USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 892 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 Single : A 1 MET CE :methyl -146:sc= 0 (180deg=-0.923) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.11 (180deg=0.532) USER MOD Single : A 2 LYS NZ :NH3+ -117:sc= 0.538 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 79:sc= 1.01 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.905 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.186 F(o=-0.8,f=-0.19) USER MOD Single : A 14 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.5!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= 0.143 USER MOD Single : A 30 THR OG1 : rot 140:sc= 0.89 USER MOD Single : A 32 THR OG1 : rot 132:sc= 1.17 USER MOD Single : A 37 ASN : amide:sc= 0.965 K(o=0.96,f=-3.7!) USER MOD Single : A 43 HIS : no HD1:sc=-0.000163 X(o=-0.00016,f=0) USER MOD Single : A 64 TYR OH : rot -122:sc= 0.905 USER MOD Single : A 72 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.26) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0578 F(o=-1.5!,f=-0.058) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.478 K(o=-0.48,f=-6.7!) USER MOD Single : A 84 SER OG : rot -170:sc= 0 USER MOD Single : A 85 HIS : +bothHN:sc= 1.08 K(o=1.1,f=-7.1!) USER MOD Single : A 88 HIS : no HE2:sc= 1.13 K(o=1.1,f=-6!) USER MOD Single : A 93 SER OG : rot 94:sc= 1.23 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0031 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0156 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 102:sc= 1.08 USER MOD Single : A 111 SER OG : rot -170:sc= 1.33 USER MOD Single : A 121 THR OG1 : rot -5:sc= 0.961 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.299 -6.699 4.978 1.00 0.00 N ATOM 2 CA MET A 1 -8.401 -6.480 3.822 1.00 0.00 C ATOM 3 C MET A 1 -8.514 -7.634 2.837 1.00 0.00 C ATOM 4 O MET A 1 -8.117 -8.760 3.141 1.00 0.00 O ATOM 5 CB MET A 1 -6.949 -6.338 4.284 1.00 0.00 C ATOM 6 CG MET A 1 -5.967 -6.146 3.139 1.00 0.00 C ATOM 7 SD MET A 1 -4.252 -6.076 3.688 1.00 0.00 S ATOM 8 CE MET A 1 -3.406 -5.870 2.122 1.00 0.00 C ATOM 0 H1 MET A 1 -8.944 -6.168 5.799 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.257 -6.370 4.741 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.328 -7.713 5.208 1.00 0.00 H new ATOM 0 HA MET A 1 -8.705 -5.557 3.328 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.873 -5.489 4.964 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.667 -7.226 4.850 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.082 -6.964 2.428 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.211 -5.226 2.609 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.445 -6.384 2.157 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.014 -6.292 1.322 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.243 -4.809 1.933 1.00 0.00 H new ATOM 20 N LYS A 2 -9.073 -7.363 1.666 1.00 0.00 N ATOM 21 CA LYS A 2 -9.165 -8.370 0.619 1.00 0.00 C ATOM 22 C LYS A 2 -8.206 -8.064 -0.520 1.00 0.00 C ATOM 23 O LYS A 2 -8.237 -6.982 -1.103 1.00 0.00 O ATOM 24 CB LYS A 2 -10.586 -8.483 0.068 1.00 0.00 C ATOM 25 CG LYS A 2 -11.505 -9.385 0.879 1.00 0.00 C ATOM 26 CD LYS A 2 -11.913 -8.757 2.203 1.00 0.00 C ATOM 27 CE LYS A 2 -13.053 -9.521 2.856 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.492 -8.898 4.137 1.00 0.00 N ATOM 0 H LYS A 2 -9.469 -6.456 1.418 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.891 -9.322 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.025 -7.486 0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.538 -8.859 -0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.398 -9.608 0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.003 -10.334 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.056 -8.736 2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.215 -7.723 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.898 -9.566 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.739 -10.548 3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.324 -9.560 4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.953 -8.024 4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.506 -8.674 4.085 1.00 0.00 H new ATOM 42 N THR A 3 -7.347 -9.017 -0.815 1.00 0.00 N ATOM 43 CA THR A 3 -6.410 -8.896 -1.920 1.00 0.00 C ATOM 44 C THR A 3 -5.927 -10.286 -2.335 1.00 0.00 C ATOM 45 O THR A 3 -6.264 -11.278 -1.686 1.00 0.00 O ATOM 46 CB THR A 3 -5.211 -7.983 -1.560 1.00 0.00 C ATOM 47 OG1 THR A 3 -4.423 -7.701 -2.726 1.00 0.00 O ATOM 48 CG2 THR A 3 -4.334 -8.623 -0.495 1.00 0.00 C ATOM 0 H THR A 3 -7.276 -9.895 -0.300 1.00 0.00 H new ATOM 0 HA THR A 3 -6.927 -8.428 -2.757 1.00 0.00 H new ATOM 0 HB THR A 3 -5.614 -7.050 -1.165 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.858 -6.998 -3.252 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.501 -7.960 -0.263 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.923 -8.795 0.406 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.949 -9.574 -0.864 1.00 0.00 H new ATOM 56 N THR A 4 -5.162 -10.360 -3.412 1.00 0.00 N ATOM 57 CA THR A 4 -4.679 -11.633 -3.915 1.00 0.00 C ATOM 58 C THR A 4 -3.215 -11.845 -3.540 1.00 0.00 C ATOM 59 O THR A 4 -2.465 -10.882 -3.366 1.00 0.00 O ATOM 60 CB THR A 4 -4.829 -11.710 -5.448 1.00 0.00 C ATOM 61 OG1 THR A 4 -4.156 -10.606 -6.062 1.00 0.00 O ATOM 62 CG2 THR A 4 -6.296 -11.705 -5.853 1.00 0.00 C ATOM 0 H THR A 4 -4.862 -9.550 -3.955 1.00 0.00 H new ATOM 0 HA THR A 4 -5.282 -12.417 -3.457 1.00 0.00 H new ATOM 0 HB THR A 4 -4.380 -12.644 -5.787 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.255 -10.663 -7.035 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.374 -11.760 -6.939 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.799 -12.564 -5.409 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.767 -10.787 -5.502 1.00 0.00 H new ATOM 70 N PRO A 5 -2.791 -13.112 -3.405 1.00 0.00 N ATOM 71 CA PRO A 5 -1.387 -13.461 -3.143 1.00 0.00 C ATOM 72 C PRO A 5 -0.465 -12.924 -4.231 1.00 0.00 C ATOM 73 O PRO A 5 0.709 -12.641 -3.991 1.00 0.00 O ATOM 74 CB PRO A 5 -1.382 -14.995 -3.142 1.00 0.00 C ATOM 75 CG PRO A 5 -2.670 -15.401 -3.773 1.00 0.00 C ATOM 76 CD PRO A 5 -3.648 -14.304 -3.477 1.00 0.00 C ATOM 0 HA PRO A 5 -1.024 -13.031 -2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.532 -15.384 -3.702 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.302 -15.386 -2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.551 -15.536 -4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.018 -16.352 -3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.402 -14.213 -4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.179 -14.477 -2.541 1.00 0.00 H new ATOM 84 N ASP A 6 -1.026 -12.780 -5.424 1.00 0.00 N ATOM 85 CA ASP A 6 -0.329 -12.182 -6.557 1.00 0.00 C ATOM 86 C ASP A 6 0.151 -10.770 -6.214 1.00 0.00 C ATOM 87 O ASP A 6 1.292 -10.403 -6.496 1.00 0.00 O ATOM 88 CB ASP A 6 -1.260 -12.161 -7.771 1.00 0.00 C ATOM 89 CG ASP A 6 -0.762 -11.282 -8.902 1.00 0.00 C ATOM 90 OD1 ASP A 6 0.271 -11.613 -9.519 1.00 0.00 O ATOM 91 OD2 ASP A 6 -1.418 -10.263 -9.189 1.00 0.00 O ATOM 0 H ASP A 6 -1.979 -13.075 -5.635 1.00 0.00 H new ATOM 0 HA ASP A 6 0.550 -12.781 -6.793 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.385 -13.179 -8.141 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.244 -11.813 -7.458 1.00 0.00 H new ATOM 96 N ILE A 7 -0.721 -9.990 -5.590 1.00 0.00 N ATOM 97 CA ILE A 7 -0.367 -8.644 -5.155 1.00 0.00 C ATOM 98 C ILE A 7 0.518 -8.705 -3.912 1.00 0.00 C ATOM 99 O ILE A 7 1.476 -7.944 -3.781 1.00 0.00 O ATOM 100 CB ILE A 7 -1.629 -7.802 -4.851 1.00 0.00 C ATOM 101 CG1 ILE A 7 -2.554 -7.752 -6.074 1.00 0.00 C ATOM 102 CG2 ILE A 7 -1.250 -6.392 -4.420 1.00 0.00 C ATOM 103 CD1 ILE A 7 -1.911 -7.154 -7.311 1.00 0.00 C ATOM 0 H ILE A 7 -1.679 -10.265 -5.373 1.00 0.00 H new ATOM 0 HA ILE A 7 0.180 -8.166 -5.968 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.162 -8.281 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.889 -8.763 -6.304 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.441 -7.171 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.154 -5.820 -4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.635 -6.439 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.689 -5.906 -5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.629 -7.155 -8.131 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.601 -6.130 -7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.040 -7.747 -7.591 1.00 0.00 H new ATOM 115 N LEU A 8 0.199 -9.636 -3.020 1.00 0.00 N ATOM 116 CA LEU A 8 0.929 -9.800 -1.764 1.00 0.00 C ATOM 117 C LEU A 8 2.418 -10.040 -1.995 1.00 0.00 C ATOM 118 O LEU A 8 3.262 -9.410 -1.353 1.00 0.00 O ATOM 119 CB LEU A 8 0.345 -10.960 -0.956 1.00 0.00 C ATOM 120 CG LEU A 8 -1.055 -10.720 -0.395 1.00 0.00 C ATOM 121 CD1 LEU A 8 -1.567 -11.966 0.309 1.00 0.00 C ATOM 122 CD2 LEU A 8 -1.040 -9.539 0.560 1.00 0.00 C ATOM 0 H LEU A 8 -0.569 -10.296 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 8 0.819 -8.870 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.318 -11.846 -1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.018 -11.180 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.728 -10.493 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.566 -11.777 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.607 -12.794 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.896 -12.222 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.043 -9.377 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.356 -9.745 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.710 -8.646 0.029 1.00 0.00 H new ATOM 134 N ASP A 9 2.747 -10.949 -2.906 1.00 0.00 N ATOM 135 CA ASP A 9 4.145 -11.272 -3.173 1.00 0.00 C ATOM 136 C ASP A 9 4.861 -10.065 -3.755 1.00 0.00 C ATOM 137 O ASP A 9 6.012 -9.793 -3.421 1.00 0.00 O ATOM 138 CB ASP A 9 4.268 -12.458 -4.123 1.00 0.00 C ATOM 139 CG ASP A 9 5.666 -13.045 -4.110 1.00 0.00 C ATOM 140 OD1 ASP A 9 6.073 -13.577 -3.058 1.00 0.00 O ATOM 141 OD2 ASP A 9 6.359 -12.986 -5.145 1.00 0.00 O ATOM 0 H ASP A 9 2.074 -11.471 -3.467 1.00 0.00 H new ATOM 0 HA ASP A 9 4.612 -11.545 -2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.548 -13.226 -3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.016 -12.141 -5.135 1.00 0.00 H new ATOM 146 N GLN A 10 4.154 -9.331 -4.610 1.00 0.00 N ATOM 147 CA GLN A 10 4.672 -8.093 -5.185 1.00 0.00 C ATOM 148 C GLN A 10 5.013 -7.076 -4.094 1.00 0.00 C ATOM 149 O GLN A 10 5.924 -6.259 -4.257 1.00 0.00 O ATOM 150 CB GLN A 10 3.658 -7.500 -6.167 1.00 0.00 C ATOM 151 CG GLN A 10 3.495 -8.319 -7.436 1.00 0.00 C ATOM 152 CD GLN A 10 2.496 -7.708 -8.399 1.00 0.00 C ATOM 153 OE1 GLN A 10 1.249 -8.137 -8.304 1.00 0.00 O flip ATOM 154 NE2 GLN A 10 2.849 -6.872 -9.234 1.00 0.00 N flip ATOM 0 H GLN A 10 3.214 -9.575 -4.922 1.00 0.00 H new ATOM 0 HA GLN A 10 5.590 -8.329 -5.723 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.691 -7.415 -5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.969 -6.490 -6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.462 -8.412 -7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.173 -9.327 -7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.822 -6.569 -9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.168 -6.484 -9.886 1.00 0.00 H new ATOM 163 N ILE A 11 4.281 -7.121 -2.985 1.00 0.00 N ATOM 164 CA ILE A 11 4.576 -6.260 -1.844 1.00 0.00 C ATOM 165 C ILE A 11 5.935 -6.626 -1.256 1.00 0.00 C ATOM 166 O ILE A 11 6.742 -5.752 -0.940 1.00 0.00 O ATOM 167 CB ILE A 11 3.494 -6.364 -0.741 1.00 0.00 C ATOM 168 CG1 ILE A 11 2.111 -6.033 -1.314 1.00 0.00 C ATOM 169 CG2 ILE A 11 3.828 -5.435 0.422 1.00 0.00 C ATOM 170 CD1 ILE A 11 0.982 -6.175 -0.314 1.00 0.00 C ATOM 0 H ILE A 11 3.483 -7.742 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 11 4.587 -5.232 -2.206 1.00 0.00 H new ATOM 0 HB ILE A 11 3.476 -7.389 -0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.121 -5.011 -1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.915 -6.687 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.058 -5.520 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.793 -5.714 0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.872 -4.406 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.037 -5.924 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.943 -7.203 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.153 -5.501 0.526 1.00 0.00 H new ATOM 182 N ARG A 12 6.192 -7.927 -1.144 1.00 0.00 N ATOM 183 CA ARG A 12 7.464 -8.414 -0.618 1.00 0.00 C ATOM 184 C ARG A 12 8.613 -7.991 -1.524 1.00 0.00 C ATOM 185 O ARG A 12 9.682 -7.602 -1.048 1.00 0.00 O ATOM 186 CB ARG A 12 7.461 -9.939 -0.491 1.00 0.00 C ATOM 187 CG ARG A 12 6.309 -10.493 0.329 1.00 0.00 C ATOM 188 CD ARG A 12 6.550 -11.945 0.710 1.00 0.00 C ATOM 189 NE ARG A 12 6.911 -12.773 -0.442 1.00 0.00 N ATOM 190 CZ ARG A 12 7.898 -13.672 -0.436 1.00 0.00 C ATOM 191 NH1 ARG A 12 8.622 -13.878 0.660 1.00 0.00 N ATOM 192 NH2 ARG A 12 8.158 -14.366 -1.532 1.00 0.00 N ATOM 0 H ARG A 12 5.537 -8.662 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 12 7.599 -7.977 0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.425 -10.375 -1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.400 -10.257 -0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.181 -9.895 1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.383 -10.413 -0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.346 -11.995 1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.652 -12.349 1.177 1.00 0.00 H new ATOM 0 HE ARG A 12 6.376 -12.656 -1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.426 -13.347 1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.374 -14.568 0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.606 -14.213 -2.376 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.911 -15.054 -1.533 1.00 0.00 H new ATOM 