 1.00 0.00 C ATOM 1510 OE1 GLU A 97 180.398 -18.705 4.980 1.00 0.00 O ATOM 1511 OE2 GLU A 97 181.758 -17.329 3.937 1.00 0.00 O ATOM 0 H GLU A 97 179.565 -16.278 1.036 1.00 0.00 H new ATOM 0 HA GLU A 97 177.377 -18.081 0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 97 178.133 -18.770 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 97 179.481 -18.631 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 97 179.768 -16.232 2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 97 178.717 -16.777 4.251 1.00 0.00 H new ATOM 1518 N ASP A 98 176.004 -17.310 3.135 1.00 0.00 N ATOM 1519 CA ASP A 98 174.915 -16.713 3.901 1.00 0.00 C ATOM 1520 C ASP A 98 173.825 -16.172 2.979 1.00 0.00 C ATOM 1521 O ASP A 98 172.796 -16.816 2.775 1.00 0.00 O ATOM 1522 CB ASP A 98 175.450 -15.594 4.797 1.00 0.00 C ATOM 1523 CG ASP A 98 175.834 -16.091 6.177 1.00 0.00 C ATOM 1524 OD1 ASP A 98 174.931 -16.243 7.026 1.00 0.00 O ATOM 1525 OD2 ASP A 98 177.039 -16.329 6.408 1.00 0.00 O ATOM 0 H ASP A 98 176.164 -18.298 3.330 1.00 0.00 H new ATOM 0 HA ASP A 98 174.476 -17.491 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 98 176.319 -15.138 4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 98 174.693 -14.815 4.892 1.00 0.00 H new ATOM 1530 N ARG A 99 174.054 -14.982 2.430 1.00 0.00 N ATOM 1531 CA ARG A 99 173.090 -14.349 1.535 1.00 0.00 C ATOM 1532 C ARG A 99 171.849 -13.911 2.309 1.00 0.00 C ATOM 1533 O ARG A 99 170.741 -14.382 2.052 1.00 0.00 O ATOM 1534 CB ARG A 99 172.697 -15.309 0.400 1.00 0.00 C ATOM 1535 CG ARG A 99 172.676 -14.677 -0.991 1.00 0.00 C ATOM 1536 CD ARG A 99 172.191 -13.232 -0.962 1.00 0.00 C ATOM 1537 NE ARG A 99 171.227 -12.957 -2.025 1.00 0.00 N ATOM 1538 CZ ARG A 99 169.929 -13.241 -1.942 1.00 0.00 C ATOM 1539 NH1 ARG A 99 169.436 -13.813 -0.851 1.00 0.00 N ATOM 1540 NH2 ARG A 99 169.121 -12.952 -2.952 1.00 0.00 N ATOM 0 H ARG A 99 174.901 -14.436 2.590 1.00 0.00 H new ATOM 0 HA ARG A 99 173.557 -13.466 1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 99 173.394 -16.147 0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 99 171.709 -15.718 0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 99 173.678 -14.713 -1.419 1.00 0.00 H new ATOM 0 HG3 ARG A 99 172.029 -15.262 -1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 99 171.734 -13.022 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 99 173.044 -12.561 -1.064 1.00 0.00 H new ATOM 0 HE ARG A 99 171.569 -12.522 -2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 99 170.052 -14.038 -0.070 1.00 0.00 H new ATOM 0 HH12 ARG A 99 168.441 -14.028 -0.793 1.00 0.00 H new ATOM 0 HH21 ARG A 99 169.494 -12.512 -3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 99 168.127 -13.170 -2.888 1.00 0.00 H new ATOM 1554 N GLU A 100 172.046 -13.005 3.261 1.00 0.00 N ATOM 1555 CA GLU A 100 170.948 -12.501 4.075 1.00 0.00 C ATOM 1556 C GLU A 100 170.531 -11.107 3.622 1.00 0.00 C ATOM 1557 O GLU A 100 171.348 -10.338 3.111 1.00 0.00 O ATOM 1558 CB GLU A 100 171.350 -12.472 5.551 1.00 0.00 C ATOM 1559 CG GLU A 100 170.179 -12.253 6.495 1.00 0.00 C ATOM 1560 CD