USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 123 MET CE :methyl 135:sc= -5.17! (180deg=-8.09!) USER MOD Set 1.2: A 125 ASN : amide:sc= -4.74! C(o=-9.9!,f=-11!) USER MOD Set 2.1: A 122 LYS NZ :NH3+ 166:sc= 0 (180deg=0) USER MOD Set 2.2: A 124 MET CE :methyl 149:sc= -4.55 (180deg=-9.46!) USER MOD Set 3.1: A 81 HIS : no HD1:sc= -4.11 K(o=-4.1,f=-4.6!) USER MOD Set 3.2: A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -75:sc= -5.68! USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 135:sc= 1.02 USER MOD Single : A 92 TYR OH : rot -163:sc= -0.0339 USER MOD Single : A 94 THR OG1 : rot -120:sc= -0.622 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 108 LYS NZ :NH3+ 159:sc= -2.76 (180deg=-4.32!) USER MOD Single : A 110 ASN : amide:sc= 0.359 X(o=0.36,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 116 CYS SG : rot 168:sc= -1.33! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 144 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 80 11.187 9.973 -0.937 1.00 0.00 N ATOM 47 CA GLY A 80 11.144 8.939 -1.955 1.00 0.00 C ATOM 48 C GLY A 80 9.898 9.021 -2.813 1.00 0.00 C ATOM 49 O GLY A 80 9.576 10.081 -3.352 1.00 0.00 O ATOM 0 HA2 GLY A 80 12.025 9.023 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.188 7.961 -1.477 1.00 0.00 H new ATOM 53 N HIS A 81 9.195 7.900 -2.942 1.00 0.00 N ATOM 54 CA HIS A 81 7.977 7.849 -3.741 1.00 0.00 C ATOM 55 C HIS A 81 6.742 7.929 -2.851 1.00 0.00 C ATOM 56 O HIS A 81 6.806 7.635 -1.658 1.00 0.00 O ATOM 57 CB HIS A 81 7.933 6.563 -4.572 1.00 0.00 C ATOM 58 CG HIS A 81 9.152 6.343 -5.414 1.00 0.00 C ATOM 59 ND1 HIS A 81 10.440 6.492 -4.940 1.00 0.00 N ATOM 60 CD2 HIS A 81 9.274 5.978 -6.712 1.00 0.00 C ATOM 61 CE1 HIS A 81 11.298 6.230 -5.910 1.00 0.00 C ATOM 62 NE2 HIS A 81 10.616 5.915 -6.995 1.00 0.00 N ATOM 0 H HIS A 81 9.449 7.015 -2.503 1.00 0.00 H new ATOM 0 HA HIS A 81 7.981 8.707 -4.413 1.00 0.00 H new ATOM 0 HB2 HIS A 81 7.808 5.713 -3.901 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.056 6.590 -5.219 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.465 5.774 -7.398 1.00 0.00 H new ATOM 0 HE1 HIS A 81 12.374 6.267 -5.829 1.00 0.00 H new ATOM 0 HE2 HIS A 81 11.020 5.665 -7.898 1.00 0.00 H new ATOM 71 N ILE A 82 5.619 8.328 -3.438 1.00 0.00 N ATOM 72 CA ILE A 82 4.373 8.444 -2.696 1.00 0.00 C ATOM 73 C ILE A 82 3.217 7.809 -3.460 1.00 0.00 C ATOM 74 O ILE A 82 2.686 8.395 -4.404 1.00 0.00 O ATOM 75 CB ILE A 82 4.034 9.916 -2.399 1.00 0.00 C ATOM 76 CG1 ILE A 82 5.271 10.631 -1.833 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.849 10.000 -1.444 1.00 0.00 C ATOM 78 CD1 ILE A 82 4.985 11.535 -0.652 1.00 0.00 C ATOM 0 H ILE A 82 5.548 8.576 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 82 4.514 7.914 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 82 3.749 10.418 -3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.003 9.881 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.728 11.223 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.619 11.046 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.982 9.518 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.098 9.496 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.912 11.999 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.279 12.310 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.558 10.948 0.161 1.00 0.00 H new ATOM 90 N VAL A 83 2.834 6.607 -3.045 1.00 0.00 N ATOM 91 CA VAL A 83 1.742 5.888 -3.690 1.00 0.00 C ATOM 92 C VAL A 83 0.396 6.289 -3.098 1.00 0.00 C ATOM 93 O VAL A 83 0.114 6.019 -1.929 1.00 0.00 O ATOM 94 CB VAL A 83 1.918 4.364 -3.554 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.064 3.635 -4.581 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.383 3.982 -3.700 1.00 0.00 C ATOM 0 H VAL A 83 3.264 6.110 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 83 1.765 6.156 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 83 1.585 4.064 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.201 2.559 -4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.015 3.885 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.364 3.938 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.489 2.902 -3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.744 4.294 -4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.967 4.476 -2.924 1.00 0.00 H new ATOM 106 N ARG A 84 -0.432 6.937 -3.912 1.00 0.00 N ATOM 107 CA ARG A 84 -1.750 7.378 -3.472 1.00 0.00 C ATOM 108 C ARG A 84 -2.838 6.444 -3.986 1.00 0.00 C ATOM 109 O ARG A 84 -2.719 5.870 -5.069 1.00 0.00 O ATOM 110 CB ARG A 84 -2.020 8.806 -3.951 1.00 0.00 C ATOM 111 CG ARG A 84 -1.231 9.191 -5.191 1.00 0.00 C ATOM 112 CD ARG A 84 0.170 9.660 -4.835 1.00 0.00 C ATOM 113 NE ARG A 84 0.204 11.085 -4.518 1.00 0.00 N ATOM 114 CZ ARG A 84 -0.015 12.042 -5.414 1.00 0.00 C ATOM 115 NH1 ARG A 84 -0.286 11.725 -6.673 1.00 0.00 N ATOM 116 NH2 ARG A 84 0.036 13.316 -5.051 1.00 0.00 N ATOM 0 H ARG A 84 -0.212 7.168 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.765 7.358 -2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.084 8.915 -4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.779 9.502 -3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.170 8.336 -5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.756 9.982 -5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.538 9.090 -3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.843 9.457 -5.668 1.00 0.00 H new ATOM 0 HE ARG A 84 0.407 11.361 -3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.327 10.746 -6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.454 12.461 -7.359 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.243 13.563 -4.083 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.132 14.050 -5.739 1.00 0.00 H new ATOM 