206 N VAL A 13 8.378 -8.071 -2.832 1.00 0.00 N ATOM 207 CA VAL A 13 9.382 -7.693 -3.824 1.00 0.00 C ATOM 208 C VAL A 13 9.841 -6.254 -3.614 1.00 0.00 C ATOM 209 O VAL A 13 11.034 -5.971 -3.635 1.00 0.00 O ATOM 210 CB VAL A 13 8.847 -7.849 -5.268 1.00 0.00 C ATOM 211 CG1 VAL A 13 9.895 -7.424 -6.291 1.00 0.00 C ATOM 212 CG2 VAL A 13 8.406 -9.280 -5.527 1.00 0.00 C ATOM 0 H VAL A 13 7.497 -8.396 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 13 10.227 -8.368 -3.690 1.00 0.00 H new ATOM 0 HB VAL A 13 7.982 -7.194 -5.375 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.492 -7.544 -7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.159 -6.379 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.784 -8.045 -6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.034 -9.367 -6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.253 -9.952 -5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.614 -9.549 -4.828 1.00 0.00 H new ATOM 222 N HIS A 14 8.888 -5.352 -3.391 1.00 0.00 N ATOM 223 CA HIS A 14 9.204 -3.938 -3.192 1.00 0.00 C ATOM 224 C HIS A 14 10.140 -3.740 -2.003 1.00 0.00 C ATOM 225 O HIS A 14 11.042 -2.907 -2.048 1.00 0.00 O ATOM 226 CB HIS A 14 7.929 -3.113 -2.987 1.00 0.00 C ATOM 227 CG HIS A 14 7.188 -2.811 -4.256 1.00 0.00 C ATOM 228 ND1 HIS A 14 6.175 -3.605 -4.749 1.00 0.00 N ATOM 229 CD2 HIS A 14 7.314 -1.785 -5.131 1.00 0.00 C ATOM 230 CE1 HIS A 14 5.714 -3.081 -5.869 1.00 0.00 C ATOM 231 NE2 HIS A 14 6.386 -1.977 -6.125 1.00 0.00 N ATOM 0 H HIS A 14 7.893 -5.573 -3.343 1.00 0.00 H new ATOM 0 HA HIS A 14 9.709 -3.591 -4.094 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.265 -3.651 -2.310 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.190 -2.174 -2.499 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.835 -4.464 -4.316 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.015 -0.967 -5.060 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.918 -3.489 -6.475 1.00 0.00 H new ATOM 240 N GLY A 15 9.925 -4.519 -0.951 1.00 0.00 N ATOM 241 CA GLY A 15 10.745 -4.403 0.241 1.00 0.00 C ATOM 242 C GLY A 15 12.184 -4.821 -0.003 1.00 0.00 C ATOM 243 O GLY A 15 13.119 -4.103 0.351 1.00 0.00 O ATOM 0 H GLY A 15 9.196 -5.231 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.724 -3.372 0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.320 -5.020 1.033 1.00 0.00 H new ATOM 247 N ALA A 16 12.364 -5.977 -0.632 1.00 0.00 N ATOM 248 CA ALA A 16 13.698 -6.506 -0.897 1.00 0.00 C ATOM 249 C ALA A 16 14.397 -5.715 -1.998 1.00 0.00 C ATOM 250 O ALA A 16 15.625 -5.610 -2.019 1.00 0.00 O ATOM 251 CB ALA A 16 13.614 -7.977 -1.275 1.00 0.00 C ATOM 0 H ALA A 16 11.603 -6.567 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 16 14.288 -6.407 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.616 -8.360 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.164 -8.538 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.002 -8.088 -2.170 1.00 0.00 H new ATOM 257 N ASP A 17 13.606 -5.157 -2.903 1.00 0.00 N ATOM 258 CA ASP A 17 14.133 -4.402 -4.034 1.00 0.00 C ATOM 259 C ASP A 17 14.658 -3.048 -3.594 1.00 0.00 C ATOM 260 O ASP A 17 15.689 -2.575 -4.077 1.00 0.00 O ATOM 261 CB ASP A 17 13.032 -4.190 -5.069 1.00 0.00 C ATOM 262 CG ASP A 17 13.540 -3.582 -6.360 1.00 0.00 C ATOM 263 OD1 ASP A 17 14.355 -4.233 -7.052 1.00 0.00 O ATOM 264 OD2 ASP A 17 13.110 -2.464 -6.705 1.00 0.00 O ATOM 0 H ASP A 17 12.588 -5.213 -2.876 1.00 0.00 H new ATOM 0 HA ASP A 17 14.954 -4.974 -4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.557 -5.147 -5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.264 -3.542 -4.646 1.00 0.00 H new ATOM 269 N ALA A 18 13.947 -2.443 -2.660 1.00 0.00 N ATOM 270 CA ALA A 18 14.254 -1.091 -2.220 1.00 0.00 C ATOM 271 C ALA A 18 15.338 -1.056 -1.151 1.00 0.00 C ATOM 272 O ALA A 18 16.075 -0.079 -1.060 1.00 0.00 O ATOM 273 CB ALA A 18 12.997 -0.412 -1.712 1.00 0.00 C ATOM 0 H ALA A 18 13.149 -2.868 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 18 14.640 -0.551 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.237 0.600 -1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.258 -0.369 -2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.591 -0.978 -0.873 1.00 0.00 H new ATOM 279 N TYR A 19 15.434 -2.118 -0.350 1.00 0.00 N ATOM 280 CA TYR A 19 16.377 -2.159 0.775 1.00 0.00 C ATOM 281 C TYR A 19 17.765 -1.670 0.348 1.00 0.00 C ATOM 282 O TYR A 19 18.268 -2.056 -0.708 1.00 0.00 O ATOM 283 CB TYR A 19 16.469 -3.581 1.349 1.00 0.00 C ATOM 284 CG TYR A 19 17.171 -3.641 2.692 1.00 0.00 C ATOM 285 CD1 TYR A 19 16.464 -3.432 3.868 1.00 0.00 C ATOM 286 CD2 TYR A 19 18.536 -3.892 2.783 1.00 0.00 C ATOM 287 CE1 TYR A 19 17.095 -3.464 5.096 1.00 0.00 C ATOM 288 CE2 TYR A 19 19.173 -3.931 4.008 1.00 0.00 C ATOM 289 CZ TYR A 19 18.448 -3.716 5.161 1.00 0.00 C ATOM 290 OH TYR A 19 19.078 -3.740 6.383 1.00 0.00 O ATOM 0 H TYR A 19 14.872 -2.962 -0.457 1.00 0.00 H new ATOM 0 HA TYR A 19 16.003 -1.490 1.550 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.464 -3.989 1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 19 16.999 -4.218 0.641 1.00 0.00 H new ATOM 0 HD1 TYR A 19 15.402 -3.241 3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 19 19.107 -4.059 1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 19 16.531 -3.292 6.001 1.00 0.00 H new ATOM 0 HE2 TYR A 19 20.233 -4.129 4.062 1.00 0.00 H new ATOM 0 HH TYR A 19 20.031 -3.932 6.256 1.00 0.00 H new ATOM 300 N PRO A 20 18.413 -0.824 1.169 1.00 0.00 N ATOM 301 CA PRO A 20 17.925 -0.423 2.485 1.00 0.00 C ATOM 302 C PRO A 20 17.065 0.845 2.483 1.00 0.00 C ATOM 303 O PRO A 20 16.538 1.234 3.529 1.00 0.00 O ATOM 304 CB PRO A 20 19.220 -0.185 3.269 1.00 0.00 C ATOM 305 CG PRO A 20 20.303 0.024 2.249 1.00 0.00 C ATOM 306 CD PRO A 20 19.701 -0.194 0.881 1.00 0.00 C ATOM 0 HA PRO A 20 17.263 -1.181 2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 20 19.126 0.685 3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 20 19.449 -1.037 3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 20 20.713 1.031 2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.126 -0.670 2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 20 19.576 0.746 0.343 1.00 0.00 H new ATOM 0 HD3 PRO A 20 20.331 -0.834 0.263 1.00 0.00 H new ATOM 314 N GLU A 21 16.916 1.483 1.327 1.00 0.00 N ATOM 315 CA GLU A 21 16.201 2.756 1.253 1.00 0.00 C ATOM 316 C GLU A 21 14.701 2.551 1.454 1.00 0.00 C ATOM 317 O GLU A 21 14.198 1.428 1.357 1.00 0.00 O ATOM 318 CB GLU A 21 16.462 3.453 -0.087 1.00 0.00 C ATOM 319 CG GLU A 21 15.762 2.798 -1.264 1.00 0.00 C ATOM 320 CD GLU A 21 16.143 3.411 -2.590 1.00 0.00 C ATOM 321 OE1 GLU A 21 17.177 3.012 -3.158 1.00 0.00 O ATOM 322 OE2 GLU A 21 15.409 4.294 -3.072 1.00 0.00 O ATOM 0 H GLU A 21 17.276 1.145 0.435 1.00 0.00 H new ATOM 0 HA GLU A 21 16.575 3.393 2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.138 4.491 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 21 17.535 3.466 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.003 1.735 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.683 2.878 -1.129 1.00 0.00 H new ATOM 329 N GLU A 22 13.994 3.637 1.739 1.00 0.00 N ATOM 330 CA GLU A 22 12.557 3.577 1.953 1.00 0.00 C ATOM 331 C GLU A 22 11.818 3.407 0.627 1.00 0.00 C ATOM 332 O GLU A 22 11.610 4.370 -0.113 1.00 0.00 O ATOM 333 CB GLU A 22 12.051 4.834 2.675 1.00 0.00 C ATOM 334 CG GLU A 22 12.659 5.055 4.056 1.00 0.00 C ATOM 335 CD GLU A 22 14.012 5.741 4.012 1.00 0.00 C ATOM 336 OE1 GLU A 22 14.047 6.989 3.947 1.00 0.00 O ATOM 337 OE2 GLU A 22 15.044 5.044 4.051 1.00 0.00 O ATOM 0 H GLU A 22 14.395 4.571 1.827 1.00 0.00 H new ATOM 0 HA GLU A 22 12.355 2.711 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.263 5.705 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.967 4.770 2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.974 5.655 4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.763 4.093 4.558 1.00 0.00 H new ATOM 344 N GLY A 23 11.445 2.172 0.327 1.00 0.00 N ATOM 345 CA GLY A 23 10.694 1.894 -0.880 1.00 0.00 C ATOM 346 C GLY A 23 9.238 1.616 -0.581 1.00 0.00 C ATOM 347 O GLY A 23 8.562 0.895 -1.320 1.00 0.00 O ATOM 0 H GLY A 23 11.650 1.354 0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.770 2.743 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.131 1.036 -1.391 1.00 0.00 H new ATOM 351 N CYS A 24 8.759 2.194 0.511 1.00 0.00 N ATOM 352 CA CYS A 24 7.383 2.011 0.949 1.00 0.00 C ATOM 353 C CYS A 24 6.424 2.804 0.068 1.00 0.00 C ATOM 354 O CYS A 24 6.852 3.594 -0.776 1.00 0.00 O ATOM 355 CB CYS A 24 7.250 2.450 2.405 1.00 0.00 C ATOM 356 SG CYS A 24 7.991 4.061 2.758 1.00 0.00 S ATOM 0 H CYS A 24 9.311 2.801 1.117 1.00 0.00 H new ATOM 0 HA CYS A 24 7.124 0.956 0.864 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.193 2.482 2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.715 1.700 3.044 1.00 0.00 H new ATOM 0 HG CYS A 24 7.826 4.348 4.015 1.00 0.00 H new ATOM 362 N GLY A 25 5.131 2.606 0.267 1.00 0.00 N ATOM 363 CA GLY A 25 4.155 3.302 -0.538 1.00 0.00 C ATOM 364 C GLY A 25 2.743 3.108 -0.042 1.00 0.00 C ATOM 365 O GLY A 25 2.527 2.741 1.110 1.00 0.00 O ATOM 0 H GLY A 25 4.742 1.977 0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.390 4.366 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.225 2.953 -1.568 1.00 0.00 H new ATOM 369 N PHE A 26 1.786 3.327 -0.928 1.00 0.00 N ATOM 370 CA PHE A 26 0.379 3.271 -0.577 1.00 0.00 C ATOM 371 C PHE A 26 -0.307 2.124 -1.304 1.00 0.00 C ATOM 372 O PHE A 26 0.153 1.677 -2.360 1.00 0.00 O ATOM 373 CB PHE A 26 -0.307 4.594 -0.930 1.00 0.00 C ATOM 374 CG PHE A 26 0.288 5.789 -0.239 1.00 0.00 C ATOM 375 CD1 PHE A 26 -0.129 6.147 1.033 1.00 0.00 C ATOM 376 CD2 PHE A 26 1.265 6.553 -0.859 1.00 0.00 C ATOM 377 CE1 PHE A 26 0.416 7.244 1.673 1.00 0.00 C ATOM 378 CE2 PHE A 26 1.812 7.652 -0.224 1.00 0.00 C ATOM 379 CZ PHE A 26 1.389 7.996 1.043 1.00 0.00 C ATOM 0 H PHE A 26 1.963 3.548 -1.908 1.00 0.00 H new ATOM 0 HA PHE A 26 0.299 3.103 0.497 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.252 4.745 -2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.364 4.525 -0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.889 5.562 1.530 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.602 6.286 -1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.082 7.513 2.664 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.570 8.241 -0.719 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.818 8.852 1.542 1.00 0.00 H new ATOM 389 N LEU A 27 -1.409 1.665 -0.740 1.00 0.00 N ATOM 390 CA LEU A 27 -2.185 0.588 -1.327 1.00 0.00 C ATOM 391 C LEU A 27 -3.294 1.169 -2.186 1.00 0.00 C ATOM 392 O LEU A 27 -4.148 1.907 -1.692 1.00 0.00 O ATOM 393 CB LEU A 27 -2.797 -0.287 -0.229 1.00 0.00 C ATOM 394 CG LEU A 27 -1.803 -0.949 0.724 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.540 -1.631 1.864 1.00 0.00 C ATOM 396 CD2 LEU A 27 -0.936 -1.950 -0.020 1.00 0.00 C ATOM 0 H LEU A 27 -1.790 2.026 0.134 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.526 -0.025 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.482 0.325 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.393 -1.067 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.156 -0.176 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.819 -2.098 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.122 -0.892 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.208 -2.393 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.234 -2.411 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.568 -2.720 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.383 -1.438 -0.807 1.00 0.00 H new ATOM 408 N LEU A 28 -3.279 0.847 -3.465 1.00 0.00 N ATOM 409 CA LEU A 28 -4.286 1.355 -4.379 1.00 0.00 C ATOM 410 C LEU A 28 -5.284 0.260 -4.709 1.00 0.00 C ATOM 411 O LEU A 28 -4.907 -0.886 -4.965 1.00 0.00 O ATOM 412 CB LEU A 28 -3.646 1.885 -5.665 1.00 0.00 C ATOM 413 CG LEU A 28 -2.629 3.012 -5.477 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.119 3.492 -6.825 1.00 0.00 C ATOM 415 CD2 LEU A 28 -3.244 4.163 -4.700 1.00 0.00 C ATOM 0 H LEU A 28 -2.583 0.238 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.803 2.181 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.154 1.056 -6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.438 2.240 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.786 2.625 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.396 4.294 -6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.640 2.665 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.954 3.862 -7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.505 4.955 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.104 4.551 -5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.565 3.810 -3.720 1.00 0.00 H new ATOM 427 N GLY A 29 -6.553 0.604 -4.686 1.00 0.00 N ATOM 428 CA GLY A 29 -7.577 -0.358 -4.999 1.00 0.00 C ATOM 429 C GLY A 29 -8.946 0.265 -4.982 1.00 0.00 C ATOM 430 O GLY A 29 -9.095 1.454 -5.265 1.00 0.00 O ATOM 0 H GLY A 29 -6.895 1.537 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.385 -0.788 -5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.540 -1.176 -4.280 1.00 0.00 H new ATOM 434 N THR A 30 -9.939 -0.532 -4.646 1.00 0.00 N ATOM 435 CA THR A 30 -11.306 -0.061 -4.578 1.00 0.00 C ATOM 436 C THR A 30 -11.983 -0.568 -3.312 1.00 0.00 C ATOM 437 O THR A 30 -11.600 -1.605 -2.764 1.00 0.00 O ATOM 438 CB THR A 30 -12.119 -0.517 -5.809 1.00 0.00 C ATOM 439 OG1 THR A 30 -11.892 -1.915 -6.064 1.00 0.00 O ATOM 440 CG2 THR A 30 -11.758 0.297 -7.044 1.00 0.00 C ATOM 0 H THR A 30 -9.822 -1.518 -4.414 1.00 0.00 H new ATOM 0 HA THR A 30 -11.275 1.028 -4.563 1.00 0.00 H new ATOM 0 HB THR A 30 -13.174 -0.355 -5.590 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.736 -2.342 -6.322 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.348 -0.049 -7.893 