GLU A 100 169.064 -13.258 6.285 1.00 0.00 C ATOM 1561 OE1 GLU A 100 169.300 -14.463 6.514 1.00 0.00 O ATOM 1562 OE2 GLU A 100 167.954 -12.841 5.891 1.00 0.00 O ATOM 0 H GLU A 100 172.957 -12.605 3.487 1.00 0.00 H new ATOM 0 HA GLU A 100 170.099 -13.173 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 100 171.840 -13.412 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 100 172.083 -11.680 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 100 170.531 -12.316 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 100 169.787 -11.246 6.353 1.00 0.00 H new ATOM 1569 N PHE A 101 169.256 -10.785 3.817 1.00 0.00 N ATOM 1570 CA PHE A 101 168.732 -9.482 3.432 1.00 0.00 C ATOM 1571 C PHE A 101 167.634 -9.026 4.391 1.00 0.00 C ATOM 1572 O PHE A 101 166.803 -9.822 4.827 1.00 0.00 O ATOM 1573 CB PHE A 101 168.205 -9.520 1.993 1.00 0.00 C ATOM 1574 CG PHE A 101 166.890 -10.233 1.844 1.00 0.00 C ATOM 1575 CD1 PHE A 101 166.807 -11.605 2.019 1.00 0.00 C ATOM 1576 CD2 PHE A 101 165.738 -9.530 1.530 1.00 0.00 C ATOM 1577 CE1 PHE A 101 165.599 -12.263 1.882 1.00 0.00 C ATOM 1578 CE2 PHE A 101 164.528 -10.181 1.393 1.00 0.00 C ATOM 1579 CZ PHE A 101 164.458 -11.550 1.569 1.00 0.00 C ATOM 0 H PHE A 101 168.568 -11.409 4.239 1.00 0.00 H new ATOM 0 HA PHE A 101 169.548 -8.761 3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 101 168.096 -8.498 1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 101 168.945 -10.007 1.358 1.00 0.00 H new ATOM 0 HD1 PHE A 101 167.696 -12.167 2.265 1.00 0.00 H new ATOM 0 HD2 PHE A 101 165.787 -8.460 1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 101 165.547 -13.333 2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 101 163.637 -9.621 1.149 1.00 0.00 H new ATOM 0 HZ PHE A 101 163.513 -12.061 1.462 1.00 0.00 H new ATOM 1589 N HIS A 102 167.637 -7.733 4.703 1.00 0.00 N ATOM 1590 CA HIS A 102 166.642 -7.152 5.598 1.00 0.00 C ATOM 1591 C HIS A 102 166.187 -5.806 5.049 1.00 0.00 C ATOM 1592 O HIS A 102 166.908 -5.176 4.279 1.00 0.00 O ATOM 1593 CB HIS A 102 167.180 -6.953 7.030 1.00 0.00 C ATOM 1594 CG HIS A 102 168.441 -7.698 7.388 1.00 0.00 C ATOM 1595 ND1 HIS A 102 168.799 -7.946 8.698 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.443 -8.217 6.631 1.00 0.00 C ATOM 1597 CE1 HIS A 102 169.958 -8.576 8.728 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.368 -8.755 7.490 1.00 0.00 N ATOM 0 H HIS A 102 168.321 -7.065 4.347 1.00 0.00 H new ATOM 0 HA HIS A 102 165.808 -7.852 5.650 1.00 0.00 H new ATOM 0 HB2 HIS A 102 167.359 -5.889 7.182 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.399 -7.248 7.731 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.501 -8.208 5.553 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.482 -8.892 9.618 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.234 -9.219 7.214 1.00 0.00 H new ATOM 1607 N VAL A 103 165.001 -5.358 5.448 1.00 0.00 N ATOM 1608 CA VAL A 103 164.496 -4.073 4.979 1.00 0.00 C ATOM 1609 C VAL A 103 163.557 -3.415 5.985 1.00 0.00 C ATOM 1610 O VAL A 103 162.704 -4.071 6.583 1.00 0.00 O ATOM 1611 CB VAL A 103 163.774 -4.200 