130 N SER A 85 -3.901 6.295 -3.202 1.00 0.00 N ATOM 131 CA SER A 85 -5.013 5.430 -3.575 1.00 0.00 C ATOM 132 C SER A 85 -5.292 5.510 -5.072 1.00 0.00 C ATOM 133 O SER A 85 -5.302 6.593 -5.657 1.00 0.00 O ATOM 134 CB SER A 85 -6.269 5.812 -2.789 1.00 0.00 C ATOM 135 OG SER A 85 -6.791 4.696 -2.090 1.00 0.00 O ATOM 0 H SER A 85 -4.015 6.763 -2.303 1.00 0.00 H new ATOM 0 HA SER A 85 -4.737 4.404 -3.332 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.032 6.609 -2.084 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.024 6.204 -3.471 1.00 0.00 H new ATOM 0 HG SER A 85 -7.241 4.096 -2.721 1.00 0.00 H new ATOM 141 N PRO A 86 -5.521 4.353 -5.707 1.00 0.00 N ATOM 142 CA PRO A 86 -5.802 4.276 -7.142 1.00 0.00 C ATOM 143 C PRO A 86 -7.224 4.715 -7.477 1.00 0.00 C ATOM 144 O PRO A 86 -7.449 5.432 -8.452 1.00 0.00 O ATOM 145 CB PRO A 86 -5.614 2.792 -7.453 1.00 0.00 C ATOM 146 CG PRO A 86 -5.945 2.097 -6.177 1.00 0.00 C ATOM 147 CD PRO A 86 -5.522 3.026 -5.069 1.00 0.00 C ATOM 0 HA PRO A 86 -5.157 4.935 -7.724 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.270 2.470 -8.262 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.592 2.579 -7.767 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.012 1.881 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.422 1.143 -6.106 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.214 2.987 -4.228 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.536 2.766 -4.683 1.00 0.00 H new ATOM 155 N MET A 87 -8.180 4.277 -6.664 1.00 0.00 N ATOM 156 CA MET A 87 -9.580 4.626 -6.874 1.00 0.00 C ATOM 157 C MET A 87 -10.433 4.185 -5.688 1.00 0.00 C ATOM 158 O MET A 87 -11.278 3.299 -5.814 1.00 0.00 O ATOM 159 CB MET A 87 -10.102 3.983 -8.162 1.00 0.00 C ATOM 160 CG MET A 87 -9.172 2.929 -8.738 1.00 0.00 C ATOM 161 SD MET A 87 -10.036 1.734 -9.778 1.00 0.00 S ATOM 162 CE MET A 87 -10.369 2.728 -11.230 1.00 0.00 C ATOM 0 H MET A 87 -8.011 3.680 -5.854 1.00 0.00 H new ATOM 0 HA MET A 87 -9.649 5.710 -6.966 1.00 0.00 H new ATOM 0 HB2 MET A 87 -11.073 3.529 -7.963 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.261 4.762 -8.908 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.393 3.418 -9.323 1.00 0.00 H new ATOM 0 HG3 MET A 87 -8.675 2.403 -7.922 1.00 0.00 H new ATOM 0 HE1 MET A 87 -10.901 2.127 -11.968 1.00 0.00 H new ATOM 0 HE2 MET A 87 -10.981 3.586 -10.951 1.00 0.00 H new ATOM 0 HE3 MET A 87 -9.428 3.077 -11.656 1.00 0.00 H new ATOM 172 N VAL A 88 -10.205 4.811 -4.539 1.00 0.00 N ATOM 173 CA VAL A 88 -10.950 4.485 -3.328 1.00 0.00 C ATOM 174 C VAL A 88 -10.849 3.000 -3.004 1.00 0.00 C ATOM 175 O VAL A 88 -10.487 2.189 -3.857 1.00 0.00 O ATOM 176 CB VAL A 88 -12.436 4.866 -3.459 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.239 4.295 -2.299 1.00 0.00 C ATOM 178 CG2 VAL A 88 -12.595 6.378 -3.533 1.00 0.00 C ATOM 0 H VAL A 88 -9.510 5.548 -4.420 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.504 5.065 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.822 4.437 -4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.287 4.575 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.152 3.208 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.854 4.692 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.652 6.629 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.192 6.831 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.055 6.759 -4.400 1.00 0.00 H new ATOM 188 N GLY A 89 -11.171 2.653 -1.763 1.00 0.00 N ATOM 189 CA GLY A 89 -11.112 1.268 -1.340 1.00 0.00 C ATOM 190 C GLY A 89 -10.847 1.133 0.145 1.00 0.00 C ATOM 191 O GLY A 89 -10.849 2.124 0.876 1.00 0.00 O ATOM 0 H GLY A 89 -11.472 3.308 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.052 0.775 -1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.328 0.754 -1.895 1.00 0.00 H new ATOM 195 N THR A 90 -10.618 -0.095 0.594 1.00 0.00 N ATOM 196 CA THR A 90 -10.349 -0.351 2.003 1.00 0.00 C ATOM 197 C THR A 90 -8.898 -0.776 2.205 1.00 0.00 C ATOM 198 O THR A 90 -8.560 -1.950 2.055 1.00 0.00 O ATOM 199 CB THR A 90 -11.290 -1.430 2.537 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.573 -1.312 1.950 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.466 -1.381 4.040 1.00 0.00 C ATOM 0 H THR A 90 -10.613 -0.927 0.004 1.00 0.00 H new ATOM 0 HA THR A 90 -10.521 0.572 2.556 1.00 0.00 H new ATOM 0 HB THR A 90 -10.821 -2.378 2.273 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.893 -2.199 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.146 -2.174 4.353 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.499 -1.520 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.880 -0.414 4.327 1.00 0.00 H new ATOM 209 N PHE A 91 -8.044 0.186 2.540 1.00 0.00 N ATOM 210 CA PHE A 91 -6.629 -0.093 2.757 1.00 0.00 C ATOM 211 C PHE A 91 -6.432 -1.056 3.922 1.00 0.00 C ATOM 212 O PHE A 91 -7.344 -1.280 4.718 1.00 0.00 O ATOM 213 CB PHE A 91 -5.867 1.206 3.021 1.00 0.00 C ATOM 214 CG PHE A 91 -4.382 1.016 3.130 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.634 0.632 2.022 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.729 1.220 4.341 1.00 0.00 C ATOM 217 CE1 PHE A 91 -2.262 0.454 2.120 1.00 0.00 C ATOM 218 CE2 PHE A 91 -2.358 1.044 4.445 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.624 0.661 3.333 1.00 0.00 C ATOM 0 H PHE A 91 -8.306 1.163 2.667 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.237 -0.562 1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.077 1.911 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.237 1.654 3.943 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.127 0.471 1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.296 1.519 5.210 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.692 0.155 1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.862 1.205 5.391 