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.970 1.350 -6.860 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.698 0.173 -7.264 1.00 0.00 H new ATOM 448 N VAL A 31 -12.974 0.168 -2.841 1.00 0.00 N ATOM 449 CA VAL A 31 -13.763 -0.266 -1.704 1.00 0.00 C ATOM 450 C VAL A 31 -14.957 -1.060 -2.208 1.00 0.00 C ATOM 451 O VAL A 31 -15.781 -0.549 -2.970 1.00 0.00 O ATOM 452 CB VAL A 31 -14.259 0.920 -0.852 1.00 0.00 C ATOM 453 CG1 VAL A 31 -15.009 0.425 0.376 1.00 0.00 C ATOM 454 CG2 VAL A 31 -13.098 1.812 -0.447 1.00 0.00 C ATOM 0 H VAL A 31 -13.251 1.070 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.127 -0.882 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.948 1.509 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.350 1.278 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.869 -0.167 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.346 -0.191 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.469 2.643 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.382 1.234 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.609 2.200 -1.340 1.00 0.00 H new ATOM 464 N THR A 32 -15.032 -2.313 -1.808 1.00 0.00 N ATOM 465 CA THR A 32 -16.083 -3.189 -2.291 1.00 0.00 C ATOM 466 C THR A 32 -17.391 -2.931 -1.551 1.00 0.00 C ATOM 467 O THR A 32 -17.433 -2.164 -0.583 1.00 0.00 O ATOM 468 CB THR A 32 -15.693 -4.674 -2.149 1.00 0.00 C ATOM 469 OG1 THR A 32 -15.394 -4.981 -0.783 1.00 0.00 O ATOM 470 CG2 THR A 32 -14.493 -5.007 -3.024 1.00 0.00 C ATOM 0 H THR A 32 -14.382 -2.747 -1.153 1.00 0.00 H new ATOM 0 HA THR A 32 -16.222 -2.968 -3.349 1.00 0.00 H new ATOM 0 HB THR A 32 -16.540 -5.277 -2.476 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.872 -5.795 -0.518 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.238 -6.060 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 32 -14.737 -4.808 -4.067 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.644 -4.392 -2.726 1.00 0.00 H new ATOM 478 N ASP A 33 -18.455 -3.582 -2.004 1.00 0.00 N ATOM 479 CA ASP A 33 -19.769 -3.442 -1.384 1.00 0.00 C ATOM 480 C ASP A 33 -19.754 -4.011 0.035 1.00 0.00 C ATOM 481 O ASP A 33 -20.640 -3.732 0.838 1.00 0.00 O ATOM 482 CB ASP A 33 -20.825 -4.151 -2.231 1.00 0.00 C ATOM 483 CG ASP A 33 -22.237 -3.826 -1.796 1.00 0.00 C ATOM 484 OD1 ASP A 33 -22.681 -2.682 -2.024 1.00 0.00 O ATOM 485 OD2 ASP A 33 -22.910 -4.711 -1.230 1.00 0.00 O ATOM 0 H ASP A 33 -18.434 -4.216 -2.803 1.00 0.00 H new ATOM 0 HA ASP A 33 -20.018 -2.382 -1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.697 -3.868 -3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -20.670 -5.228 -2.171 1.00 0.00 H new ATOM 490 N ASP A 34 -18.728 -4.804 0.328 1.00 0.00 N ATOM 491 CA ASP A 34 -18.527 -5.361 1.665 1.00 0.00 C ATOM 492 C ASP A 34 -18.198 -4.256 2.658 1.00 0.00 C ATOM 493 O ASP A 34 -18.526 -4.345 3.841 1.00 0.00 O ATOM 494 CB ASP A 34 -17.373 -6.372 1.671 1.00 0.00 C ATOM 495 CG ASP A 34 -17.494 -7.427 0.597 1.00 0.00 C ATOM 496 OD1 ASP A 34 -17.032 -7.171 -0.536 1.00 0.00 O ATOM 497 OD2 ASP A 34 -18.028 -8.519 0.885 1.00 0.00 O ATOM 0 H ASP A 34 -18.016 -5.078 -0.349 1.00 0.00 H new ATOM 0 HA ASP A 34 -19.452 -5.860 1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.432 -5.838 1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.332 -6.859 2.645 1.00 0.00 H new ATOM 502 N GLY A 35 -17.546 -3.211 2.165 1.00 0.00 N ATOM 503 CA GLY A 35 -17.060 -2.161 3.035 1.00 0.00 C ATOM 504 C GLY A 35 -15.621 -2.408 3.439 1.00 0.00 C ATOM 505 O GLY A 35 -15.102 -1.779 4.363 1.00 0.00 O ATOM 0 H GLY A 35 -17.345 -3.073 1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.138 -1.199 2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.686 -2.104 3.925 1.00 0.00 H new ATOM 509 N ASP A 36 -14.983 -3.341 2.740 1.00 0.00 N ATOM 510 CA ASP A 36 -13.597 -3.701 3.009 1.00 0.00 C ATOM 511 C ASP A 36 -12.690 -3.021 1.987 1.00 0.00 C ATOM 512 O ASP A 36 -13.167 -2.474 0.989 1.00 0.00 O ATOM 513 CB ASP A 36 -13.429 -5.230 2.951 1.00 0.00 C ATOM 514 CG ASP A 36 -12.131 -5.726 3.575 1.00 0.00 C ATOM 515 OD1 ASP A 36 -11.073 -5.615 2.935 1.00 0.00 O ATOM 516 OD2 ASP A 36 -12.167 -6.264 4.699 1.00 0.00 O ATOM 0 H ASP A 36 -15.409 -3.865 1.976 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.319 -3.364 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.270 -5.699 3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.468 -5.552 1.910 1.00 0.00 H new ATOM 521 N ASN A 37 -11.394 -3.067 2.226 1.00 0.00 N ATOM 522 CA ASN A 37 -10.427 -2.394 1.372 1.00 0.00 C ATOM 523 C ASN A 37 -9.743 -3.409 0.465 1.00 0.00 C ATOM 524 O ASN A 37 -8.942 -4.230 0.923 1.00 0.00 O ATOM 525 CB ASN A 37 -9.380 -1.656 2.223 1.00 0.00 C ATOM 526 CG ASN A 37 -9.977 -0.540 3.071 1.00 0.00 C ATOM 527 OD1 ASN A 37 -11.147 -0.577 3.449 1.00 0.00 O ATOM 528 ND2 ASN A 37 -9.171 0.457 3.393 1.00 0.00 N ATOM 0 H ASN A 37 -10.980 -3.568 3.012 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.952 -1.662 0.758 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.881 -2.372 2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.617 -1.237 1.567 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.515 1.224 3.971 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.206 0.459 3.064 1.00 0.00 H new ATOM 535 N ARG A 38 -10.076 -3.364 -0.818 1.00 0.00 N ATOM 536 CA ARG A 38 -9.530 -4.310 -1.778 1.00 0.00 C ATOM 537 C ARG A 38 -8.329 -3.709 -2.496 1.00 0.00 C ATOM 538 O ARG A 38 -8.472 -2.791 -3.303 1.00 0.00 O ATOM 539 CB ARG A 38 -10.591 -4.714 -2.804 1.00 0.00 C ATOM 540 CG ARG A 38 -10.136 -5.820 -3.740 1.00 0.00 C ATOM 541 CD ARG A 38 -11.134 -6.056 -4.862 1.00 0.00 C ATOM 542 NE ARG A 38 -11.207 -4.919 -5.779 1.00 0.00 N ATOM 543 CZ ARG A 38 -11.238 -5.035 -7.110 1.00 0.00 C ATOM 544 NH1 ARG A 38 -11.241 -6.239 -7.680 1.00 0.00 N ATOM 545 NH2 ARG A 38 -11.288 -3.945 -7.866 1.00 0.00 N ATOM 0 H ARG A 38 -10.721 -2.682 -1.217 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.212 -5.197 -1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.489 -5.040 -2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.867 -3.840 -3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.166 -5.561 -4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.000 -6.742 -3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.851 -6.951 -5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.120 -6.243 -4.437 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.236 -3.981 -5.379 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.220 -7.078 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.265 -6.322 -8.696 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.303 -3.023 -7.431 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.312 -4.030 -8.882 1.00 0.00 H new ATOM 559 N VAL A 39 -7.154 -4.236 -2.203 1.00 0.00 N ATOM 560 CA VAL A 39 -5.924 -3.757 -2.823 1.00 0.00 C ATOM 561 C VAL A 39 -5.702 -4.450 -4.159 1.00 0.00 C ATOM 562 O VAL A 39 -5.671 -5.682 -4.229 1.00 0.00 O ATOM 563 CB VAL A 39 -4.701 -4.001 -1.917 1.00 0.00 C ATOM 564 CG1 VAL A 39 -3.440 -3.409 -2.533 1.00 0.00 C ATOM 565 CG2 VAL A 39 -4.942 -3.429 -0.528 1.00 0.00 C ATOM 0 H VAL A 39 -7.022 -4.998 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.033 -2.683 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.556 -5.077 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.592 -3.595 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.256 -3.873 -3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.569 -2.335 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.068 -3.611 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.118 -2.356 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.813 -3.910 -0.083 1.00 0.00 H new ATOM 575 N ALA A 40 -5.556 -3.662 -5.214 1.00 0.00 N ATOM 576 CA ALA A 40 -5.365 -4.208 -6.550 1.00 0.00 C ATOM 577 C ALA A 40 -4.067 -3.713 -7.177 1.00 0.00 C ATOM 578 O ALA A 40 -3.551 -4.325 -8.109 1.00 0.00 O ATOM 579 CB ALA A 40 -6.541 -3.839 -7.439 1.00 0.00 C ATOM 0 H ALA A 40 -5.566 -2.643 -5.171 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.304 -5.292 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.387 -4.253 -8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.459 -4.245 -7.015 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.621 -2.754 -7.505 1.00 0.00 H new ATOM 585 N ALA A 41 -3.546 -2.601 -6.671 1.00 0.00 N ATOM 586 CA ALA A 41 -2.327 -2.017 -7.214 1.00 0.00 C ATOM 587 C ALA A 41 -1.420 -1.494 -6.107 1.00 0.00 C ATOM 588 O ALA A 41 -1.885 -1.145 -5.019 1.00 0.00 O ATOM 589 CB ALA A 41 -2.668 -0.897 -8.183 1.00 0.00 C ATOM 0 H ALA A 41 -3.948 -2.087 -5.887 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.789 -2.801 -7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.749 -0.469 -8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.268 -1.294 -9.002 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.232 -0.124 -7.661 1.00 0.00 H new ATOM 595 N LEU A 42 -0.128 -1.430 -6.394 1.00 0.00 N ATOM 596 CA LEU A 42 0.851 -0.965 -5.425 1.00 0.00 C ATOM 597 C LEU A 42 1.559 0.279 -5.945 1.00 0.00 C ATOM 598 O LEU A 42 2.081 0.285 -7.057 1.00 0.00 O ATOM 599 CB LEU A 42 1.876 -2.064 -5.141 1.00 0.00 C ATOM 600 CG LEU A 42 1.303 -3.364 -4.578 1.00 0.00 C ATOM 601 CD1 LEU A 42 2.393 -4.415 -4.477 1.00 0.00 C ATOM 602 CD2 LEU A 42 0.664 -3.121 -3.217 1.00 0.00 C ATOM 0 H LEU A 42 0.267 -1.696 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 42 0.331 -0.716 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.406 -2.291 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.613 -1.677 -4.438 1.00 0.00 H new ATOM 0 HG LEU A 42 0.531 -3.728 -5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.973 -5.337 -4.075 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.807 -4.606 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.183 -4.058 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.261 -4.058 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.414 -2.737 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.142 -2.394 -3.318 1.00 0.00 H new ATOM 614 N HIS A 43 1.574 1.331 -5.144 1.00 0.00 N ATOM 615 CA HIS A 43 2.229 2.566 -5.538 1.00 0.00 C ATOM 616 C HIS A 43 3.277 2.955 -4.508 1.00 0.00 C ATOM 617 O HIS A 43 2.963 3.142 -3.339 1.00 0.00 O ATOM 618 CB HIS A 43 1.186 3.682 -5.691 1.00 0.00 C ATOM 619 CG HIS A 43 1.757 5.024 -6.045 1.00 0.00 C ATOM 620 ND1 HIS A 43 1.998 5.425 -7.339 1.00 0.00 N ATOM 621 CD2 HIS A 43 2.124 6.064 -5.259 1.00 0.00 C ATOM 622 CE1 HIS A 43 2.489 6.651 -7.337 1.00 0.00 C ATOM 623 NE2 HIS A 43 2.578 7.064 -6.085 1.00 0.00 N ATOM 0 H HIS A 43 1.142 1.355 -4.220 1.00 0.00 H new ATOM 0 HA HIS A 43 2.727 2.416 -6.496 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.471 3.391 -6.461 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.630 3.773 -4.758 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.070 6.101 -4.181 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.770 7.220 -8.211 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.926 7.974 -5.782 1.00 0.00 H new ATOM 632 N ARG A 44 4.521 3.081 -4.947 1.00 0.00 N ATOM 633 CA ARG A 44 5.602 3.510 -4.068 1.00 0.00 C ATOM 634 C ARG A 44 5.480 5.000 -3.769 1.00 0.00 C ATOM 635 O ARG A 44 5.140 5.789 -4.654 1.00 0.00 O ATOM 636 CB ARG A 44 6.966 3.212 -4.698 1.00 0.00 C ATOM 637 CG ARG A 44 8.137 3.723 -3.874 1.00 0.00 C ATOM 638 CD ARG A 44 9.470 3.432 -4.537 1.00 0.00 C ATOM 639 NE ARG A 44 10.567 4.111 -3.849 1.00 0.00 N ATOM 640 CZ ARG A 44 11.829 3.691 -3.848 1.00 0.00 C ATOM 641 NH1 ARG A 44 12.160 2.571 -4.481 1.00 0.00 N ATOM 642 NH2 ARG A 44 12.758 4.393 -3.210 1.00 0.00 N ATOM 0 H ARG A 44 4.808 2.892 -5.907 1.00 0.00 H new ATOM 0 HA ARG A 44 5.523 2.953 -3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.068 2.135 -4.832 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.006 3.662 -5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.033 4.798 -3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.115 3.261 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.650 2.357 -4.540 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.438 3.752 -5.578 1.00 0.00 H new ATOM 0 HE ARG A 44 10.350 4.965 -3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.446 2.031 -4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.129 2.251 -4.479 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.503 5.252 -2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.727 4.073 -3.207 1.00 0.00 H new ATOM 656 N ALA A 45 5.732 5.374 -2.520 1.00 0.00 N ATOM 657 CA ALA A 45 5.706 6.774 -2.113 1.00 0.00 C ATOM 658 C ALA A 45 6.959 7.494 -2.602 1.00 0.00 C ATOM 659 O ALA A 45 7.783 7.956 -1.812 1.00 0.00 O ATOM 660 CB ALA A 45 5.575 6.889 -0.600 1.00 0.00 C ATOM 0 H ALA A 45 5.958 4.723 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 45 4.837 7.250 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.557 7.941 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.650 6.410 -0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.423 6.398 -0.123 1.00 0.00 H new ATOM 962 N ASP A 63 3.953 13.374 -2.457 1.00 0.00 N ATOM 963 CA ASP A 63 2.987 13.519 -1.378 1.00 0.00 C ATOM 964 C ASP A 63 1.718 12.734 -1.692 1.00 0.00 C ATOM 965 O ASP A 63 1.691 11.930 -2.630 1.00 0.00 O ATOM 966 CB ASP A 63 2.646 14.999 -1.174 1.00 0.00 C ATOM 967 CG ASP A 63 1.724 15.540 -2.249 1.00 0.00 C ATOM 968 OD1 ASP A 63 2.017 15.351 -3.445 1.00 0.00 O ATOM 969 OD2 ASP A 63 0.682 16.138 -1.895 1.00 0.00 O ATOM 0 HA ASP A 63 3.427 13.124 -0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.176 15.128 -0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.567 15.582 -1.164 1.00 0.00 H new ATOM 974 N TYR A 64 0.666 12.969 -0.908 1.00 0.00 N ATOM 975 CA TYR A 64 -0.613 12.304 -1.132 1.00 0.00 C ATOM 976 C TYR A 64 -1.129 12.579 -2.540 1.00 0.00 C ATOM 977 O TYR A 64 -1.659 11.683 -3.191 1.00 0.00 O ATOM 978 CB TYR A 64 -1.665 12.749 -0.106 1.00 0.00 C ATOM 979 CG TYR A 