3.624 1.00 0.00 C ATOM 1612 CG1 VAL A 103 162.531 -5.066 3.747 1.00 0.00 C ATOM 1613 CG2 VAL A 103 163.420 -2.825 3.078 1.00 0.00 C ATOM 0 H VAL A 103 164.380 -5.857 6.085 1.00 0.00 H new ATOM 0 HA VAL A 103 165.375 -3.439 4.858 1.00 0.00 H new ATOM 0 HB VAL A 103 164.452 -4.686 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.041 -5.139 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 103 162.814 -6.062 4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 103 161.846 -4.619 4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 103 162.911 -2.934 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 103 162.764 -2.312 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 103 164.331 -2.243 2.940 1.00 0.00 H new ATOM 1623 N ILE A 104 163.711 -2.104 6.143 1.00 0.00 N ATOM 1624 CA ILE A 104 162.867 -1.333 7.052 1.00 0.00 C ATOM 1625 C ILE A 104 162.020 -0.338 6.264 1.00 0.00 C ATOM 1626 O ILE A 104 162.545 0.630 5.711 1.00 0.00 O ATOM 1627 CB ILE A 104 163.689 -0.553 8.103 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.986 -1.286 8.451 1.00 0.00 C ATOM 1629 CG2 ILE A 104 162.863 -0.327 9.357 1.00 0.00 C ATOM 1630 CD1 ILE A 104 166.165 -0.847 7.619 1.00 0.00 C ATOM 0 H ILE A 104 164.414 -1.551 5.652 1.00 0.00 H new ATOM 0 HA ILE A 104 162.234 -2.050 7.575 1.00 0.00 H new ATOM 0 HB ILE A 104 163.953 0.413 7.671 1.00 0.00 H new ATOM 0 HG12 ILE A 104 165.214 -1.125 9.505 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.836 -2.357 8.318 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.455 0.223 10.088 1.00 0.00 H new ATOM 0 HG22 ILE A 104 161.971 0.247 9.106 1.00 0.00 H new ATOM 0 HG23 ILE A 104 162.570 -1.289 9.778 1.00 0.00 H new ATOM 0 HD11 ILE A 104 167.051 -1.407 7.919 1.00 0.00 H new ATOM 0 HD12 ILE A 104 165.957 -1.034 6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 104 166.341 0.218 7.771 1.00 0.00 H new ATOM 1642 N TRP A 105 160.711 -0.584 6.208 1.00 0.00 N ATOM 1643 CA TRP A 105 159.796 0.291 5.478 1.00 0.00 C ATOM 1644 C TRP A 105 159.209 1.361 6.394 1.00 0.00 C ATOM 1645 O TRP A 105 159.029 1.138 7.592 1.00 0.00 O ATOM 1646 CB TRP A 105 158.667 -0.525 4.842 1.00 0.00 C ATOM 1647 CG TRP A 105 159.150 -1.545 3.854 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.351 -2.875 4.087 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.493 -1.322 2.479 1.00 0.00 C ATOM 1650 NE1 TRP A 105 159.797 -3.493 2.944 1.00 0.00 N ATOM 1651 CE2 TRP A 105 159.892 -2.562 1.944 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.501 -0.198 1.648 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.294 -2.706 0.617 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 159.899 -0.343 0.333 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.290 -1.589 -0.172 1.00 0.00 C ATOM 0 H TRP A 105 160.262 -1.381 6.659 1.00 0.00 H new ATOM 0 HA TRP A 105 160.366 0.786 4.691 1.00 0.00 H new ATOM 0 HB2 TRP A 105 158.106 -1.030 5.629 1.00 0.00 H new ATOM 0 HB3 TRP A 105 157.975 0.154 4.343 1.00 0.00 H new ATOM 0 HD1 TRP A 105 159.184 -3.369 5.032 1.00 0.00 H new ATOM 0 HE1 TRP A 105 160.021 -4.484 2.855 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.201 0.768 2.