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.556 0.524 3.412 1.00 0.00 H new ATOM 229 N TYR A 92 -5.234 -1.623 4.016 1.00 0.00 N ATOM 230 CA TYR A 92 -4.912 -2.562 5.083 1.00 0.00 C ATOM 231 C TYR A 92 -3.405 -2.771 5.183 1.00 0.00 C ATOM 232 O TYR A 92 -2.649 -2.330 4.317 1.00 0.00 O ATOM 233 CB TYR A 92 -5.608 -3.898 4.842 1.00 0.00 C ATOM 234 CG TYR A 92 -7.092 -3.872 5.128 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.571 -3.589 6.406 1.00 0.00 C ATOM 236 CD2 TYR A 92 -8.019 -4.134 4.119 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.932 -3.566 6.671 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.381 -4.112 4.377 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.832 -3.827 5.654 1.00 0.00 C ATOM 240 OH TYR A 92 -11.183 -3.805 5.913 1.00 0.00 O ATOM 0 H TYR A 92 -4.469 -1.448 3.365 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.267 -2.142 6.024 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.452 -4.197 3.805 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.140 -4.659 5.467 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.871 -3.384 7.203 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.670 -4.357 3.122 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.287 -3.345 7.667 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.087 -4.316 3.585 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.662 -4.264 5.191 1.00 0.00 H new ATOM 250 N ARG A 93 -2.974 -3.447 6.242 1.00 0.00 N ATOM 251 CA ARG A 93 -1.555 -3.714 6.450 1.00 0.00 C ATOM 252 C ARG A 93 -1.242 -5.186 6.233 1.00 0.00 C ATOM 253 O ARG A 93 -0.078 -5.570 6.112 1.00 0.00 O ATOM 254 CB ARG A 93 -1.135 -3.304 7.862 1.00 0.00 C ATOM 255 CG ARG A 93 -1.793 -2.023 8.344 1.00 0.00 C ATOM 256 CD ARG A 93 -0.781 -0.899 8.499 1.00 0.00 C ATOM 257 NE ARG A 93 0.313 -1.011 7.538 1.00 0.00 N ATOM 258 CZ ARG A 93 1.525 -0.512 7.744 1.00 0.00 C ATOM 259 NH1 ARG A 93 1.798 0.132 8.871 1.00 0.00 N ATOM 260 NH2 ARG A 93 2.468 -0.655 6.823 1.00 0.00 N ATOM 0 H ARG A 93 -3.585 -3.820 6.969 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.995 -3.125 5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.379 -4.111 8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.053 -3.179 7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.567 -1.722 7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.286 -2.204 9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.282 0.060 8.368 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.377 -0.912 9.511 1.00 0.00 H new ATOM 0 HE ARG A 93 0.136 -1.500 6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.075 0.245 9.582 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.731 0.515 9.027 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.262 -1.149 5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.399 -0.271 6.983 1.00 0.00 H new ATOM 274 N THR A 94 -2.281 -6.012 6.192 1.00 0.00 N ATOM 275 CA THR A 94 -2.099 -7.443 5.998 1.00 0.00 C ATOM 276 C THR A 94 -3.438 -8.173 5.947 1.00 0.00 C ATOM 277 O THR A 94 -4.384 -7.806 6.644 1.00 0.00 O ATOM 278 CB THR A 94 -1.240 -8.008 7.127 1.00 0.00 C ATOM 279 OG1 THR A 94 -0.843 -9.337 6.842 1.00 0.00 O ATOM 280 CG2 THR A 94 -1.944 -8.013 8.466 1.00 0.00 C ATOM 0 H THR A 94 -3.252 -5.716 6.290 1.00 0.00 H new ATOM 0 HA THR A 94 -1.598 -7.596 5.042 1.00 0.00 H new ATOM 0 HB THR A 94 -0.376 -7.347 7.191 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.179 -9.936 7.541 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.280 -8.426 9.225 1.00 0.00 H new ATOM 0 HG22 THR A 94 -2.216 -6.993 8.738 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.845 -8.623 8.401 1.00 0.00 H new ATOM 288 N PRO A 95 -3.530 -9.225 5.118 1.00 0.00 N ATOM 289 CA PRO A 95 -4.754 -10.021 4.974 1.00 0.00 C ATOM 290 C PRO A 95 -5.111 -10.765 6.254 1.00 0.00 C ATOM 291 O PRO A 95 -4.769 -10.331 7.354 1.00 0.00 O ATOM 292 CB PRO A 95 -4.417 -11.022 3.859 1.00 0.00 C ATOM 293 CG PRO A 95 -3.191 -10.486 3.200 1.00 0.00 C ATOM 294 CD PRO A 95 -2.448 -9.726 4.260 1.00 0.00 C ATOM 0 HA PRO A 95 -5.616 -9.392 4.750 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.241 -12.018 4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.239 -11.109 3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.579 -11.294 2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.450 -9.837 2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.759 -10.367 4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.858 -8.913 3.837 1.00 0.00 H new ATOM 349 N LYS A 100 0.649 -12.807 7.331 1.00 0.00 N ATOM 350 CA LYS A 100 2.096 -12.724 7.508 1.00 0.00 C ATOM 351 C LYS A 100 2.566 -11.274 7.447 1.00 0.00 C ATOM 352 O LYS A 100 3.731 -10.999 7.160 1.00 0.00 O ATOM 353 CB LYS A 100 2.811 -13.551 6.438 1.00 0.00 C ATOM 354 CG LYS A 100 3.792 -14.563 7.008 1.00 0.00 C ATOM 355 CD LYS A 100 5.231 -14.114 6.819 1.00 0.00 C ATOM 356 CE LYS A 100 5.663 -13.150 7.912 1.00 0.00 C ATOM 357 NZ LYS A 100 6.671 -13.759 8.823 1.00 0.00 N ATOM 0 HA LYS A 100 2.342 -13.127 8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.067 -14.076 5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.344 -12.878 5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.592 -14.707 8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.644 -15.527 6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.888 -14.984 6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.339 -13.634 5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.080 -12.251 7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.791 -12.842 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.940 -13.070 9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.265 -14.603 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.513 -14.030 8.277 1.00 0.00 H new ATOM 371 