64 -3.059 12.244 -0.429 1.00 0.00 C ATOM 980 CD1 TYR A 64 -3.430 10.932 -0.156 1.00 0.00 C ATOM 981 CD2 TYR A 64 -3.994 13.075 -1.036 1.00 0.00 C ATOM 982 CE1 TYR A 64 -4.693 10.466 -0.476 1.00 0.00 C ATOM 983 CE2 TYR A 64 -5.252 12.614 -1.366 1.00 0.00 C ATOM 984 CZ TYR A 64 -5.598 11.311 -1.082 1.00 0.00 C ATOM 985 OH TYR A 64 -6.848 10.848 -1.426 1.00 0.00 O ATOM 0 H TYR A 64 0.676 13.612 -0.116 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.443 11.234 -1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.375 12.391 0.882 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.681 13.838 -0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.721 10.266 0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.731 14.100 -1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.968 9.446 -0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.962 13.272 -1.845 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.988 10.969 -2.388 1.00 0.00 H new ATOM 995 N ARG A 65 -0.966 13.816 -3.001 1.00 0.00 N ATOM 996 CA ARG A 65 -1.470 14.226 -4.305 1.00 0.00 C ATOM 997 C ARG A 65 -0.932 13.342 -5.422 1.00 0.00 C ATOM 998 O ARG A 65 -1.652 13.024 -6.365 1.00 0.00 O ATOM 999 CB ARG A 65 -1.104 15.679 -4.581 1.00 0.00 C ATOM 1000 CG ARG A 65 -1.912 16.679 -3.775 1.00 0.00 C ATOM 1001 CD ARG A 65 -1.415 18.094 -4.004 1.00 0.00 C ATOM 1002 NE ARG A 65 -0.048 18.278 -3.519 1.00 0.00 N ATOM 1003 CZ ARG A 65 0.722 19.317 -3.838 1.00 0.00 C ATOM 1004 NH1 ARG A 65 0.314 20.196 -4.749 1.00 0.00 N ATOM 1005 NH2 ARG A 65 1.913 19.461 -3.272 1.00 0.00 N ATOM 0 H ARG A 65 -0.486 14.554 -2.486 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.555 14.120 -4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.045 15.824 -4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.245 15.884 -5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.964 16.610 -4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.846 16.434 -2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.457 18.325 -5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.077 18.797 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 65 0.340 17.567 -2.898 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.590 20.075 -5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.905 20.991 -4.992 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.240 18.775 -2.591 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.501 20.257 -3.517 1.00 0.00 H new ATOM 1019 N ALA A 66 0.327 12.947 -5.311 1.00 0.00 N ATOM 1020 CA ALA A 66 0.946 12.090 -6.314 1.00 0.00 C ATOM 1021 C ALA A 66 0.341 10.691 -6.292 1.00 0.00 C ATOM 1022 O ALA A 66 0.130 10.079 -7.340 1.00 0.00 O ATOM 1023 CB ALA A 66 2.449 12.029 -6.100 1.00 0.00 C ATOM 0 H ALA A 66 0.941 13.205 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 66 0.751 12.521 -7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.898 11.385 -6.856 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.869 13.032 -6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.659 11.626 -5.109 1.00 0.00 H new ATOM 1029 N ALA A 67 0.067 10.187 -5.098 1.00 0.00 N ATOM 1030 CA ALA A 67 -0.574 8.889 -4.954 1.00 0.00 C ATOM 1031 C ALA A 67 -2.023 8.964 -5.423 1.00 0.00 C ATOM 1032 O ALA A 67 -2.524 8.053 -6.081 1.00 0.00 O ATOM 1033 CB ALA A 67 -0.503 8.421 -3.510 1.00 0.00 C ATOM 0 H ALA A 67 0.278 10.656 -4.217 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.045 8.166 -5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.987 7.449 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.540 8.337 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.011 9.141 -2.869 1.00 0.00 H new ATOM 1039 N ASP A 68 -2.668 10.075 -5.090 1.00 0.00 N ATOM 1040 CA ASP A 68 -4.065 10.314 -5.438 1.00 0.00 C ATOM 1041 C ASP A 68 -4.232 10.441 -6.946 1.00 0.00 C ATOM 1042 O ASP A 68 -5.146 9.853 -7.531 1.00 0.00 O ATOM 1043 CB ASP A 68 -4.553 11.591 -4.747 1.00 0.00 C ATOM 1044 CG ASP A 68 -6.025 11.880 -4.980 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -6.871 11.358 -4.220 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -6.343 12.665 -5.898 1.00 0.00 O ATOM 0 H ASP A 68 -2.237 10.839 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.660 9.466 -5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.372 11.507 -3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.964 12.436 -5.104 1.00 0.00 H new ATOM 1051 N ALA A 69 -3.329 11.194 -7.574 1.00 0.00 N ATOM 1052 CA ALA A 69 -3.384 11.422 -9.013 1.00 0.00 C ATOM 1053 C ALA A 69 -3.265 10.111 -9.779 1.00 0.00 C ATOM 1054 O ALA A 69 -4.127 9.782 -10.589 1.00 0.00 O ATOM 1055 CB ALA A 69 -2.288 12.389 -9.444 1.00 0.00 C ATOM 0 H ALA A 69 -2.550 11.656 -7.105 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.352 11.865 -9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.345 12.547 -10.521 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.420 13.341 -8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.314 11.972 -9.190 1.00 0.00 H new ATOM 1061 N ALA A 70 -2.215 9.350 -9.486 1.00 0.00 N ATOM 1062 CA ALA A 70 -1.969 8.085 -10.174 1.00 0.00 C ATOM 1063 C ALA A 70 -3.095 7.090 -9.914 1.00 0.00 C ATOM 1064 O ALA A 70 -3.449 6.295 -10.785 1.00 0.00 O ATOM 1065 CB ALA A 70 -0.635 7.499 -9.741 1.00 0.00 C ATOM 0 H ALA A 70 -1.521 9.586 -8.777 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.935 8.284 -11.245 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.465 6.557 -10.262 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.166 8.198 -9.985 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.647 7.322 -8.666 1.00 0.00 H new ATOM 1071 N ALA A 71 -3.656 7.139 -8.713 1.00 0.00 N ATOM 1072 CA ALA A 71 -4.788 6.293 -8.373 1.00 0.00 C ATOM 1073 C ALA A 71 -5.977 6.629 -9.261 1.00 0.00 C ATOM 1074 O ALA A 71 -6.579 5.742 -9.862 1.00 0.00 O ATOM 1075 CB ALA A 71 -5.156 6.451 -6.905 1.00 0.00 C ATOM 0 H ALA A 71 -3.345 7.754 -7.961 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.508 5.253 -8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.006 5.809 -6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.306 6.168 -6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.420 7.490 -6.706 1.00 0.00 H new ATOM 1081 N GLN A 72 -6.285 7.915 -9.367 1.00 0.00 N ATOM 1082 CA GLN A 72 -7.402 8.374 -10.182 1.00 0.00 C ATOM 1083 C GLN A 72 -7.142 8.144 -11.669 1.00 0.00 C ATOM 1084 O GLN A 72 -8.074 7.893 -12.434 1.00 0.00 O ATOM 1085 CB GLN A 72 -7.688 9.849 -9.908 1.00 0.00 C ATOM 1086 CG GLN A 72 -8.266 10.104 -8.526 1.00 0.00 C ATOM 1087 CD GLN A 72 -9.606 9.419 -8.325 1.00 0.00 C ATOM 1088 OE1 GLN A 72 -10.655 9.993 -8.604 1.00 0.00 O ATOM 1089 NE2 GLN A 72 -9.584 8.185 -7.845 1.00 0.00 N ATOM 0 H GLN A 72 -5.774 8.662 -8.896 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.279 7.789 -9.907 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.764 10.417 -10.018 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.384 10.222 -10.659 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.564 9.752 -7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.383 11.177 -8.376 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.693 7.739 -7.624 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.458 7.680 -7.696 1.00 0.00 H new ATOM 1098 N GLU A 73 -5.877 8.233 -12.076 1.00 0.00 N ATOM 1099 CA GLU A 73 -5.484 7.930 -13.446 1.00 0.00 C ATOM 1100 C GLU A 73 -5.810 6.483 -13.795 1.00 0.00 C ATOM 1101 O GLU A 73 -6.260 6.181 -14.901 1.00 0.00 O ATOM 1102 CB GLU A 73 -3.988 8.192 -13.637 1.00 0.00 C ATOM 1103 CG GLU A 73 -3.616 9.664 -13.601 1.00 0.00 C ATOM 1104 CD GLU A 73 -2.171 9.917 -13.988 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -1.266 9.419 -13.288 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -1.939 10.614 -15.002 1.00 0.00 O ATOM 0 H GLU A 73 -5.105 8.514 -11.471 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.047 8.581 -14.115 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.434 7.667 -12.859 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.673 7.770 -14.592 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.270 10.215 -14.277 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.792 10.054 -12.598 1.00 0.00 H new ATOM 1113 N GLN A 74 -5.587 5.604 -12.833 1.00 0.00 N ATOM 1114 CA GLN A 74 -5.846 4.184 -13.004 1.00 0.00 C ATOM 1115 C GLN A 74 -7.320 3.846 -12.767 1.00 0.00 C ATOM 1116 O GLN A 74 -7.850 2.901 -13.355 1.00 0.00 O ATOM 1117 CB GLN A 74 -4.964 3.393 -12.042 1.00 0.00 C ATOM 1118 CG GLN A 74 -3.487 3.423 -12.407 1.00 0.00 C ATOM 1119 CD GLN A 74 -2.593 2.861 -11.316 1.00 0.00 C ATOM 1120 OE1 GLN A 74 -2.965 3.083 -10.065 1.00 0.00 O flip ATOM 1121 NE2 GLN A 74 -1.558 2.256 -11.594 1.00 0.00 N flip ATOM 0 H GLN A 74 -5.222 5.853 -11.914 1.00 0.00 H new ATOM 0 HA GLN A 74 -5.610 3.913 -14.033 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.089 3.792 -11.035 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -5.303 2.357 -12.019 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.334 2.853 -13.324 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.191 4.451 -12.617 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.303 2.103 -12.570 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.955 1.907 -10.849 1.00 0.00 H new ATOM 1130 N GLY A 75 -7.974 4.614 -11.908 1.00 0.00 N ATOM 1131 CA GLY A 75 -9.370 4.364 -11.590 1.00 0.00 C ATOM 1132 C GLY A 75 -9.538 3.719 -10.229 1.00 0.00 C ATOM 1133 O GLY A 75 -10.512 3.013 -9.979 1.00 0.00 O ATOM 0 H GLY A 75 -7.563 5.411 -11.422 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.921 5.304 -11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.805 3.718 -12.353 1.00 0.00 H new ATOM 1137 N LEU A 76 -8.575 3.963 -9.352 1.00 0.00 N ATOM 1138 CA LEU A 76 -8.578 3.402 -8.009 1.00 0.00 C ATOM 1139 C LEU A 76 -8.423 4.523 -6.985 1.00 0.00 C ATOM 1140 O LEU A 76 -8.272 5.687 -7.360 1.00 0.00 O ATOM 1141 CB LEU A 76 -7.420 2.411 -7.862 1.00 0.00 C ATOM 1142 CG LEU A 76 -7.383 1.271 -8.886 1.00 0.00 C ATOM 1143 CD1 LEU A 76 -6.132 0.430 -8.699 1.00 0.00 C ATOM 1144 CD2 LEU A 76 -8.625 0.401 -8.771 1.00 0.00 C ATOM 0 H LEU A 76 -7.769 4.556 -9.552 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.521 2.883 -7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.483 2.964 -7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.464 1.976 -6.864 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.363 1.711 -9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.121 -0.375 -9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.250 1.056 -8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.126 0.005 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.577 -0.401 -9.507 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.678 -0.028 -7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.512 1.008 -8.953 1.00 0.00 H new ATOM 1156 N ASP A 77 -8.455 4.181 -5.708 1.00 0.00 N ATOM 1157 CA ASP A 77 -8.170 5.149 -4.658 1.00 0.00 C ATOM 1158 C ASP A 77 -7.226 4.542 -3.627 1.00 0.00 C ATOM 1159 O ASP A 77 -6.873 3.362 -3.716 1.00 0.00 O ATOM 1160 CB ASP A 77 -9.458 5.655 -3.989 1.00 0.00 C ATOM 1161 CG ASP A 77 -10.158 4.618 -3.130 1.00 0.00 C ATOM 1162 OD1 ASP A 77 -10.928 3.804 -3.678 1.00 0.00 O ATOM 1163 OD2 ASP A 77 -9.969 4.645 -1.895 1.00 0.00 O ATOM 0 H ASP A 77 -8.675 3.243 -5.372 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.684 6.010 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.218 6.521 -3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.147 5.996 -4.762 1.00 0.00 H new ATOM 1168 N VAL A 78 -6.803 5.355 -2.667 1.00 0.00 N ATOM 1169 CA VAL A 78 -5.840 4.920 -1.662 1.00 0.00 C ATOM 1170 C VAL A 78 -6.552 4.218 -0.512 1.00 0.00 C ATOM 1171 O VAL A 78 -7.170 4.862 0.335 1.00 0.00 O ATOM 1172 CB VAL A 78 -5.018 6.107 -1.111 1.00 0.00 C ATOM 1173 CG1 VAL A 78 -3.882 5.611 -0.226 1.00 0.00 C ATOM 1174 CG2 VAL A 78 -4.482 6.969 -2.251 1.00 0.00 C ATOM 0 H VAL A 78 -7.112 6.321 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.156 4.224 -2.147 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.678 6.724 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.316 6.463 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.293 5.048 0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.223 4.966 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.907 7.799 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.841 6.365 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.316 7.360 -2.835 1.00 0.00 H new ATOM 1184 N VAL A 79 -6.463 2.898 -0.486 1.00 0.00 N ATOM 1185 CA VAL A 79 -7.177 2.105 0.507 1.00 0.00 C ATOM 1186 C VAL A 79 -6.262 1.674 1.651 1.00 0.00 C ATOM 1187 O VAL A 79 -6.672 0.928 2.541 1.00 0.00 O ATOM 1188 CB VAL A 79 -7.827 0.856 -0.130 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -8.889 1.262 -1.138 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -6.778 -0.029 -0.786 1.00 0.00 C ATOM 0 H VAL A 79 -5.904 2.351 -1.141 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.961 2.746 0.911 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.305 0.282 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.335 0.369 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.662 1.846 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.433 1.863 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.262 -0.901 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.263 0.533 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.056 -0.354 -0.037 1.00 0.00 H new ATOM 1200 N GLY A 80 -5.025 2.146 1.642 1.00 0.00 N ATOM 1201 CA GLY A 80 -4.117 1.805 2.717 1.00 0.00 C ATOM 1202 C GLY A 80 -2.694 2.226 2.440 1.00 0.00 C ATOM 1203 O GLY A 80 -2.423 2.920 1.460 1.00 0.00 O ATOM 0 H GLY A 80 -4.637 2.752 0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.458 2.278 3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.146 0.728 2.883 1.00 0.00 H new ATOM 1207 N VAL A 81 -1.787 1.801 3.307 