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 160.598 -3.666 0.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 159.909 0.520 -0.317 1.00 0.00 H new ATOM 0 HH2 TRP A 105 160.594 -1.670 -1.205 1.00 0.00 H new ATOM 1666 N LYS A 106 158.913 2.522 5.820 1.00 0.00 N ATOM 1667 CA LYS A 106 158.344 3.631 6.579 1.00 0.00 C ATOM 1668 C LYS A 106 156.964 3.271 7.123 1.00 0.00 C ATOM 1669 O LYS A 106 156.490 2.148 6.951 1.00 0.00 O ATOM 1670 CB LYS A 106 158.248 4.878 5.697 1.00 0.00 C ATOM 1671 CG LYS A 106 158.929 6.100 6.294 1.00 0.00 C ATOM 1672 CD LYS A 106 158.001 7.306 6.318 1.00 0.00 C ATOM 1673 CE LYS A 106 157.553 7.640 7.733 1.00 0.00 C ATOM 1674 NZ LYS A 106 158.300 8.800 8.293 1.00 0.00 N ATOM 0 H LYS A 106 159.058 2.720 4.830 1.00 0.00 H new ATOM 0 HA LYS A 106 159.002 3.837 7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 106 158.694 4.662 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 106 157.197 5.108 5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 106 159.258 5.874 7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 106 159.821 6.339 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 106 158.511 8.167 5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 106 157.128 7.106 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 106 156.486 7.861 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 106 157.698 6.771 8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 157.965 8.995 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 159.316 8.580 8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 158.141 9.636 7.696 1.00 0.00 H new ATOM 1688 N LYS A 107 156.326 4.235 7.779 1.00 0.00 N ATOM 1689 CA LYS A 107 155.000 4.026 8.349 1.00 0.00 C ATOM 1690 C LYS A 107 154.206 5.328 8.371 1.00 0.00 C ATOM 1691 O LYS A 107 154.704 6.314 8.955 1.00 0.00 O ATOM 1692 CB LYS A 107 155.113 3.460 9.765 1.00 0.00 C ATOM 1693 CG LYS A 107 155.822 4.389 10.736 1.00 0.00 C ATOM 1694 CD LYS A 107 156.040 3.724 12.085 1.00 0.00 C ATOM 1695 CE LYS A 107 154.725 3.500 12.816 1.00 0.00 C ATOM 1696 NZ LYS A 107 154.671 2.160 13.463 1.00 0.00 N ATOM 1697 OXT LYS A 107 153.093 5.352 7.804 1.00 0.00 O ATOM 0 H LYS A 107 156.706 5.169 7.929 1.00 0.00 H new ATOM 0 HA LYS A 107 154.471 3.309 7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 107 154.113 3.247 10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 107 155.648 2.511 9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 107 156.783 4.689 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 107 155.234 5.297 10.868 1.00 0.00 H new ATOM 0 HD2 LYS A 107 156.546 2.769 11.943 1.00 0.00 H new ATOM 0 HD3 LYS A 107 156.696 4.344 12.696 1.00 0.00 H new ATOM 0 HE2 LYS A 107 154.594 4.274 13.572 1.00 0.00 H new ATOM 0 HE3 LYS A 107 153.898 3.597 12.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 153.759 2.046 13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 154.771 1.420 12.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 155.445 2.076 14.152 1.00 0.00 H new TER 1711 LYS A 107