N ALA A 101 1.650 -10.351 7.720 1.00 0.00 N ATOM 372 CA ALA A 101 1.964 -8.928 7.697 1.00 0.00 C ATOM 373 C ALA A 101 2.567 -8.514 6.360 1.00 0.00 C ATOM 374 O ALA A 101 3.732 -8.794 6.080 1.00 0.00 O ATOM 375 CB ALA A 101 2.907 -8.572 8.836 1.00 0.00 C ATOM 0 H ALA A 101 0.682 -10.564 7.960 1.00 0.00 H new ATOM 0 HA ALA A 101 1.031 -8.379 7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.131 -7.506 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.435 -8.815 9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.832 -9.140 8.734 1.00 0.00 H new ATOM 381 N PHE A 102 1.766 -7.845 5.538 1.00 0.00 N ATOM 382 CA PHE A 102 2.220 -7.389 4.229 1.00 0.00 C ATOM 383 C PHE A 102 3.457 -6.507 4.364 1.00 0.00 C ATOM 384 O PHE A 102 4.102 -6.483 5.411 1.00 0.00 O ATOM 385 CB PHE A 102 1.101 -6.621 3.521 1.00 0.00 C ATOM 386 CG PHE A 102 0.486 -7.374 2.377 1.00 0.00 C ATOM 387 CD1 PHE A 102 1.288 -7.983 1.418 1.00 0.00 C ATOM 388 CD2 PHE A 102 -0.895 -7.475 2.260 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.721 -8.680 0.362 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.467 -8.169 1.206 1.00 0.00 C ATOM 391 CZ PHE A 102 -0.658 -8.772 0.256 1.00 0.00 C ATOM 0 H PHE A 102 0.798 -7.606 5.755 1.00 0.00 H new ATOM 0 HA PHE A 102 2.483 -8.263 3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.323 -6.379 4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.498 -5.676 3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.363 -7.912 1.497 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.529 -7.007 2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.353 -9.151 -0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.542 -8.240 1.125 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.102 -9.313 -0.566 1.00 0.00 H new ATOM 401 N ILE A 103 3.783 -5.783 3.297 1.00 0.00 N ATOM 402 CA ILE A 103 4.944 -4.901 3.302 1.00 0.00 C ATOM 403 C ILE A 103 4.716 -3.700 4.216 1.00 0.00 C ATOM 404 O ILE A 103 4.278 -2.641 3.766 1.00 0.00 O ATOM 405 CB ILE A 103 5.277 -4.399 1.885 1.00 0.00 C ATOM 406 CG1 ILE A 103 4.939 -5.471 0.845 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.744 -4.008 1.793 1.00 0.00 C ATOM 408 CD1 ILE A 103 5.475 -6.842 1.195 1.00 0.00 C ATOM 0 H ILE A 103 3.261 -5.790 2.421 1.00 0.00 H new ATOM 0 HA ILE A 103 5.784 -5.486 3.676 1.00 0.00 H new ATOM 0 HB ILE A 103 4.672 -3.517 1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.856 -5.530 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.342 -5.168 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.964 -3.655 0.785 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.955 -3.214 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.366 -4.874 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.198 -7.551 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.561 -6.798 1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.052 -7.166 2.146 1.00 0.00 H new ATOM 420 N GLU A 104 5.016 -3.874 5.498 1.00 0.00 N ATOM 421 CA GLU A 104 4.844 -2.805 6.476 1.00 0.00 C ATOM 422 C GLU A 104 6.024 -1.840 6.443 1.00 0.00 C ATOM 423 O GLU A 104 7.007 -2.068 5.739 1.00 0.00 O ATOM 424 CB GLU A 104 4.689 -3.393 7.878 1.00 0.00 C ATOM 425 CG GLU A 104 3.310 -3.179 8.479 1.00 0.00 C ATOM 426 CD GLU A 104 3.218 -3.657 9.915 1.00 0.00 C ATOM 427 OE1 GLU A 104 4.168 -4.322 10.380 1.00 0.00 O ATOM 428 OE2 GLU A 104 2.198 -3.366 10.574 1.00 0.00 O ATOM 0 H GLU A 104 5.380 -4.745 5.885 1.00 0.00 H new ATOM 0 HA GLU A 104 3.941 -2.251 6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.897 -4.462 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.436 -2.946 8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.060 -2.119 8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.570 -3.706 7.877 1.00 0.00 H new ATOM 435 N VAL A 105 5.919 -0.758 7.209 1.00 0.00 N ATOM 436 CA VAL A 105 6.978 0.242 7.266 1.00 0.00 C ATOM 437 C VAL A 105 8.258 -0.344 7.851 1.00 0.00 C ATOM 438 O VAL A 105 8.214 -1.258 8.674 1.00 0.00 O ATOM 439 CB VAL A 105 6.558 1.463 8.105 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.475 2.644 7.828 1.00 0.00 C ATOM 441 CG2 VAL A 105 5.107 1.829 7.829 1.00 0.00 C ATOM 0 H VAL A 105 5.112 -0.552 7.798 1.00 0.00 H new ATOM 0 HA VAL A 105 7.162 0.562 6.240 1.00 0.00 H new ATOM 0 HB VAL A 105 6.648 1.203 9.160 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.162 3.497 8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.500 2.376 8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.421 2.907 6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.829 2.694 8.431 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.987 2.069 6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.464 0.987 8.085 1.00 0.00 H new ATOM 451 N GLY A 106 9.395 0.186 7.417 1.00 0.00 N ATOM 452 CA GLY A 106 10.671 -0.299 7.906 1.00 0.00 C ATOM 453 C GLY A 106 11.198 -1.462 7.090 1.00 0.00 C ATOM 454 O GLY A 106 12.409 -1.655 6.982 1.00 0.00 O ATOM 0 H GLY A 106 9.456 0.943 6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.397 0.514 7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.565 -0.607 8.946 1.00 0.00 H new ATOM 458 N GLN A 107 10.286 -2.239 6.514 1.00 0.00 N ATOM 459 CA GLN A 107 10.668 -3.388 5.702 1.00 0.00 C ATOM 460 C GLN A 107 10.438 -3.104 4.219 1.00 0.00 C ATOM 461 O GLN A 107 9.619 -2.252 3.864 1.00 0.00 O ATOM 462 CB GLN A 107 9.874 -4.626 6.126 1.00 0.00 C ATOM 463 CG GLN A 107 9.879 -5.735 5.086 1.00 0.00 C ATOM 464 CD GLN A 107 8.910 -6.853 5.422 1.00 0.00 C ATOM 465 OE1 GLN A 107 8.718 -7.194 6.589 1.00 0.00 O ATOM 466 NE2 GLN A 107 8.295 -7.430 4.397 1.00 0.00 N ATOM 0 H GLN A 107 9.280 -2.094 6.594 1.00 0.00 H new ATOM 0 HA GLN A 107 11.730 -3.576 5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 107 10.287 -5.011 7.058 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.844 -4.335 6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.622 -5.317 4.113 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.886 -6.145 5.001 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.485 -7.115 3.446 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.633 -8.188 4.561 1.00 0.00 H new ATOM 475 N LYS A 108 11.164 -3.824 3.359 1.00 0.00 N ATOM 476 CA LYS A 108 11.043 -3.654 1.913 1.00 0.00 C ATOM 477 C LYS A 108 12.334 -4.067 1.208 1.00 0.00 C ATOM 478 O LYS A 108 13.291 -4.500 1.849 1.00 0.00 O ATOM 479 CB LYS A 108 10.718 -2.201 1.570 1.00 0.00 C ATOM 480 CG LYS A 108 9.274 -1.975 1.147 1.00 0.00 C ATOM 481 CD LYS A 108 8.997 -2.562 -0.226 1.00 0.00 C ATOM 482 CE LYS A 108 8.112 -1.644 -1.053 1.00 0.00 C ATOM 483 NZ LYS A 108 6.705 -1.643 -0.566 1.00 0.00 N ATOM 0 H LYS A 108 11.842 -4.531 3.642 1.00 0.00 H new ATOM 0 HA LYS A 108 10.231 -4.295 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.934 -1.576 2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.377 -1.871 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 108 8.605 -2.427 1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.060 -0.906 1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.939 -2.730 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 108 8.515 -3.534 -0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.509 -0.629 -1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.135 -1.960 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.225 -0.780 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 6.208 -2.478 -0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.697 -1.670 0.474 1.00 0.00 H new ATOM 497 N VAL A 109 12.353 -3.926 -0.117 1.00 0.00 N ATOM 498 CA VAL A 109 13.522 -4.281 -0.910 1.00 0.00 C ATOM 499 C VAL A 109 13.551 -3.511 -2.234 1.00 0.00 C ATOM 500 O VAL A 109 14.046 -2.385 -2.297 1.00 0.00 O ATOM 501 CB VAL A 109 13.564 -5.794 -1.192 1.00 0.00 C ATOM 502 CG1 VAL A 109 14.754 -6.144 -2.072 1.00 0.00 C ATOM 503 CG2 VAL A 109 13.604 -6.571 0.112 1.00 0.00 C ATOM 0 H VAL A 109 11.569 -3.567 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 109 14.400 -4.007 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 109 12.658 -6.073 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 109 14.765 -7.218 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 109 14.675 -5.611 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 109 15.676 -5.854 -1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 109 13.633 -7.639 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.493 -6.289 0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.714 -6.343 0.699 1.00 0.00 H new ATOM 513 N ASN A 110 13.018 -4.118 -3.291 1.00 0.00 N ATOM 514 CA ASN A 110 12.991 -3.478 -4.600 1.00 0.00 C ATOM 515 C ASN A 110 11.826 -3.993 -5.438 1.00 0.00 C ATOM 516 O ASN A 110 11.063 -4.853 -4.998 1.00 0.00 O ATOM 517 CB ASN A 110 14.309 -3.720 -5.335 1.00 0.00 C ATOM 518 CG ASN A 110 15.053 -2.431 -5.625 1.00 0.00 C ATOM 519 OD1 ASN A 110 15.096 -1.968 -6.764 1.00 0.00 O ATOM 520 ND2 ASN A 110 15.646 -1.845 -4.591 1.00 0.00 N ATOM 0 H ASN A 110 12.601 -5.048 -3.266 1.00 0.00 H new ATOM 0 HA ASN A 110 12.857 -2.407 -4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 110 14.942 -4.375 -4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 110 14.109 -4.240 -6.272 1.00 0.00 H new ATOM 0 HD21 ASN A 110 16.163 -0.976 -4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 110 15.585 -2.264 -3.663 1.00 0.00 H new ATOM 527 N VAL A 111 11.695 -3.458 -6.647 1.00 0.00 N ATOM 528 CA VAL A 111 10.623 -3.859 -7.550 1.00 0.00 C ATOM 529 C VAL A 111 10.438 -5.373 -7.547 1.00 0.00 C ATOM 530 O VAL A 111 11.409 -6.126 -7.473 1.00 0.00 O ATOM 531 CB VAL A 111 10.900 -3.391 -8.992 1.00 0.00 C ATOM 532 CG1 VAL A 111 9.735 -3.743 -9.902 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.178 -1.896 -9.023 1.00 0.00 C ATOM 0 H VAL A 111 12.319 -2.745 -7.024 1.00 0.00 H new ATOM 0 HA VAL A 111 9.711 -3.384 -7.189 1.00 0.00 H new ATOM 0 HB VAL A 111 11.785 -3.910 -9.359 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.950 -3.404 -10.916 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.588 -4.823 -9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 111 8.830 -3.254 -9.540 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.371 -1.583 -10.049 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.313 -1.357 -8.636 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.049 -1.675 -8.406 1.00 0.00 H new ATOM 543 N GLY A 112 9.185 -5.811 -7.628 1.00 0.00 N ATOM 544 CA GLY A 112 8.896 -7.232 -7.635 1.00 0.00 C ATOM 545 C GLY A 112 8.191 -7.692 -6.372 1.00 0.00 C ATOM 546 O GLY A 112 7.472 -8.691 -6.384 1.00 0.00 O ATOM 0 H GLY A 112 8.366 -5.207 -7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 112 8.275 -7.468 -8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.827 -7.787 -7.750 1.00 0.00 H new ATOM 550 N ASP A 113 8.398 -6.963 -5.280 1.00 0.00 N ATOM 551 CA ASP A 113 7.777 -7.304 -4.006 1.00 0.00 C ATOM 552 C ASP A 113 6.351 -6.768 -3.933 1.00 0.00 C ATOM 553 O ASP A 113 6.049 -5.703 -4.471 1.00 0.00 O ATOM 554 CB ASP A 113 8.603 -6.749 -2.846 1.00 0.00 C ATOM 555 CG ASP A 113 9.206 -7.844 -1.988 1.00 0.00 C ATOM 556 OD1 ASP A 113 8.568 -8.909 -1.851 1.00 0.00 O ATOM 557 OD2 ASP A 113 10.316 -7.637 -1.454 1.00 0.00 O ATOM 0 H ASP A 113 8.990 -6.133 -5.252 1.00 0.00 H new ATOM 0 HA ASP A 113 7.741 -8.391 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.401 -6.120 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.972 -6.112 -2.226 1.00 0.00 H new ATOM 562 N THR A 114 5.477 -7.513 -3.262 1.00 0.00 N ATOM 563 CA THR A 114 4.083 -7.112 -3.117 1.00 0.00 C ATOM 564 C THR A 114 3.973 -5.802 -2.347 1.00 0.00 C ATOM 565 O THR A 