1.00 0.00 N ATOM 1208 CA VAL A 81 -0.373 2.125 3.181 1.00 0.00 C ATOM 1209 C VAL A 81 0.455 0.892 3.517 1.00 0.00 C ATOM 1210 O VAL A 81 0.038 0.063 4.320 1.00 0.00 O ATOM 1211 CB VAL A 81 0.052 3.264 4.141 1.00 0.00 C ATOM 1212 CG1 VAL A 81 1.361 3.900 3.704 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -1.037 4.319 4.286 1.00 0.00 C ATOM 0 H VAL A 81 -2.010 1.222 4.117 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.204 2.454 2.156 1.00 0.00 H new ATOM 0 HB VAL A 81 0.206 2.811 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.629 4.695 4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.147 3.145 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.247 4.317 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.699 5.100 4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.252 4.756 3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.941 3.857 4.683 1.00 0.00 H new ATOM 1223 N TYR A 82 1.628 0.781 2.927 1.00 0.00 N ATOM 1224 CA TYR A 82 2.519 -0.331 3.219 1.00 0.00 C ATOM 1225 C TYR A 82 3.944 0.177 3.366 1.00 0.00 C ATOM 1226 O TYR A 82 4.395 1.028 2.599 1.00 0.00 O ATOM 1227 CB TYR A 82 2.431 -1.431 2.144 1.00 0.00 C ATOM 1228 CG TYR A 82 3.003 -1.062 0.787 1.00 0.00 C ATOM 1229 CD1 TYR A 82 2.228 -0.421 -0.169 1.00 0.00 C ATOM 1230 CD2 TYR A 82 4.319 -1.372 0.461 1.00 0.00 C ATOM 1231 CE1 TYR A 82 2.747 -0.095 -1.409 1.00 0.00 C ATOM 1232 CE2 TYR A 82 4.845 -1.049 -0.776 1.00 0.00 C ATOM 1233 CZ TYR A 82 4.054 -0.411 -1.708 1.00 0.00 C ATOM 1234 OH TYR A 82 4.573 -0.084 -2.942 1.00 0.00 O ATOM 0 H TYR A 82 1.989 1.445 2.242 1.00 0.00 H new ATOM 0 HA TYR A 82 2.205 -0.782 4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.951 -2.316 2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.384 -1.707 2.015 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.202 -0.172 0.059 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.941 -1.874 1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.130 0.406 -2.140 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.870 -1.295 -1.011 1.00 0.00 H new ATOM 0 HH TYR A 82 5.507 -0.375 -2.991 1.00 0.00 H new ATOM 1244 N HIS A 83 4.646 -0.317 4.371 1.00 0.00 N ATOM 1245 CA HIS A 83 6.000 0.136 4.635 1.00 0.00 C ATOM 1246 C HIS A 83 6.851 -0.980 5.218 1.00 0.00 C ATOM 1247 O HIS A 83 6.406 -1.726 6.092 1.00 0.00 O ATOM 1248 CB HIS A 83 6.000 1.367 5.555 1.00 0.00 C ATOM 1249 CG HIS A 83 5.243 1.194 6.838 1.00 0.00 C ATOM 1250 ND1 HIS A 83 3.902 1.488 6.967 1.00 0.00 N ATOM 1251 CD2 HIS A 83 5.652 0.785 8.059 1.00 0.00 C ATOM 1252 CE1 HIS A 83 3.526 1.271 8.212 1.00 0.00 C ATOM 1253 NE2 HIS A 83 4.570 0.845 8.898 1.00 0.00 N ATOM 0 H HIS A 83 4.302 -1.029 5.015 1.00 0.00 H new ATOM 0 HA HIS A 83 6.443 0.428 3.683 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.032 1.627 5.791 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.576 2.210 5.010 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.650 0.468 8.325 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.531 1.417 8.605 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.571 0.601 9.888 1.00 0.00 H new ATOM 1262 N SER A 84 8.073 -1.079 4.727 1.00 0.00 N ATOM 1263 CA SER A 84 8.989 -2.126 5.137 1.00 0.00 C ATOM 1264 C SER A 84 10.082 -1.557 6.038 1.00 0.00 C ATOM 1265 O SER A 84 10.584 -0.463 5.787 1.00 0.00 O ATOM 1266 CB SER A 84 9.630 -2.744 3.894 1.00 0.00 C ATOM 1267 OG SER A 84 8.681 -2.889 2.850 1.00 0.00 O ATOM 0 H SER A 84 8.457 -0.437 4.034 1.00 0.00 H new ATOM 0 HA SER A 84 8.436 -2.884 5.692 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.455 -2.116 3.556 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.052 -3.717 4.144 1.00 0.00 H new ATOM 0 HG SER A 84 9.069 -3.426 2.128 1.00 0.00 H new ATOM 1273 N HIS A 85 10.424 -2.288 7.097 1.00 0.00 N ATOM 1274 CA HIS A 85 11.589 -1.949 7.911 1.00 0.00 C ATOM 1275 C HIS A 85 11.956 -3.096 8.851 1.00 0.00 C ATOM 1276 O HIS A 85 11.077 -3.770 9.392 1.00 0.00 O ATOM 1277 CB HIS A 85 11.375 -0.643 8.717 1.00 0.00 C ATOM 1278 CG HIS A 85 10.180 -0.615 9.640 1.00 0.00 C ATOM 1279 ND1 HIS A 85 9.845 -1.641 10.496 1.00 0.00 N ATOM 1280 CD2 HIS A 85 9.258 0.357 9.854 1.00 0.00 C ATOM 1281 CE1 HIS A 85 8.776 -1.302 11.195 1.00 0.00 C ATOM 1282 NE2 HIS A 85 8.397 -0.094 10.827 1.00 0.00 N ATOM 0 H HIS A 85 9.914 -3.114 7.410 1.00 0.00 H new ATOM 0 HA HIS A 85 12.417 -1.782 7.222 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.270 -0.457 9.310 1.00 0.00 H new ATOM 0 HB3 HIS A 85 11.282 0.183 8.012 1.00 0.00 H new ATOM 0 HD1 HIS A 85 10.345 -2.526 10.578 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.209 1.312 9.351 1.00 0.00 H new ATOM 0 HE1 HIS A 85 8.293 -1.913 11.943 1.00 0.00 H new ATOM 0 HE2 HIS A 85 7.599 0.420 11.201 1.00 0.00 H new ATOM 1291 N PRO A 86 13.259 -3.327 9.050 1.00 0.00 N ATOM 1292 CA PRO A 86 13.768 -4.252 10.051 1.00 0.00 C ATOM 1293 C PRO A 86 13.967 -3.532 11.378 1.00 0.00 C ATOM 1294 O PRO A 86 14.782 -2.613 11.476 1.00 0.00 O ATOM 1295 CB PRO A 86 15.115 -4.710 9.469 1.00 0.00 C ATOM 1296 CG PRO A 86 15.364 -3.859 8.256 1.00 0.00 C ATOM 1297 CD PRO A 86 14.359 -2.738 8.289 1.00 0.00 C ATOM 0 HA PRO A 86 13.093 -5.084 10.251 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.915 -4.589 10.199 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.084 -5.766 9.203 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.380 -3.466 8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.256 -4.447 7.344 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.759 -1.848 8.775 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.048 -2.442 7.287 1.00 0.00 H new ATOM 1305 N ASP A 87 13.224 -3.940 12.393 1.00 0.00 N ATOM 1306 CA ASP A 87 13.173 -3.183 13.637 1.00 0.00 C ATOM 1307 C ASP A 87 12.555 -4.018 14.750 1.00 0.00 C ATOM 1308 O ASP A 87 13.147 -4.210 15.813 1.00 0.00 O ATOM 1309 CB ASP A 87 12.354 -1.906 13.415 1.00 0.00 C ATOM 1310 CG ASP A 87 12.444 -0.933 14.566 1.00 0.00 C ATOM 1311 OD1 ASP A 87 11.662 -1.066 15.524 1.00 0.00 O ATOM 1312 OD2 ASP A 87 13.285 -0.015 14.506 1.00 0.00 O ATOM 0 H ASP A 87 12.651 -4.784 12.383 1.00 0.00 H new ATOM 0 HA ASP A 87 14.187 -2.920 13.937 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.699 -1.415 12.505 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.310 -2.175 13.256 1.00 0.00 H new ATOM 1317 N HIS A 88 11.357 -4.513 14.490 1.00 0.00 N ATOM 1318 CA HIS A 88 10.635 -5.354 15.433 1.00 0.00 C ATOM 1319 C HIS A 88 9.917 -6.455 14.666 1.00 0.00 C ATOM 1320 O HIS A 88 9.604 -6.275 13.488 1.00 0.00 O ATOM 1321 CB HIS A 88 9.639 -4.526 16.255 1.00 0.00 C ATOM 1322 CG HIS A 88 10.248 -3.850 17.452 1.00 0.00 C ATOM 1323 ND1 HIS A 88 10.895 -2.638 17.390 1.00 0.00 N ATOM 1324 CD2 HIS A 88 10.291 -4.225 18.753 1.00 0.00 C ATOM 1325 CE1 HIS A 88 11.309 -2.297 18.595 1.00 0.00 C ATOM 1326 NE2 HIS A 88 10.952 -3.240 19.443 1.00 0.00 N ATOM 0 H HIS A 88 10.856 -4.344 13.618 1.00 0.00 H new ATOM 0 HA HIS A 88 11.343 -5.801 16.131 1.00 0.00 H new ATOM 0 HB2 HIS A 88 9.193 -3.769 15.611 1.00 0.00 H new ATOM 0 HB3 HIS A 88 8.831 -5.176 16.590 1.00 0.00 H new ATOM 0 HD1 HIS A 88 11.033 -2.087 16.543 1.00 0.00 H new ATOM 0 HD2 HIS A 88 9.880 -5.132 19.171 1.00 0.00 H new ATOM 0 HE1 HIS A 88 11.850 -1.396 18.845 1.00 0.00 H new ATOM 1335 N PRO A 89 9.639 -7.598 15.320 1.00 0.00 N ATOM 1336 CA PRO A 89 9.127 -8.797 14.642 1.00 0.00 C ATOM 1337 C PRO A 89 7.716 -8.628 14.087 1.00 0.00 C ATOM 1338 O PRO A 89 6.733 -8.978 14.743 1.00 0.00 O ATOM 1339 CB PRO A 89 9.153 -9.872 15.734 1.00 0.00 C ATOM 1340 CG PRO A 89 9.103 -9.122 17.020 1.00 0.00 C ATOM 1341 CD PRO A 89 9.797 -7.811 16.770 1.00 0.00 C ATOM 0 HA PRO A 89 9.731 -9.040 13.768 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.305 -10.550 15.640 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.055 -10.480 15.667 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.073 -8.962 17.337 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.599 -9.679 17.815 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.344 -7.003 17.344 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.848 -7.854 17.055 1.00 0.00 H new ATOM 1349 N ALA A 90 7.640 -8.055 12.887 1.00 0.00 N ATOM 1350 CA ALA A 90 6.385 -7.895 12.151 1.00 0.00 C ATOM 1351 C ALA A 90 5.353 -7.086 12.934 1.00 0.00 C ATOM 1352 O ALA A 90 4.153 -7.183 12.684 1.00 0.00 O ATOM 1353 CB ALA A 90 5.829 -9.254 11.758 1.00 0.00 C ATOM 0 H ALA A 90 8.453 -7.686 12.394 1.00 0.00 H new ATOM 0 HA ALA A 90 6.605 -7.329 11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.895 -9.121 11.211 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.549 -9.773 11.125 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.643 -9.844 12.655 1.00 0.00 H new ATOM 1359 N ARG A 91 5.827 -6.274 13.866 1.00 0.00 N ATOM 1360 CA ARG A 91 4.960 -5.379 14.610 1.00 0.00 C ATOM 1361 C ARG A 91 5.511 -3.960 14.515 1.00 0.00 C ATOM 1362 O ARG A 91 6.717 -3.776 14.333 1.00 0.00 O ATOM 1363 CB ARG A 91 4.814 -5.842 16.075 1.00 0.00 C ATOM 1364 CG ARG A 91 6.100 -5.823 16.890 1.00 0.00 C ATOM 1365 CD ARG A 91 6.273 -4.514 17.653 1.00 0.00 C ATOM 1366 NE ARG A 91 5.318 -4.374 18.757 1.00 0.00 N ATOM 1367 CZ ARG A 91 5.080 -3.225 19.402 1.00 0.00 C ATOM 1368 NH1 ARG A 91 5.640 -2.095 19.002 1.00 0.00 N ATOM 1369 NH2 ARG A 91 4.253 -3.206 20.437 1.00 0.00 N ATOM 0 H ARG A 91 6.812 -6.218 14.125 1.00 0.00 H new ATOM 0 HA ARG A 91 3.960 -5.395 14.177 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.080 -5.206 16.569 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.413 -6.856 16.081 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.095 -6.655 17.594 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.952 -5.971 16.227 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.288 -4.459 18.046 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.152 -3.678 16.964 1.00 0.00 H new ATOM 0 HE ARG A 91 4.803 -5.204 19.052 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.262 -2.092 18.193 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.450 -1.227 19.502 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.798 -4.066 20.742 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.071 -2.331 20.929 1.00 0.00 H new ATOM 1383 N PRO A 92 4.635 -2.948 14.614 1.00 0.00 N ATOM 1384 CA PRO A 92 5.021 -1.537 14.477 1.00 0.00 C ATOM 1385 C PRO A 92 6.121 -1.125 15.451 1.00 0.00 C ATOM 1386 O PRO A 92 6.297 -1.733 16.503 1.00 0.00 O ATOM 1387 CB PRO A 92 3.721 -0.774 14.780 1.00 0.00 C ATOM 1388 CG PRO A 92 2.826 -1.763 15.445 1.00 0.00 C ATOM 1389 CD PRO A 92 3.198 -3.097 14.875 1.00 0.00 C ATOM 0 HA PRO A 92 5.433 -1.331 13.489 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.910 0.082 15.428 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.270 -0.389 13.866 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.962 -1.748 16.526 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.778 -1.534 15.252 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.996 -3.907 15.576 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.642 -3.317 13.964 1.00 0.00 H new ATOM 1397 N SER A 93 6.868 -0.103 15.087 1.00 0.00 N ATOM 1398 CA SER A 93 7.894 0.434 15.958 1.00 0.00 C ATOM 1399 C SER A 93 7.344 1.645 16.703 1.00 0.00 C ATOM 1400 O SER A 93 6.161 1.977 16.567 1.00 0.00 O ATOM 1401 CB SER A 93 9.127 0.825 15.136 1.00 0.00 C ATOM 1402 OG SER A 93 10.236 1.108 15.971 1.00 0.00 O ATOM 0 H SER A 93 6.783 0.375 14.190 1.00 0.00 H new ATOM 0 HA SER A 93 8.189 -0.325 16.683 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.382 0.016 14.452 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.897 1.698 14.525 1.00 0.00 H new ATOM 0 HG SER A 93 10.784 0.302 16.071 1.00 0.00 H new ATOM 1408 N ALA A 94 8.191 2.305 17.481 1.00 0.00 N ATOM 1409 CA ALA A 94 7.797 3.519 18.177 1.00 0.00 C ATOM 1410 C ALA A 94 7.379 4.580 17.169 1.00 0.00 C ATOM 1411 O ALA A 94 6.363 5.249 17.339 1.00 0.00 O ATOM 1412 CB ALA A 94 8.932 4.028 19.053 1.00 0.00 C ATOM 0 H ALA A 94 9.156 2.019 17.645 1.00 0.00 H new ATOM 0 HA ALA A 94 6.948 3.294 18.823 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.617 4.937 19.565 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.192 3.268 19.790 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.802 4.244 18.433 1.00 0.00 H new ATOM 1418 N THR A 95 8.161 4.695 16.102 1.00 0.00 N ATOM 1419 CA THR A 95 7.896 5.649 15.035 1.00 0.00 C ATOM 1420 C THR A 95 6.549 5.368 14.367 1.00 0.00 C ATOM 1421 O THR A 95 5.800 6.294 14.047 1.00 0.00 O ATOM 1422 CB THR A 95 9.016 5.581 13.979 1.00 0.00 C ATOM 1423 OG1 THR A 95 10.290 5.542 14.638 1.00 0.00 O ATOM 1424 CG2 THR A 95 8.965 6.777 13.042 1.00 0.00 C ATOM 0 H THR A 95 8.996 4.129 15.953 1.00 0.00 H new ATOM 0 HA THR A 95 7.864 6.646 15.474 1.00 0.00 H new ATOM 0 HB THR A 95 8.873 4.678 13.386 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.004 5.497 13.968 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.768 6.699 12.309 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.004 6.795 12.527 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.086 7.695 13.617 1.00 0.00 H new ATOM 1432 N ASP A 96 6.240 4.084 14.180 1.00 0.00 N ATOM 1433 CA ASP A 96 4.967 3.677 13.585 1.00 0.00 C ATOM 1434 C ASP A 96 3.806 4.181 14.431 1.00 0.00 C ATOM 1435 O ASP A 96 2.819 4.690 13.908 1.00 0.00 O ATOM 1436 CB ASP A 96 4.874 2.152 13.459 1.00 0.00 C ATOM 1437 CG ASP A 96 5.783 1.566 12.393 1.00 0.00 C ATOM 1438 OD1 ASP A 96 6.957 1.267 12.696 1.00 0.00 O ATOM 1439 OD2 ASP A 96 5.319 1.370 11.255 1.00 0.00 O ATOM 0 H ASP A 96 6.853 3.309 14.432 1.00 0.00 H new ATOM 0 HA ASP A 96 4.914 4.114 12.588 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.121 1.702 14.421 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.843 1.878 13.234 1.00 0.00 H new ATOM 1444 N LEU A 97 3.944 4.040 15.742 1.00 0.00 N ATOM 1445 CA LEU A 97 2.927 4.493 16.683 1.00 0.00 C ATOM 1446 C LEU A 97 