114 4.960 -5.087 -2.173 1.00 0.00 O ATOM 566 CB THR A 114 3.286 -8.204 -2.401 1.00 0.00 C ATOM 567 OG1 THR A 114 4.041 -9.400 -2.312 1.00 0.00 O ATOM 568 CG2 THR A 114 1.978 -8.537 -3.085 1.00 0.00 C ATOM 0 H THR A 114 5.710 -8.397 -2.811 1.00 0.00 H new ATOM 0 HA THR A 114 3.669 -6.965 -4.114 1.00 0.00 H new ATOM 0 HB THR A 114 3.068 -7.800 -1.412 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.515 -10.085 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.463 -9.318 -2.526 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.351 -7.646 -3.125 1.00 0.00 H new ATOM 0 HG23 THR A 114 2.176 -8.887 -4.098 1.00 0.00 H new ATOM 576 N LEU A 115 2.767 -5.492 -1.886 1.00 0.00 N ATOM 577 CA LEU A 115 2.527 -4.268 -1.133 1.00 0.00 C ATOM 578 C LEU A 115 1.390 -4.458 -0.136 1.00 0.00 C ATOM 579 O LEU A 115 1.613 -4.509 1.074 1.00 0.00 O ATOM 580 CB LEU A 115 2.198 -3.115 -2.084 1.00 0.00 C ATOM 581 CG LEU A 115 2.317 -1.719 -1.474 1.00 0.00 C ATOM 582 CD1 LEU A 115 3.691 -1.127 -1.757 1.00 0.00 C ATOM 583 CD2 LEU A 115 1.223 -0.808 -2.009 1.00 0.00 C ATOM 0 H LEU A 115 1.939 -6.073 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 115 3.435 -4.027 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.861 -3.175 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.181 -3.248 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 115 2.196 -1.805 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.757 -0.133 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.459 -1.768 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.842 -1.056 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.324 0.182 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.313 -0.729 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.248 -1.223 -1.755 1.00 0.00 H new ATOM 595 N CYS A 116 0.171 -4.562 -0.653 1.00 0.00 N ATOM 596 CA CYS A 116 -1.005 -4.746 0.190 1.00 0.00 C ATOM 597 C CYS A 116 -2.277 -4.776 -0.652 1.00 0.00 C ATOM 598 O CYS A 116 -2.277 -4.355 -1.808 1.00 0.00 O ATOM 599 CB CYS A 116 -1.094 -3.627 1.229 1.00 0.00 C ATOM 600 SG CYS A 116 -0.558 -2.010 0.621 1.00 0.00 S ATOM 0 H CYS A 116 -0.029 -4.522 -1.652 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.907 -5.702 0.704 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -2.124 -3.549 1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.486 -3.898 2.092 1.00 0.00 H new ATOM 0 HG CYS A 116 -0.907 -1.090 1.470 1.00 0.00 H new ATOM 606 N ILE A 117 -3.360 -5.276 -0.064 1.00 0.00 N ATOM 607 CA ILE A 117 -4.637 -5.362 -0.762 1.00 0.00 C ATOM 608 C ILE A 117 -5.544 -4.190 -0.400 1.00 0.00 C ATOM 609 O ILE A 117 -5.616 -3.783 0.760 1.00 0.00 O ATOM 610 CB ILE A 117 -5.369 -6.679 -0.440 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.615 -7.871 -1.031 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.793 -6.638 -0.973 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.431 -9.015 -0.057 1.00 0.00 C ATOM 0 H ILE A 117 -3.378 -5.627 0.893 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.414 -5.330 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.406 -6.796 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.154 -8.233 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.636 -7.537 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.297 -7.575 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.331 -5.811 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.773 -6.498 -2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -3.889 -9.825 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -3.865 -8.669 0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.407 -9.376 0.268 1.00 0.00 H new ATOM 625 N VAL A 118 -6.237 -3.653 -1.400 1.00 0.00 N ATOM 626 CA VAL A 118 -7.142 -2.530 -1.187 1.00 0.00 C ATOM 627 C VAL A 118 -8.524 -3.017 -0.767 1.00 0.00 C ATOM 628 O VAL A 118 -9.292 -2.280 -0.146 1.00 0.00 O ATOM 629 CB VAL A 118 -7.278 -1.668 -2.457 1.00 0.00 C ATOM 630 CG1 VAL A 118 -7.905 -0.322 -2.125 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.925 -1.485 -3.125 1.00 0.00 C ATOM 0 H VAL A 118 -6.189 -3.978 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.713 -1.922 -0.391 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.935 -2.185 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.993 0.273 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.895 -0.478 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.277 0.205 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.041 -0.874 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.242 -0.991 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.521 -2.459 -3.401 1.00 0.00 H new ATOM 641 N GLU A 119 -8.835 -4.262 -1.109 1.00 0.00 N ATOM 642 CA GLU A 119 -10.124 -4.850 -0.769 1.00 0.00 C ATOM 643 C GLU A 119 -11.271 -3.964 -1.248 1.00 0.00 C ATOM 644 O GLU A 119 -12.272 -3.795 -0.552 1.00 0.00 O ATOM 645 CB GLU A 119 -10.225 -5.065 0.744 1.00 0.00 C ATOM 646 CG GLU A 119 -11.548 -5.665 1.190 1.00 0.00 C ATOM 647 CD GLU A 119 -12.203 -4.868 2.301 1.00 0.00 C ATOM 648 OE1 GLU A 119 -12.554 -3.694 2.060 1.00 0.00 O ATOM 649 OE2 GLU A 119 -12.365 -5.418 3.411 1.00 0.00 O ATOM 0 H GLU A 119 -8.211 -4.884 -1.622 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.201 -5.814 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.414 -5.719 1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.082 -4.109 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.225 -5.717 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.383 -6.688 1.530 1.00 0.00 H new ATOM 656 N ALA A 120 -11.116 -3.402 -2.442 1.00 0.00 N ATOM 657 CA ALA A 120 -12.139 -2.536 -3.017 1.00 0.00 C ATOM 658 C ALA A 120 -13.097 -3.333 -3.895 1.00 0.00 C ATOM 659 O ALA A 120 -12.844 -3.536 -5.082 1.00 0.00 O ATOM 660 CB ALA A 120 -11.495 -1.416 -3.819 1.00 