2.827 6.018 16.642 1.00 0.00 C ATOM 1447 O LEU A 97 1.735 6.586 16.586 1.00 0.00 O ATOM 1448 CB LEU A 97 3.297 4.018 18.101 1.00 0.00 C ATOM 1449 CG LEU A 97 2.146 3.878 19.113 1.00 0.00 C ATOM 1450 CD1 LEU A 97 1.496 5.218 19.426 1.00 0.00 C ATOM 1451 CD2 LEU A 97 1.108 2.890 18.608 1.00 0.00 C ATOM 0 H LEU A 97 4.758 3.611 16.182 1.00 0.00 H new ATOM 0 HA LEU A 97 1.959 4.073 16.408 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.793 3.051 18.016 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.027 4.715 18.512 1.00 0.00 H new ATOM 0 HG LEU A 97 2.575 3.498 20.040 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.689 5.072 20.144 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.240 5.893 19.848 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.093 5.650 18.510 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.302 2.804 19.337 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.703 3.241 17.659 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.573 1.915 18.465 1.00 0.00 H new ATOM 1463 N GLU A 98 3.987 6.663 16.646 1.00 0.00 N ATOM 1464 CA GLU A 98 4.082 8.119 16.695 1.00 0.00 C ATOM 1465 C GLU A 98 3.407 8.795 15.502 1.00 0.00 C ATOM 1466 O GLU A 98 2.765 9.835 15.653 1.00 0.00 O ATOM 1467 CB GLU A 98 5.552 8.536 16.748 1.00 0.00 C ATOM 1468 CG GLU A 98 6.228 8.244 18.074 1.00 0.00 C ATOM 1469 CD GLU A 98 7.664 8.718 18.095 1.00 0.00 C ATOM 1470 OE1 GLU A 98 8.561 7.943 17.712 1.00 0.00 O ATOM 1471 OE2 GLU A 98 7.902 9.876 18.492 1.00 0.00 O ATOM 0 H GLU A 98 4.891 6.191 16.615 1.00 0.00 H new ATOM 0 HA GLU A 98 3.558 8.444 17.594 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.094 8.022 15.954 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.624 9.604 16.543 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.674 8.729 18.878 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.197 7.172 18.268 1.00 0.00 H new ATOM 1478 N GLU A 99 3.544 8.214 14.322 1.00 0.00 N ATOM 1479 CA GLU A 99 3.084 8.870 13.107 1.00 0.00 C ATOM 1480 C GLU A 99 1.857 8.189 12.504 1.00 0.00 C ATOM 1481 O GLU A 99 1.550 8.376 11.326 1.00 0.00 O ATOM 1482 CB GLU A 99 4.226 8.939 12.097 1.00 0.00 C ATOM 1483 CG GLU A 99 5.359 9.835 12.566 1.00 0.00 C ATOM 1484 CD GLU A 99 6.518 9.888 11.600 1.00 0.00 C ATOM 1485 OE1 GLU A 99 6.361 10.466 10.507 1.00 0.00 O ATOM 1486 OE2 GLU A 99 7.599 9.374 11.942 1.00 0.00 O ATOM 0 H GLU A 99 3.966 7.297 14.178 1.00 0.00 H new ATOM 0 HA GLU A 99 2.774 9.881 13.370 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.611 7.935 11.918 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.844 9.308 11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.976 10.844 12.718 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.717 9.481 13.533 1.00 0.00 H new ATOM 1493 N ALA A 100 1.141 7.427 13.313 1.00 0.00 N ATOM 1494 CA ALA A 100 -0.111 6.833 12.873 1.00 0.00 C ATOM 1495 C ALA A 100 -1.293 7.516 13.548 1.00 0.00 C ATOM 1496 O ALA A 100 -1.560 7.299 14.730 1.00 0.00 O ATOM 1497 CB ALA A 100 -0.127 5.341 13.153 1.00 0.00 C ATOM 0 H ALA A 100 1.403 7.205 14.274 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.197 6.979 11.796 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.073 4.918 12.816 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.695 4.862 12.621 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.015 5.171 14.224 1.00 0.00 H new ATOM 1503 N THR A 101 -1.979 8.374 12.807 1.00 0.00 N ATOM 1504 CA THR A 101 -3.127 9.092 13.344 1.00 0.00 C ATOM 1505 C THR A 101 -4.219 9.239 12.277 1.00 0.00 C ATOM 1506 O THR A 101 -5.101 10.088 12.382 1.00 0.00 O ATOM 1507 CB THR A 101 -2.709 10.488 13.860 1.00 0.00 C ATOM 1508 OG1 THR A 101 -1.441 10.404 14.527 1.00 0.00 O ATOM 1509 CG2 THR A 101 -3.743 11.051 14.830 1.00 0.00 C ATOM 0 H THR A 101 -1.762 8.590 11.834 1.00 0.00 H new ATOM 0 HA THR A 101 -3.523 8.514 14.179 1.00 0.00 H new ATOM 0 HB THR A 101 -2.636 11.153 12.999 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.182 11.292 14.850 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.421 12.033 15.175 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.705 11.141 14.325 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.843 10.381 15.684 1.00 0.00 H new ATOM 1517 N PHE A 102 -4.173 8.391 11.257 1.00 0.00 N ATOM 1518 CA PHE A 102 -5.144 8.472 10.171 1.00 0.00 C ATOM 1519 C PHE A 102 -5.762 7.102 9.873 1.00 0.00 C ATOM 1520 O PHE A 102 -5.268 6.346 9.034 1.00 0.00 O ATOM 1521 CB PHE A 102 -4.521 9.106 8.909 1.00 0.00 C ATOM 1522 CG PHE A 102 -3.222 8.496 8.451 1.00 0.00 C ATOM 1523 CD1 PHE A 102 -2.038 8.762 9.122 1.00 0.00 C ATOM 1524 CD2 PHE A 102 -3.185 7.670 7.339 1.00 0.00 C ATOM 1525 CE1 PHE A 102 -0.846 8.212 8.695 1.00 0.00 C ATOM 1526 CE2 PHE A 102 -1.995 7.119 6.907 1.00 0.00 C ATOM 1527 CZ PHE A 102 -0.824 7.391 7.586 1.00 0.00 C ATOM 0 H PHE A 102 -3.482 7.647 11.158 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.953 9.127 10.496 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.242 9.036 8.095 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.357 10.167 9.100 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.049 9.407 9.988 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.098 7.455 6.804 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.069 8.424 9.229 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.980 6.476 6.039 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.108 6.962 7.250 1.00 0.00 H new ATOM 1537 N PRO A 103 -6.835 6.751 10.604 1.00 0.00 N ATOM 1538 CA PRO A 103 -7.541 5.476 10.432 1.00 0.00 C ATOM 1539 C PRO A 103 -8.256 5.390 9.084 1.00 0.00 C ATOM 1540 O PRO A 103 -8.241 6.336 8.295 1.00 0.00 O ATOM 1541 CB PRO A 103 -8.564 5.460 11.579 1.00 0.00 C ATOM 1542 CG PRO A 103 -8.138 6.545 12.509 1.00 0.00 C ATOM 1543 CD PRO A 103 -7.449 7.568 11.657 1.00 0.00 C ATOM 0 HA PRO A 103 -6.853 4.630 10.452 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.573 5.636 11.207 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.574 4.493 12.082 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.996 6.978 13.023 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.467 6.160 13.277 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -8.152 8.294 11.248 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.703 8.129 12.221 1.00 0.00 H new ATOM 1551 N GLY A 104 -8.882 4.250 8.821 1.00 0.00 N ATOM 1552 CA GLY A 104 -9.554 4.046 7.551 1.00 0.00 C ATOM 1553 C GLY A 104 -8.630 3.434 6.520 1.00 0.00 C ATOM 1554 O GLY A 104 -9.075 2.830 5.543 1.00 0.00 O ATOM 0 H GLY A 104 -8.937 3.461 9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.418 3.397 7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.931 5.000 7.181 1.00 0.00 H new ATOM 1558 N PHE A 105 -7.339 3.607 6.746 1.00 0.00 N ATOM 1559 CA PHE A 105 -6.318 3.012 5.907 1.00 0.00 C ATOM 1560 C PHE A 105 -5.755 1.771 6.581 1.00 0.00 C ATOM 1561 O PHE A 105 -5.603 1.734 7.803 1.00 0.00 O ATOM 1562 CB PHE A 105 -5.187 4.011 5.644 1.00 0.00 C ATOM 1563 CG PHE A 105 -5.600 5.207 4.832 1.00 0.00 C ATOM 1564 CD1 PHE A 105 -6.187 6.309 5.436 1.00 0.00 C ATOM 1565 CD2 PHE A 105 -5.396 5.229 3.463 1.00 0.00 C ATOM 1566 CE1 PHE A 105 -6.562 7.410 4.687 1.00 0.00 C ATOM 1567 CE2 PHE A 105 -5.769 6.325 2.710 1.00 0.00 C ATOM 1568 CZ PHE A 105 -6.351 7.416 3.322 1.00 0.00 C ATOM 0 H PHE A 105 -6.971 4.164 7.517 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.771 2.736 4.955 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.790 4.354 6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.376 3.497 5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.353 6.308 6.503 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.940 4.379 2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.018 8.262 5.168 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.605 6.328 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.641 8.274 2.734 1.00 0.00 H new ATOM 1578 N THR A 106 -5.451 0.761 5.787 1.00 0.00 N ATOM 1579 CA THR A 106 -4.840 -0.449 6.301 1.00 0.00 C ATOM 1580 C THR A 106 -3.322 -0.327 6.233 1.00 0.00 C ATOM 1581 O THR A 106 -2.761 -0.052 5.172 1.00 0.00 O ATOM 1582 CB THR A 106 -5.299 -1.682 5.495 1.00 0.00 C ATOM 1583 OG1 THR A 106 -6.731 -1.707 5.418 1.00 0.00 O ATOM 1584 CG2 THR A 106 -4.801 -2.973 6.135 1.00 0.00 C ATOM 0 H THR A 106 -5.618 0.756 4.781 1.00 0.00 H new ATOM 0 HA THR A 106 -5.151 -0.579 7.337 1.00 0.00 H new ATOM 0 HB THR A 106 -4.877 -1.609 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.017 -2.491 4.904 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.139 -3.825 5.546 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.712 -2.965 6.169 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.195 -3.053 7.148 1.00 0.00 H new ATOM 1592 N TYR A 107 -2.671 -0.499 7.372 1.00 0.00 N ATOM 1593 CA TYR A 107 -1.223 -0.381 7.448 1.00 0.00 C ATOM 1594 C TYR A 107 -0.573 -1.744 7.285 1.00 0.00 C ATOM 1595 O TYR A 107 -0.660 -2.586 8.171 1.00 0.00 O ATOM 1596 CB TYR A 107 -0.793 0.221 8.790 1.00 0.00 C ATOM 1597 CG TYR A 107 -1.353 1.598 9.070 1.00 0.00 C ATOM 1598 CD1 TYR A 107 -0.906 2.712 8.372 1.00 0.00 C ATOM 1599 CD2 TYR A 107 -2.309 1.784 10.060 1.00 0.00 C ATOM 1600 CE1 TYR A 107 -1.403 3.973 8.647 1.00 0.00 C ATOM 1601 CE2 TYR A 107 -2.812 3.040 10.338 1.00 0.00 C ATOM 1602 CZ TYR A 107 -2.354 4.132 9.634 1.00 0.00 C ATOM 1603 OH TYR A 107 -2.844 5.384 9.925 1.00 0.00 O ATOM 0 H TYR A 107 -3.123 -0.721 8.259 1.00 0.00 H new ATOM 0 HA TYR A 107 -0.900 0.278 6.642 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.101 -0.452 9.590 1.00 0.00 H new ATOM 0 HB3 TYR A 107 0.295 0.273 8.818 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -0.158 2.592 7.602 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.665 0.933 10.622 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -1.049 4.829 8.092 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -3.562 3.166 11.105 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.726 5.494 9.512 1.00 0.00 H new ATOM 1613 N VAL A 108 0.072 -1.963 6.159 1.00 0.00 N ATOM 1614 CA VAL A 108 0.759 -3.221 5.933 1.00 0.00 C ATOM 1615 C VAL A 108 2.222 -3.090 6.305 1.00 0.00 C ATOM 1616 O VAL A 108 2.962 -2.291 5.722 1.00 0.00 O ATOM 1617 CB VAL A 108 0.639 -3.698 4.470 1.00 0.00 C ATOM 1618 CG1 VAL A 108 1.372 -5.020 4.266 1.00 0.00 C ATOM 1619 CG2 VAL A 108 -0.823 -3.834 4.074 1.00 0.00 C ATOM 0 H VAL A 108 0.136 -1.295 5.391 1.00 0.00 H new ATOM 0 HA VAL A 108 0.279 -3.967 6.566 1.00 0.00 H new ATOM 0 HB VAL A 108 1.105 -2.949 3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.272 -5.335 3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.427 -4.892 4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.941 -5.780 4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.890 -4.171 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.310 -4.560 4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.318 -2.868 4.174 1.00 0.00 H new ATOM 1629 N ILE A 109 2.624 -3.857 7.301 1.00 0.00 N ATOM 1630 CA ILE A 109 4.001 -3.883 7.744 1.00 0.00 C ATOM 1631 C ILE A 109 4.614 -5.226 7.390 1.00 0.00 C ATOM 1632 O ILE A 109 4.148 -6.276 7.839 1.00 0.00 O ATOM 1633 CB ILE A 109 4.118 -3.629 9.265 1.00 0.00 C ATOM 1634 CG1 ILE A 109 3.492 -2.273 9.620 1.00 0.00 C ATOM 1635 CG2 ILE A 109 5.579 -3.686 9.710 1.00 0.00 C ATOM 1636 CD1 ILE A 109 3.527 -1.954 11.098 1.00 0.00 C ATOM 0 H ILE A 109 2.005 -4.477 7.823 1.00 0.00 H new ATOM 0 HA ILE A 109 4.540 -3.082 7.238 1.00 0.00 H new ATOM 0 HB ILE A 109 3.575 -4.412 9.795 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.016 -1.487 9.076 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.457 -2.261 9.279 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.640 -3.505 10.783 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.990 -4.670 9.484 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.151 -2.924 9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.067 -0.981 11.271 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.978 -2.718 11.648 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.561 -1.933 11.441 1.00 0.00 H new ATOM 1648 N VAL A 110 5.632 -5.191 6.557 1.00 0.00 N ATOM 1649 CA VAL A 110 6.299 -6.401 6.129 1.00 0.00 C ATOM 1650 C VAL A 110 7.689 -6.476 6.732 1.00 0.00 C ATOM 1651 O VAL A 110 8.430 -5.487 6.756 1.00 0.00 O ATOM 1652 CB VAL A 110 6.366 -6.499 4.584 1.00 0.00 C ATOM 1653 CG1 VAL A 110 6.916 -5.220 3.980 1.00 0.00 C ATOM 1654 CG2 VAL A 110 7.196 -7.697 4.140 1.00 0.00 C ATOM 0 H VAL A 110 6.017 -4.333 6.161 1.00 0.00 H new ATOM 0 HA VAL A 110 5.715 -7.250 6.485 1.00 0.00 H new ATOM 0 HB VAL A 110 5.348 -6.640 4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.952 -5.316 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.271 -4.384 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.921 -5.040 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.223 -7.737 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.211 -7.599 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.748 -8.613 4.526 1.00 0.00 H new ATOM 1664 N SER A 111 8.015 -7.646 7.239 1.00 0.00 N ATOM 1665 CA SER A 111 9.306 -7.880 7.835 1.00 0.00 C ATOM 1666 C SER A 111 10.323 -8.163 6.732 1.00 0.00 C ATOM 1667 O SER A 111 10.279 -9.210 6.090 1.00 0.00 O ATOM 1668 CB SER A 111 9.210 -9.057 8.807 1.00 0.00 C ATOM 1669 OG SER A 111 10.426 -9.260 9.508 1.00 0.00 O ATOM 0 H SER A 111 7.394 -8.455 7.248 1.00 0.00 H new ATOM 0 HA SER A 111 9.631 -7.000 8.391 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.405 -8.876 9.520 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.951 -9.962 8.258 1.00 0.00 H new ATOM 0 HG SER A 111 10.385 -10.109 9.996 1.00 0.00 H new ATOM 1675 N VAL A 112 11.200 -7.210 6.479 1.00 0.00 N ATOM 1676 CA VAL A 112 12.228 -7.374 5.461 1.00 0.00 C ATOM 1677 C VAL A 112 13.594 -7.429 6.115 1.00 0.00 C ATOM 1678 O VAL A 112 14.034 -6.464 6.737 1.00 0.00 O