0.00 C ATOM 0 H ALA A 120 -10.293 -3.530 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.711 -2.098 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.271 -0.778 -4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.854 -0.823 -3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -10.897 -1.843 -4.625 1.00 0.00 H new ATOM 666 N MET A 121 -14.196 -3.786 -3.300 1.00 0.00 N ATOM 667 CA MET A 121 -15.195 -4.566 -4.022 1.00 0.00 C ATOM 668 C MET A 121 -14.822 -6.047 -4.023 1.00 0.00 C ATOM 669 O MET A 121 -15.295 -6.817 -4.857 1.00 0.00 O ATOM 670 CB MET A 121 -15.345 -4.046 -5.459 1.00 0.00 C ATOM 671 CG MET A 121 -14.550 -4.828 -6.495 1.00 0.00 C ATOM 672 SD MET A 121 -14.019 -3.805 -7.881 1.00 0.00 S ATOM 673 CE MET A 121 -15.341 -4.109 -9.052 1.00 0.00 C ATOM 0 H MET A 121 -14.418 -3.626 -2.317 1.00 0.00 H new ATOM 0 HA MET A 121 -16.153 -4.455 -3.513 1.00 0.00 H new ATOM 0 HB2 MET A 121 -16.400 -4.070 -5.733 1.00 0.00 H new ATOM 0 HB3 MET A 121 -15.032 -3.002 -5.490 1.00 0.00 H new ATOM 0 HG2 MET A 121 -13.675 -5.269 -6.018 1.00 0.00 H new ATOM 0 HG3 MET A 121 -15.159 -5.651 -6.869 1.00 0.00 H new ATOM 0 HE1 MET A 121 -15.155 -3.543 -9.965 1.00 0.00 H new ATOM 0 HE2 MET A 121 -15.382 -5.173 -9.286 1.00 0.00 H new ATOM 0 HE3 MET A 121 -16.291 -3.796 -8.618 1.00 0.00 H new ATOM 683 N LYS A 122 -13.969 -6.434 -3.079 1.00 0.00 N ATOM 684 CA LYS A 122 -13.528 -7.817 -2.966 1.00 0.00 C ATOM 685 C LYS A 122 -12.741 -8.242 -4.201 1.00 0.00 C ATOM 686 O LYS A 122 -12.919 -9.346 -4.715 1.00 0.00 O ATOM 687 CB LYS A 122 -14.729 -8.744 -2.768 1.00 0.00 C ATOM 688 CG LYS A 122 -14.538 -9.758 -1.652 1.00 0.00 C ATOM 689 CD LYS A 122 -13.114 -10.291 -1.622 1.00 0.00 C ATOM 690 CE LYS A 122 -12.986 -11.489 -0.696 1.00 0.00 C ATOM 691 NZ LYS A 122 -12.504 -11.108 0.628 1.00 0.00 N ATOM 0 H LYS A 122 -13.570 -5.807 -2.381 1.00 0.00 H new ATOM 0 HA LYS A 122 -12.873 -7.892 -2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.611 -8.141 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -14.925 -9.274 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -14.775 -9.295 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.235 -10.585 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -12.809 -10.575 -2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -12.436 -9.503 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -13.955 -11.979 -0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -12.302 -12.215 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -12.654 -11.895 1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -11.489 -10.886 0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.025 -10.271 0.960 1.00 0.00 H new ATOM 702 N MET A 123 -11.869 -7.356 -4.671 1.00 0.00 N ATOM 703 CA MET A 123 -11.052 -7.639 -5.846 1.00 0.00 C ATOM 704 C MET A 123 -9.601 -7.891 -5.450 1.00 0.00 C ATOM 705 O MET A 123 -8.712 -7.925 -6.301 1.00 0.00 O ATOM 706 CB MET A 123 -11.129 -6.476 -6.839 1.00 0.00 C ATOM 707 CG MET A 123 -10.132 -5.365 -6.555 1.00 0.00 C ATOM 708 SD MET A 123 -10.276 -3.989 -7.712 1.00 0.00 S ATOM 709 CE MET A 123 -10.145 -2.594 -6.596 1.00 0.00 C ATOM 0 H MET A 123 -11.710 -6.437 -4.257 1.00 0.00 H new ATOM 0 HA MET A 123 -11.442 -8.539 -6.322 1.00 0.00 H new ATOM 0 HB2 MET A 123 -10.958 -6.857 -7.846 1.00 0.00 H new ATOM 0 HB3 MET A 123 -12.137 -6.061 -6.822 1.00 0.00 H new ATOM 0 HG2 MET A 123 -10.282 -4.998 -5.540 1.00 0.00 H new ATOM 0 HG3 MET A 123 -9.121 -5.769 -6.601 1.00 0.00 H new ATOM 0 HE1 MET A 123 -9.466 -1.853 -7.018 1.00 0.00 H new ATOM 0 HE2 MET A 123 -11.129 -2.147 -6.456 1.00 0.00 H new ATOM 0 HE3 MET A 123 -9.760 -2.932 -5.634 1.00 0.00 H new ATOM 719 N MET A 124 -9.367 -8.067 -4.153 1.00 0.00 N ATOM 720 CA MET A 124 -8.025 -8.314 -3.645 1.00 0.00 C ATOM 721 C MET A 124 -6.995 -7.494 -4.412 1.00 0.00 C ATOM 722 O MET A 124 -6.026 -8.037 -4.944 1.00 0.00 O ATOM 723 CB MET A 124 -7.686 -9.803 -3.742 1.00 0.00 C ATOM 724 CG MET A 124 -8.722 -10.705 -3.090 1.00 0.00 C ATOM 725 SD MET A 124 -8.833 -10.457 -1.308 1.00 0.00 S ATOM 726 CE MET A 124 -9.972 -9.078 -1.226 1.00 0.00 C ATOM 0 H MET A 124 -10.091 -8.043 -3.435 1.00 0.00 H new ATOM 0 HA MET A 124 -7.997 -8.011 -2.598 1.00 0.00 H new ATOM 0 HB2 MET A 124 -7.587 -10.077 -4.792 1.00 0.00 H new ATOM 0 HB3 MET A 124 -6.717 -9.978 -3.274 1.00 0.00 H new ATOM 0 HG2 MET A 124 -9.697 -10.518 -3.541 1.00 0.00 H new ATOM 0 HG3 MET A 124 -8.472 -11.746 -3.293 1.00 0.00 H new ATOM 0 HE1 MET A 124 -10.557 -9.143 -0.309 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.412 -8.143 -1.233 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.641 -9.107 -2.086 1.00 0.00 H new ATOM 736 N ASN A 125 -7.210 -6.184 -4.465 1.00 0.00 N ATOM 737 CA ASN A 125 -6.299 -5.287 -5.166 1.00 0.00 C ATOM 738 C ASN A 125 -4.936 -5.259 -4.483 1.00 0.00 C ATOM 739 O ASN A 125 -4.478 -4.210 -4.029 1.00 0.00 O ATOM 740 CB ASN A 125 -6.883 -3.874 -5.224 1.00 0.00 C ATOM 741 CG ASN A 125 -6.115 -2.971 -6.169 1.00 0.00 C ATOM 742 OD1 ASN A 125 -4.916 -2.752 -5.999 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.804 -2.440 -7.172 1.00 0.00 N ATOM 0 H ASN A 125 -8.008 -5.720 -4.031 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.171 -5.660 -6.182 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -7.924 -3.927 -5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -6.876 -3.439 -4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -6.340 -1.823 -7.839 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -7.797 -2.649 -7.275 1.00 0.00 H new ATOM 750 N GLN A 126 -4.292 -6.421 -4.412 1.00 0.00 N ATOM 751 CA GLN A 126 -2.983 -6.533 -3.783 1.00 0.00 C ATOM 752 C GLN A 126 -1.909 -5.881 -4.647 1.00 0.00 C ATOM 753 O GLN A 126 -1.418 -6.480 -5.604 1.00 0.00 O ATOM 754 CB GLN A 126 -2.641 -8.003 -3.538 