ATOM 1679 CB VAL A 112 12.198 -6.232 4.422 1.00 0.00 C ATOM 1680 CG1 VAL A 112 13.287 -6.426 3.376 1.00 0.00 C ATOM 1681 CG2 VAL A 112 10.831 -6.149 3.761 1.00 0.00 C ATOM 0 H VAL A 112 11.224 -6.313 6.963 1.00 0.00 H new ATOM 0 HA VAL A 112 12.027 -8.308 4.937 1.00 0.00 H new ATOM 0 HB VAL A 112 12.388 -5.293 4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.248 -5.610 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.262 -6.433 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.132 -7.374 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.828 -5.339 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.612 -7.091 3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 112 10.071 -5.958 4.519 1.00 0.00 H new ATOM 1691 N ARG A 113 14.260 -8.557 5.975 1.00 0.00 N ATOM 1692 CA ARG A 113 15.537 -8.758 6.625 1.00 0.00 C ATOM 1693 C ARG A 113 16.658 -8.751 5.604 1.00 0.00 C ATOM 1694 O ARG A 113 17.016 -9.792 5.051 1.00 0.00 O ATOM 1695 CB ARG A 113 15.516 -10.058 7.426 1.00 0.00 C ATOM 1696 CG ARG A 113 14.638 -9.982 8.665 1.00 0.00 C ATOM 1697 CD ARG A 113 14.247 -11.362 9.162 1.00 0.00 C ATOM 1698 NE ARG A 113 15.397 -12.258 9.259 1.00 0.00 N ATOM 1699 CZ ARG A 113 15.312 -13.582 9.157 1.00 0.00 C ATOM 1700 NH1 ARG A 113 14.122 -14.174 9.112 1.00 0.00 N ATOM 1701 NH2 ARG A 113 16.414 -14.321 9.151 1.00 0.00 N ATOM 0 H ARG A 113 13.938 -9.348 5.417 1.00 0.00 H new ATOM 0 HA ARG A 113 15.719 -7.937 7.319 1.00 0.00 H new ATOM 0 HB2 ARG A 113 15.162 -10.866 6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.534 -10.310 7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 113 15.167 -9.448 9.454 1.00 0.00 H new ATOM 0 HG3 ARG A 113 13.739 -9.408 8.439 1.00 0.00 H new ATOM 0 HD2 ARG A 113 13.773 -11.274 10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.508 -11.794 8.487 1.00 0.00 H new ATOM 0 HE ARG A 113 16.317 -11.845 9.414 1.00 0.00 H new ATOM 0 HH11 ARG A 113 13.271 -13.613 9.156 1.00 0.00 H new ATOM 0 HH12 ARG A 113 14.060 -15.189 9.034 1.00 0.00 H new ATOM 0 HH21 ARG A 113 17.328 -13.874 9.225 1.00 0.00 H new ATOM 0 HH22 ARG A 113 16.347 -15.336 9.073 1.00 0.00 H new ATOM 1715 N ASP A 114 17.158 -7.543 5.328 1.00 0.00 N ATOM 1716 CA ASP A 114 18.258 -7.313 4.386 1.00 0.00 C ATOM 1717 C ASP A 114 17.838 -7.620 2.951 1.00 0.00 C ATOM 1718 O ASP A 114 17.664 -6.716 2.135 1.00 0.00 O ATOM 1719 CB ASP A 114 19.490 -8.134 4.771 1.00 0.00 C ATOM 1720 CG ASP A 114 20.686 -7.845 3.886 1.00 0.00 C ATOM 1721 OD1 ASP A 114 21.237 -6.726 3.969 1.00 0.00 O ATOM 1722 OD2 ASP A 114 21.092 -8.744 3.119 1.00 0.00 O ATOM 0 H ASP A 114 16.806 -6.687 5.757 1.00 0.00 H new ATOM 0 HA ASP A 114 18.518 -6.256 4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.752 -7.924 5.808 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.247 -9.195 4.712 1.00 0.00 H new ATOM 1727 N GLY A 115 17.671 -8.890 2.641 1.00 0.00 N ATOM 1728 CA GLY A 115 17.238 -9.273 1.317 1.00 0.00 C ATOM 1729 C GLY A 115 16.148 -10.313 1.363 1.00 0.00 C ATOM 1730 O GLY A 115 15.736 -10.839 0.331 1.00 0.00 O ATOM 0 H GLY A 115 17.828 -9.667 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.878 -8.393 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 115 18.087 -9.661 0.755 1.00 0.00 H new ATOM 1734 N ALA A 116 15.675 -10.607 2.566 1.00 0.00 N ATOM 1735 CA ALA A 116 14.670 -11.637 2.755 1.00 0.00 C ATOM 1736 C ALA A 116 13.360 -11.063 3.273 1.00 0.00 C ATOM 1737 O ALA A 116 13.288 -10.584 4.405 1.00 0.00 O ATOM 1738 CB ALA A 116 15.186 -12.710 3.700 1.00 0.00 C ATOM 0 H ALA A 116 15.973 -10.145 3.425 1.00 0.00 H new ATOM 0 HA ALA A 116 14.470 -12.083 1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 116 14.422 -13.476 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 116 16.085 -13.163 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 116 15.422 -12.262 4.665 1.00 0.00 H new ATOM 1744 N PRO A 117 12.315 -11.072 2.434 1.00 0.00 N ATOM 1745 CA PRO A 117 10.963 -10.718 2.854 1.00 0.00 C ATOM 1746 C PRO A 117 10.357 -11.828 3.704 1.00 0.00 C ATOM 1747 O PRO A 117 9.916 -12.858 3.188 1.00 0.00 O ATOM 1748 CB PRO A 117 10.188 -10.554 1.538 1.00 0.00 C ATOM 1749 CG PRO A 117 11.214 -10.617 0.453 1.00 0.00 C ATOM 1750 CD PRO A 117 12.361 -11.411 1.009 1.00 0.00 C ATOM 0 HA PRO A 117 10.938 -9.816 3.466 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.445 -11.343 1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 117 9.652 -9.605 1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 117 10.808 -11.092 -0.440 1.00 0.00 H new ATOM 0 HG3 PRO A 117 11.537 -9.617 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 117 12.234 -12.481 0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.310 -11.127 0.554 1.00 0.00 H new ATOM 1758 N GLU A 118 10.357 -11.613 5.007 1.00 0.00 N ATOM 1759 CA GLU A 118 9.968 -12.632 5.966 1.00 0.00 C ATOM 1760 C GLU A 118 8.457 -12.846 5.979 1.00 0.00 C ATOM 1761 O GLU A 118 7.968 -13.878 5.515 1.00 0.00 O ATOM 1762 CB GLU A 118 10.470 -12.235 7.355 1.00 0.00 C ATOM 1763 CG GLU A 118 10.187 -13.252 8.445 1.00 0.00 C ATOM 1764 CD GLU A 118 10.793 -12.847 9.771 1.00 0.00 C ATOM 1765 OE1 GLU A 118 10.377 -11.813 10.330 1.00 0.00 O ATOM 1766 OE2 GLU A 118 11.695 -13.557 10.259 1.00 0.00 O ATOM 0 H GLU A 118 10.627 -10.726 5.431 1.00 0.00 H new ATOM 0 HA GLU A 118 10.422 -13.578 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 118 11.546 -12.067 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.012 -11.286 7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.109 -13.370 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.583 -14.223 8.147 1.00 0.00 H new ATOM 1773 N ALA A 119 7.721 -11.871 6.491 1.00 0.00 N ATOM 1774 CA ALA A 119 6.282 -12.025 6.660 1.00 0.00 C ATOM 1775 C ALA A 119 5.529 -10.734 6.374 1.00 0.00 C ATOM 1776 O ALA A 119 6.033 -9.635 6.624 1.00 0.00 O ATOM 1777 CB ALA A 119 5.976 -12.506 8.069 1.00 0.00 C ATOM 0 H ALA A 119 8.092 -10.971 6.795 1.00 0.00 H new ATOM 0 HA ALA A 119 5.943 -12.766 5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.899 -12.619 8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 119 6.463 -13.466 8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 119 6.347 -11.778 8.791 1.00 0.00 H new ATOM 1783 N LEU A 120 4.325 -10.889 5.834 1.00 0.00 N ATOM 1784 CA LEU A 120 3.416 -9.775 5.597 1.00 0.00 C ATOM 1785 C LEU A 120 2.362 -9.717 6.695 1.00 0.00 C ATOM 1786 O LEU A 120 1.633 -10.683 6.912 1.00 0.00 O ATOM 1787 CB LEU A 120 2.711 -9.941 4.245 1.00 0.00 C ATOM 1788 CG LEU A 120 3.597 -9.789 3.011 1.00 0.00 C ATOM 1789 CD1 LEU A 120 2.883 -10.318 1.776 1.00 0.00 C ATOM 1790 CD2 LEU A 120 3.976 -8.331 2.813 1.00 0.00 C ATOM 0 H LEU A 120 3.951 -11.794 5.548 1.00 0.00 H new ATOM 0 HA LEU A 120 3.999 -8.854 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.247 -10.927 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.906 -9.208 4.184 1.00 0.00 H new ATOM 0 HG LEU A 120 4.506 -10.371 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.528 -10.202 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.648 -11.373 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.961 -9.758 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.608 -8.236 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.073 -7.735 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.519 -7.974 3.688 1.00 0.00 H new ATOM 1802 N THR A 121 2.283 -8.593 7.388 1.00 0.00 N ATOM 1803 CA THR A 121 1.265 -8.416 8.409 1.00 0.00 C ATOM 1804 C THR A 121 0.530 -7.099 8.205 1.00 0.00 C ATOM 1805 O THR A 121 1.150 -6.059 7.993 1.00 0.00 O ATOM 1806 CB THR A 121 1.861 -8.470 9.832 1.00 0.00 C ATOM 1807 OG1 THR A 121 2.945 -7.543 9.958 1.00 0.00 O ATOM 1808 CG2 THR A 121 2.345 -9.874 10.158 1.00 0.00 C ATOM 0 H THR A 121 2.906 -7.795 7.264 1.00 0.00 H new ATOM 0 HA THR A 121 0.561 -9.242 8.310 1.00 0.00 H new ATOM 0 HB THR A 121 1.076 -8.196 10.537 1.00 0.00 H new ATOM 0 HG1 THR A 121 3.123 -7.128 9.088 1.00 0.00 H new ATOM 0 HG21 THR A 121 2.761 -9.891 11.165 1.00 0.00 H new ATOM 0 HG22 THR A 121 1.508 -10.570 10.100 1.00 0.00 H new ATOM 0 HG23 THR A 121 3.113 -10.169 9.443 1.00 0.00 H new ATOM 1816 N ALA A 122 -0.790 -7.149 8.257 1.00 0.00 N ATOM 1817 CA ALA A 122 -1.602 -5.966 8.039 1.00 0.00 C ATOM 1818 C ALA A 122 -2.257 -5.526 9.333 1.00 0.00 C ATOM 1819 O ALA A 122 -2.792 -6.342 10.091 1.00 0.00 O ATOM 1820 CB ALA A 122 -2.648 -6.226 6.968 1.00 0.00 C ATOM 0 H ALA A 122 -1.322 -7.998 8.449 1.00 0.00 H new ATOM 0 HA ALA A 122 -0.953 -5.161 7.693 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.247 -5.328 6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.154 -6.492 6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.295 -7.045 7.282 1.00 0.00 H new ATOM 1826 N TRP A 123 -2.202 -4.234 9.578 1.00 0.00 N ATOM 1827 CA TRP A 123 -2.680 -3.670 10.820 1.00 0.00 C ATOM 1828 C TRP A 123 -3.734 -2.609 10.568 1.00 0.00 C ATOM 1829 O TRP A 123 -3.631 -1.816 9.630 1.00 0.00 O ATOM 1830 CB TRP A 123 -1.520 -3.047 11.591 1.00 0.00 C ATOM 1831 CG TRP A 123 -0.407 -4.003 11.884 1.00 0.00 C ATOM 1832 CD1 TRP A 123 0.644 -4.315 11.067 1.00 0.00 C ATOM 1833 CD2 TRP A 123 -0.236 -4.770 13.075 1.00 0.00 C ATOM 1834 NE1 TRP A 123 1.471 -5.215 11.696 1.00 0.00 N ATOM 1835 CE2 TRP A 123 0.950 -5.509 12.929 1.00 0.00 C ATOM 1836 CE3 TRP A 123 -0.970 -4.898 14.258 1.00 0.00 C ATOM 1837 CZ2 TRP A 123 1.422 -6.359 13.924 1.00 0.00 C ATOM 1838 CZ3 TRP A 123 -0.506 -5.748 15.240 1.00 0.00 C ATOM 1839 CH2 TRP A 123 0.682 -6.469 15.070 1.00 0.00 C ATOM 0 H TRP A 123 -1.826 -3.548 8.924 1.00 0.00 H new ATOM 0 HA TRP A 123 -3.125 -4.476 11.404 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -1.125 -2.208 11.019 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -1.896 -2.643 12.531 1.00 0.00 H new ATOM 0 HD1 TRP A 123 0.801 -3.915 10.076 1.00 0.00 H new ATOM 0 HE1 TRP A 123 2.332 -5.601 11.308 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -1.884 -4.341 14.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 2.340 -6.913 13.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -1.068 -5.859 16.155 1.00 0.00 H new ATOM 0 HH2 TRP A 123 1.021 -7.125 15.858 1.00 0.00 H new ATOM 1850 N ALA A 124 -4.746 -2.603 11.408 1.00 0.00 N ATOM 1851 CA ALA A 124 -5.752 -1.565 11.379 1.00 0.00 C ATOM 1852 C ALA A 124 -5.631 -0.707 12.629 1.00 0.00 C ATOM 1853 O ALA A 124 -5.595 -1.227 13.750 1.00 0.00 O ATOM 1854 CB ALA A 124 -7.144 -2.175 11.276 1.00 0.00 C ATOM 0 H ALA A 124 -4.894 -3.313 12.126 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.595 -0.937 10.502 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.889 -1.380 11.255 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.216 -2.764 10.362 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.324 -2.818 12.137 1.00 0.00 H new ATOM 1860 N LEU A 125 -5.540 0.598 12.441 1.00 0.00 N ATOM 1861 CA LEU A 125 -5.492 1.514 13.566 1.00 0.00 C ATOM 1862 C LEU A 125 -6.890 1.746 14.088 1.00 0.00 C ATOM 1863 O LEU A 125 -7.770 2.192 13.349 1.00 0.00 O ATOM 1864 CB LEU A 125 -4.860 2.850 13.165 1.00 0.00 C ATOM 1865 CG LEU A 125 -4.886 3.936 14.243 1.00 0.00 C ATOM 1866 CD1 LEU A 125 -4.032 3.537 15.435 1.00 0.00 C ATOM 1867 CD2 LEU A 125 -4.421 5.266 13.674 1.00 0.00 C ATOM 0 H LEU A 125 -5.498 1.045 11.525 1.00 0.00 H new ATOM 0 HA LEU A 125 -4.875 1.068 14.346 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -3.824 2.671 12.878 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.375 3.226 12.281 1.00 0.00 H new ATOM 0 HG LEU A 125 -5.915 4.049 14.585 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.067 4.325 16.187 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.414 2.610 15.862 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.002 3.389 15.111 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.447 6.025 14.456 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.402 5.165 13.299 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.080 5.563 12.858 1.00 0.00 H new ATOM 1879 N ALA A 126 -7.095 1.422 15.355 1.00 0.00 N ATOM 1880 CA ALA A 126 -8.371 1.659 15.996 1.00 0.00 C ATOM 1881 C ALA A 126 -8.702 3.142 15.933 1.00 0.00 C ATOM 1882 O ALA A 126 -7.847 3.977 16.224 1.00 0.00 O ATOM 1883 CB ALA A 126 -8.335 1.177 17.436 1.00 0.00 C ATOM 0 H ALA A 126 -6.391 0.994 15.957 1.00 0.00 H new ATOM 0 HA ALA A 126 -9.147 1.101 15.472 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -9.301 1.362 17.906 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -8.120 0.109 17.457 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.558 1.714 17.980 1.00 0.00 H new ATOM 1889 N PRO A 127 -9.933 3.491 15.530 1.00 0.00 N ATOM 1890 CA PRO A 127 -10.369 4.890 15.440 1.00 0.00 C ATOM 1891 C PRO A 127 -10.207 5.614 16.771 1.00 0.00 C ATOM 1892 O PRO A 127 -10.024 6.832 16.818 1.00 0.00 O ATOM 1893 CB PRO A 127 -11.847 4.782 15.058 1.00 0.00 C ATOM 1894 CG PRO A 127 -11.976 3.447 14.411 1.00 0.00 C ATOM 1895 CD PRO A 127 -10.993 2.556 15.116 1.00 0.00 C ATOM 0 HA PRO A 127 -9.781 5.463 14.724 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -12.489 4.860 15.935 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -12.139 5.581 14.377 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -12.991 3.062 14.506 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -11.756 3.506 13.345 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -11.445 2.054 15.972 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -10.609 1.778 14.456 1.00 0.00 H new ATOM 1903 N ASP A 128 -10.252 4.837 17.846 1.00 0.00 N ATOM 1904 CA ASP A 128 -10.035 5.342 19.197 1.00 0.00 C ATOM 1905 C ASP A 128 -8.605 5.849 19.366 1.00 0.00 C ATOM 1906 O ASP A 128 -8.316 6.597 20.299 1.00 0.00 O ATOM 1907 CB ASP A 128 -10.301 4.238 20.223 1.00 0.00 C ATOM 1908 CG ASP A 128 -11.749 3.790 20.258 1.00 0.00 C ATOM 1909 OD1 ASP A 128 -12.249 3.278 19.230 1.00 0.00 O ATOM 1910 OD2 ASP A 128 -12.392 3.937 21.319 1.00 0.00 O ATOM 0 H ASP A 128 -10.441 3.835 17.806 1.00 0.00 H new ATOM 0 HA ASP A 128 -10.726 6.169 19.360 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -9.668 3.380 19.996 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -10.014 4.594 21.212 1.00 0.00 H new ATOM 1915 N ARG A 129 -7.717 5.424 18.462 1.00 0.00 N ATOM 1916 CA ARG A 129 -6.305 5.808 18.504 1.00 0.00 C ATOM 1917 C ARG A 129 -5.658 5.353 19.809 1.00 0.00 C ATOM 1918 O ARG A 129 -4.871 6.076 20.418 1.00 0.00 O ATOM 1919 CB ARG A 129 -6.164 7.320 18.316 1.00 0.00 C ATOM 1920 CG ARG A 129 -6.337 7.765 16.874 1.00 0.00 C ATOM 1921 CD ARG A 129 -6.526 9.267 16.771 1.00 0.00 C ATOM 1922 NE ARG A 129 -7.885 9.675 17.128 1.00 0.00 N ATOM 1923 CZ ARG A 129 -8.178 10.772 17.824 1.00 0.00 C ATOM 1924 NH1 ARG A 129 -7.211 11.499 18.374 1.00 0.00 N ATOM 1925 NH2 ARG A 129 -9.444 11.122 18.000 1.00 0.00 N ATOM 0 H ARG A 129 -7.956 4.808 17.685 1.00 0.00 H new ATOM 0 HA ARG A 129 -5.784 5.311 17.686 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.903 7.827 18.936 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.182 7.633 18.670 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.464 7.467 16.294 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.198 7.259 16.437 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -5.813 9.768 17.426 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.306 9.591 15.754 1.00 0.00 H new ATOM 0 HE ARG A 129 -8.657 9.082 16.825 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -6.237 11.218 18.264 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -7.443 12.338 18.906 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -10.191 10.552 17.603 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -9.672 11.962 18.533 1.00 0.00 H new ATOM 1939 N SER A 130 -6.000 4.140 20.220 1.00 0.00 N ATOM 1940 CA SER A 130 -5.461 3.563 21.440 1.00 0.00 C ATOM 1941 C SER A 130 -4.377 2.535 21.119 1.00 0.00 C ATOM 1942 O SER A 130 -3.407 2.381 21.865 1.00 0.00 O ATOM 1943 CB SER A 130 -6.590 2.911 22.248 1.00 0.00 C ATOM 1944 OG SER A 130 -6.106 2.312 23.439 1.00 0.00 O ATOM 0 H SER A 130 -6.652 3.535 19.722 1.00 0.00 H new ATOM 0 HA SER A 130 -5.010 4.358 22.033 1.00 0.00 H new ATOM 0 HB2 SER A 130 -7.339 3.662 22.497 1.00 0.00 H new ATOM 0 HB3 SER A 130 -7.086 2.157 21.637 1.00 0.00 H new ATOM 0 HG SER A 130 -6.853 1.908 23.929 1.00 0.00 H new ATOM 1950 N GLU A 131 -4.535 1.846 19.991 1.00 0.00 N ATOM 1951 CA GLU A 131 -3.633 0.764 19.624 1.00 0.00 C ATOM 1952 C GLU A 131 -3.871 0.335 18.183 1.00 0.00 C ATOM 1953 O GLU A 131 -4.755 0.864 17.502 1.00 0.00 O ATOM 1954 CB GLU A 131 -3.849 -0.438 20.553 1.00 0.00 C ATOM 1955 CG GLU A 131 -5.241 -1.043 20.443 1.00 0.00 C ATOM 1956 CD GLU A 131 -5.482 -2.151 21.447 1.00 0.00 C ATOM 1957 OE1 GLU A 131 -5.167 -3.322 21.143 1.00 0.00 O ATOM 1958 OE2 GLU A 131 -5.992 -1.856 22.546 1.00 0.00 O ATOM 0 H GLU A 131 -5.281 2.020 19.317 1.00 0.00 H new ATOM 0 HA GLU A 131 -2.609 1.124 19.724 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.109 -1.204 20.322 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.676 -0.127 21.583 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.985 -0.260 20.588 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.383 -1.435 19.436 1.00 0.00 H new ATOM 1965 N PHE A 132 -3.084 -0.631 17.735 1.00 0.00 N ATOM 1966 CA PHE A 132 -3.283 -1.249 16.435 1.00 0.00 C ATOM 1967 C PHE A 132 -3.886 -2.628 16.619 1.00 0.00 C ATOM 1968 O PHE A 132 -3.690 -3.265 17.653 1.00 0.00 O ATOM 1969 CB PHE A 132 -1.958 -1.400 15.677 1.00 0.00 C ATOM 1970 CG PHE A 132 -1.319 -0.111 15.262 1.00 0.00 C ATOM 1971 CD1 PHE A 132 -1.773 0.576 14.148 1.00 0.00 C ATOM 1972 CD2 PHE A 132 -0.247 0.402 15.970 1.00 0.00 C ATOM 1973 CE1 PHE A 132 -1.172 1.757 13.754 1.00 0.00 C ATOM 1974 CE2 PHE A 132 0.356 1.580 15.582 1.00 0.00 C ATOM 1975 CZ PHE A 132 -0.104 2.257 14.473 1.00 0.00 C ATOM 0 H PHE A 132 -2.294 -1.006 18.260 1.00 0.00 H new ATOM 0 HA PHE A 132 -3.949 -0.606 15.859 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -1.257 -1.950 16.305 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -2.132 -2.005 14.787 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -2.605 0.185 13.581 1.00 0.00 H new ATOM 0 HD2 PHE A 132 0.122 -0.126 16.837 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -1.537 2.287 12.887 1.00 0.00 H new ATOM 0 HE2 PHE A 132 1.189 1.972 16.147 1.00 0.00 H new ATOM 0 HZ PHE A 132 0.370 3.178 14.167 1.00 0.00 H new ATOM 1985 N HIS A 133 -4.619 -3.084 15.627 1.00 0.00 N ATOM 1986 CA HIS A 133 -5.125 -4.441 15.630 1.00 0.00 C ATOM 1987 C HIS A 133 -4.666 -5.142 14.375 1.00 0.00 C ATOM 1988 O HIS A 133 -4.673 -4.563 13.290 1.00 0.00 O ATOM 1989 CB HIS A 133 -6.652 -4.488 15.708 1.00 0.00 C ATOM 1990 CG HIS A 133 -7.219 -4.046 17.022 1.00 0.00 C ATOM 1991 ND1 HIS A 133 -7.580 -4.925 18.017 1.00 0.00 N ATOM 1992 CD2 HIS A 133 -7.510 -2.813 17.492 1.00 0.00 C ATOM 1993 CE1 HIS A 133 -8.068 -4.253 19.042 1.00 0.00 C ATOM 1994 NE2 HIS A 133 -8.040 -2.966 18.750 1.00 0.00 N ATOM 0 H HIS A 133 -4.879 -2.536 14.807 1.00 0.00 H new ATOM 0 HA HIS A 133 -4.735 -4.941 16.516 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -7.063 -3.859 14.919 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -6.983 -5.507 15.508 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -7.354 -1.878 16.974 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -8.429 -4.683 19.964 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -8.359 -2.211 19.357 1.00 0.00 H new ATOM 2003 N ARG A 134 -4.257 -6.378 14.527 1.00 0.00 N ATOM 2004 CA ARG A 134 -3.772 -7.152 13.408 1.00 0.00 C ATOM 2005 C ARG A 134 -4.938 -7.816 12.710 1.00 0.00 C ATOM 2006 O ARG A 134 -5.750 -8.492 13.340 1.00 0.00 O ATOM 2007 CB ARG A 134 -2.763 -8.191 13.869 1.00 0.00 C ATOM 2008 CG ARG A 134 -2.143 -8.964 12.726 1.00 0.00 C ATOM 2009 CD ARG A 134 -0.630 -8.922 12.778 1.00 0.00 C ATOM 2010 NE ARG A 134 -0.096 -9.763 13.849 1.00 0.00 N ATOM 2011 CZ ARG A 134 1.202 -9.919 14.120 1.00 0.00 C ATOM 2012 NH1 ARG A 134 2.127 -9.292 13.401 1.00 0.00 N ATOM 2013 NH2 ARG A 134 1.566 -10.708 15.119 1.00 0.00 N ATOM 0 H ARG A 134 -4.250 -6.872 15.419 1.00 0.00 H new ATOM 0 HA ARG A 134 -3.269 -6.485 12.708 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -1.974 -7.696 14.435 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -3.253 -8.889 14.548 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -2.480 -10.000 12.762 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -2.486 -8.550 11.778 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -0.225 -9.252 11.821 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -0.301 -7.894 12.926 1.00 0.00 H new ATOM 0 HE ARG A 134 -0.764 -10.267 14.432 1.00 0.00 H new ATOM 0 HH11 ARG A 134 1.849 -8.683 12.632 1.00 0.00 H new ATOM 0 HH12 ARG A 134 3.115 -9.420 13.619 1.00 0.00 H new ATOM 0 HH21 ARG A 134 0.858 -11.189 15.673 1.00 0.00 H new ATOM 0 HH22 ARG A 134 2.555 -10.834 15.335 1.00 0.00 H new ATOM 2027 N GLU A 135 -5.023 -7.600 11.416 1.00 0.00 N ATOM 2028 CA GLU A 135 -6.103 -8.156 10.625 1.00 0.00 C ATOM 2029 C GLU A 135 -5.550 -9.201 9.678 1.00 0.00 C ATOM 2030 O GLU A 135 -4.399 -9.118 9.245 1.00 0.00 O ATOM 2031 CB GLU A 135 -6.834 -7.058 9.844 1.00 0.00 C ATOM 2032 CG GLU A 135 -8.057 -7.553 9.084 1.00 0.00 C ATOM 2033 CD GLU A 135 -8.852 -6.431 8.443 1.00 0.00 C ATOM 2034 OE1 GLU A 135 -8.494 -5.998 7.328 1.00 0.00 O ATOM 2035 OE2 GLU A 135 -9.853 -5.991 9.047 1.00 0.00 O ATOM 0 H GLU A 135 -4.355 -7.041 10.885 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.824 -8.623 11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -7.141 -6.275 10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -6.139 -6.603 9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -7.739 -8.253 8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -8.703 -8.105 9.767 1.00 0.00 H new ATOM 2042 N ASP A 136 -6.362 -10.192 9.378 1.00 0.00 N ATOM 2043 CA ASP A 136 -5.946 -11.266 8.496 1.00 0.00 C ATOM 2044 C ASP A 136 -6.161 -10.859 7.051 1.00 0.00 C ATOM 2045 O ASP A 136 -7.155 -10.211 6.720 1.00 0.00 O ATOM 2046 CB ASP A 136 -6.715 -12.559 8.793 1.00 0.00 C ATOM 2047 CG ASP A 136 -6.415 -13.118 10.171 1.00 0.00 C ATOM 2048 OD1 ASP A 136 -5.345 -13.737 10.348 1.00 0.00 O ATOM 2049 OD2 ASP A 136 -7.264 -12.959 11.083 1.00 0.00 O ATOM 0 H ASP A 136 -7.315 -10.278 9.731 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.886 -11.455 8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -7.785 -12.368 8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -6.464 -13.306 8.040 1.00 0.00 H new ATOM 2054 N ILE A 137 -5.227 -11.227 6.196 1.00 0.00 N ATOM 2055 CA ILE A 137 -5.336 -10.912 4.786 1.00 0.00 C ATOM 2056 C ILE A 137 -6.196 -11.960 4.098 1.00 0.00 C ATOM 2057 O ILE A 137 -5.826 -13.135 4.027 1.00 0.00 O ATOM 2058 CB ILE A 137 -3.953 -10.846 4.104 1.00 0.00 C ATOM 2059 CG1 ILE A 137 -3.063 -9.820 4.813 1.00 0.00 C ATOM 2060 CG2 ILE A 137 -4.109 -10.496 2.630 1.00 0.00 C ATOM 2061 CD1 ILE A 137 -1.652 -9.753 4.266 1.00 0.00 C ATOM 0 H ILE A 137 -4.386 -11.743 6.453 1.00 0.00 H new ATOM 0 HA ILE A 137 -5.798 -9.929 4.696 1.00 0.00 H new ATOM 0 HB ILE A 137 -3.476 -11.824 4.176 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -3.522 -8.835 4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -3.020 -10.062 5.875 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -3.126 -10.453 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.713 -11.258 2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.599 -9.527 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -1.083 -9.005 4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -1.173 -10.726 4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -1.683 -9.480 3.211 1.00 0.00 H new ATOM 2073 N VAL A 138 -7.341 -11.530 3.594 1.00 0.00 N ATOM 2074 CA VAL A 138 -8.313 -12.443 3.021 1.00 0.00 C ATOM 2075 C VAL A 138 -8.353 -12.282 1.514 1.00 0.00 C ATOM 2076 O VAL A 138 -8.019 -11.226 0.977 1.00 0.00 O ATOM 2077 CB VAL A 138 -9.734 -12.212 3.571 1.00 0.00 C ATOM 2078 CG1 VAL A 138 -10.548 -13.498 3.530 1.00 0.00 C ATOM 2079 CG2 VAL A 138 -9.699 -11.638 4.980 1.00 0.00 C ATOM 0 H VAL A 138 -7.620 -10.549 3.571 1.00 0.00 H new ATOM 0 HA VAL A 138 -7.996 -13.449 3.296 1.00 0.00 H new ATOM 0 HB VAL A 138 -10.221 -11.479 2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -11.547 -13.309 3.923 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -10.624 -13.848 2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -10.057 -14.259 4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -10.718 -11.488 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -9.181 -12.331 5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -9.173 -10.683 4.971 1.00 0.00 H new ATOM 2089 N ARG A 139 -8.774 -13.331 0.849 1.00 0.00 N ATOM 2090 CA ARG A 139 -8.795 -13.375 -0.594 1.00 0.00 C ATOM 2091 C ARG A 139 -10.223 -13.241 -1.098 1.00 0.00 C ATOM 2092 O ARG A 139 -11.119 -13.945 -0.629 1.00 0.00 O ATOM 2093 CB ARG A 139 -8.185 -14.690 -1.060 1.00 0.00 C ATOM 2094 CG ARG A 139 -6.691 -14.788 -0.808 1.00 0.00 C ATOM 2095 CD ARG A 139 -6.274 -16.211 -0.487 1.00 0.00 C ATOM 2096 NE ARG A 139 -6.796 -16.649 0.812 1.00 0.00 N ATOM 2097 CZ ARG A 139 -6.069 -17.283 1.733 1.00 0.00 C ATOM 2098 NH1 ARG A 139 -4.800 -17.589 1.486 1.00 0.00 N ATOM 2099 NH2 ARG A 139 -6.612 -17.601 2.903 1.00 0.00 N ATOM 0 H ARG A 139 -9.114 -14.183 1.296 1.00 0.00 H new ATOM 0 HA ARG A 139 -8.212 -12.547 -0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -8.686 -15.514 -0.552 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -8.374 -14.811 -2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -6.149 -14.438 -1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -6.416 -14.132 0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -6.634 -16.881 -1.268 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -5.186 -16.280 -0.484 1.00 0.00 H new ATOM 0 HE ARG A 139 -7.775 -16.457 1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -4.380 -17.339 0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -4.246 -18.074 2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -7.584 -17.360 3.096 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -6.057 -18.086 3.608 1.00 0.00 H new ATOM 2113 N PRO A 140 -10.456 -12.327 -2.045 1.00 0.00 N ATOM 2114 CA PRO A 140 -11.781 -12.121 -2.624 1.00 0.00 C ATOM 2115 C PRO A 140 -12.249 -13.337 -3.416 1.00 0.00 C ATOM 2116 O PRO A 140 -11.459 -13.983 -4.105 1.00 0.00 O ATOM 2117 CB PRO A 140 -11.592 -10.913 -3.548 1.00 0.00 C ATOM 2118 CG PRO A 140 -10.133 -10.877 -3.847 1.00 0.00 C ATOM 2119 CD PRO A 140 -9.447 -11.428 -2.628 1.00 0.00 C ATOM 0 HA PRO A 140 -12.542 -11.963 -1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -12.179 -11.019 -4.460 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -11.918 -9.992 -3.065 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -9.901 -11.474 -4.729 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -9.802 -9.859 -4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -8.534 -11.964 -2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -9.165 -10.637 -1.934 1.00 0.00 H new ATOM 2127 N ASP A 141 -13.529 -13.656 -3.291 1.00 0.00 N ATOM 2128 CA ASP A 141 -14.119 -14.761 -4.034 1.00 0.00 C ATOM 2129 C ASP A 141 -14.162 -14.433 -5.519 1.00 0.00 C ATOM 2130 O ASP A 141 -14.126 -13.261 -5.897 1.00 0.00 O ATOM 2131 CB ASP A 141 -15.542 -15.050 -3.537 1.00 0.00 C ATOM 2132 CG ASP A 141 -15.573 -15.647 -2.147 1.00 0.00 C ATOM 2133 OD1 ASP A 141 -15.295 -16.857 -2.010 1.00 0.00 O ATOM 2134 OD2 ASP A 141 -15.885 -14.914 -1.187 1.00 0.00 O ATOM 0 H ASP A 141 -14.181 -13.164 -2.680 1.00 0.00 H new ATOM 0 HA ASP A 141 -13.501 -15.644 -3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -16.118 -14.124 -3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -16.032 -15.733 -4.231 1.00 0.00 H new