1.00 0.00 C ATOM 755 CG GLN A 126 -2.387 -8.790 -4.813 1.00 0.00 C ATOM 756 CD GLN A 126 -2.649 -10.274 -4.644 1.00 0.00 C ATOM 757 OE1 GLN A 126 -3.797 -10.710 -4.575 1.00 0.00 O ATOM 758 NE2 GLN A 126 -1.579 -11.059 -4.576 1.00 0.00 N ATOM 0 H GLN A 126 -4.657 -7.298 -4.783 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.016 -6.012 -2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.757 -8.061 -2.903 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.458 -8.471 -2.989 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.023 -8.401 -5.608 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.354 -8.641 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -0.645 -10.654 -4.638 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -1.692 -12.066 -4.462 1.00 0.00 H new ATOM 767 N ILE A 127 -1.551 -4.648 -4.305 1.00 0.00 N ATOM 768 CA ILE A 127 -0.539 -3.912 -5.048 1.00 0.00 C ATOM 769 C ILE A 127 0.851 -4.493 -4.817 1.00 0.00 C ATOM 770 O ILE A 127 1.095 -5.174 -3.821 1.00 0.00 O ATOM 771 CB ILE A 127 -0.530 -2.421 -4.659 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.953 -1.861 -4.661 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.358 -1.634 -5.610 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.482 -1.563 -6.046 1.00 0.00 C ATOM 0 H ILE A 127 -1.949 -4.138 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 127 -0.796 -4.005 -6.103 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.126 -2.325 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.617 -2.575 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.976 -0.947 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.355 -0.582 -5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.376 -2.021 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.020 -1.734 -6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.496 -1.169 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.841 -0.826 -6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.491 -2.479 -6.637 1.00 0.00 H new ATOM 786 N GLU A 128 1.761 -4.216 -5.747 1.00 0.00 N ATOM 787 CA GLU A 128 3.131 -4.707 -5.649 1.00 0.00 C ATOM 788 C GLU A 128 4.126 -3.605 -6.000 1.00 0.00 C ATOM 789 O GLU A 128 4.164 -3.127 -7.134 1.00 0.00 O ATOM 790 CB GLU A 128 3.330 -5.907 -6.576 1.00 0.00 C ATOM 791 CG GLU A 128 2.326 -7.025 -6.346 1.00 0.00 C ATOM 792 CD GLU A 128 2.762 -8.337 -6.967 1.00 0.00 C ATOM 793 OE1 GLU A 128 2.478 -8.552 -8.164 1.00 0.00 O ATOM 794 OE2 GLU A 128 3.387 -9.152 -6.256 1.00 0.00 O ATOM 0 H GLU A 128 1.574 -3.654 -6.577 1.00 0.00 H new ATOM 0 HA GLU A 128 3.310 -5.019 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.258 -5.572 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.337 -6.300 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.182 -7.164 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.361 -6.733 -6.762 1.00 0.00 H new ATOM 801 N ALA A 129 4.926 -3.202 -5.019 1.00 0.00 N ATOM 802 CA ALA A 129 5.919 -2.153 -5.222 1.00 0.00 C ATOM 803 C ALA A 129 6.540 -2.241 -6.613 1.00 0.00 C ATOM 804 O ALA A 129 7.369 -3.110 -6.879 1.00 0.00 O ATOM 805 CB ALA A 129 6.999 -2.234 -4.154 1.00 0.00 C ATOM 0 H ALA A 129 4.906 -3.586 -4.074 1.00 0.00 H new ATOM 0 HA ALA A 129 5.413 -1.191 -5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.733 -1.445 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.547 -2.110 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.492 -3.205 -4.208 1.00 0.00 H new ATOM 811 N ASP A 130 6.134 -1.333 -7.495 1.00 0.00 N ATOM 812 CA ASP A 130 6.652 -1.304 -8.857 1.00 0.00 C ATOM 813 C ASP A 130 7.830 -0.340 -8.968 1.00 0.00 C ATOM 814 O ASP A 130 8.645 -0.442 -9.884 1.00 0.00 O ATOM 815 CB ASP A 130 5.550 -0.897 -9.837 1.00 0.00 C ATOM 816 CG ASP A 130 5.062 0.519 -9.603 1.00 0.00 C ATOM 817 OD1 ASP A 130 4.786 0.866 -8.435 1.00 0.00 O ATOM 818 OD2 ASP A 130 4.954 1.281 -10.586 1.00 0.00 O ATOM 0 H ASP A 130 5.447 -0.607 -7.290 1.00 0.00 H new ATOM 0 HA ASP A 130 6.999 -2.306 -9.109 1.00 0.00 H new ATOM 0 HB2 ASP A 130 5.924 -0.986 -10.857 1.00 0.00 H new ATOM 0 HB3 ASP A 130 4.712 -1.587 -9.744 1.00 0.00 H new ATOM 823 N LYS A 131 7.912 0.591 -8.024 1.00 0.00 N ATOM 824 CA LYS A 131 8.992 1.573 -8.009 1.00 0.00 C ATOM 825 C LYS A 131 9.811 1.453 -6.728 1.00 0.00 C ATOM 826 O LYS A 131 9.363 1.854 -5.654 1.00 0.00 O ATOM 827 CB LYS A 131 8.425 2.990 -8.134 1.00 0.00 C ATOM 828 CG LYS A 131 8.257 3.453 -9.571 1.00 0.00 C ATOM 829 CD LYS A 131 9.314 4.477 -9.952 1.00 0.00 C ATOM 830 CE LYS A 131 8.841 5.367 -11.090 1.00 0.00 C ATOM 831 NZ LYS A 131 9.734 6.543 -11.284 1.00 0.00 N ATOM 0 H LYS A 131 7.244 0.687 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 131 9.644 1.375 -8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.458 3.031 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.084 3.684 -7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.321 2.595 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 131 7.265 3.886 -9.702 1.00 0.00 H new ATOM 0 HD2 LYS A 131 9.557 5.091 -9.085 1.00 0.00 H new ATOM 0 HD3 LYS A 131 10.230 3.964 -10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 131 8.800 4.787 -12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 131 7.827 5.711 -10.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 9.377 7.124 -12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 9.754 7.111 -10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 10.696 6.216 -11.506 1.00 0.00 H new ATOM 845 N SER A 132 11.009 0.890 -6.847 1.00 0.00 N ATOM 846 CA SER A 132 11.885 0.709 -5.697 1.00 0.00 C ATOM 847 C SER A 132 11.159 -0.048 -4.589 1.00 0.00 C ATOM 848 O SER A 132 9.932 -0.142 -4.594 1.00 0.00 O ATOM 849 CB SER A 132 12.370 2.063 -5.174 1.00 0.00 C ATOM 850 OG SER A 132 12.602 2.968 -6.239 1.00 0.00 O ATOM 0 H SER A 132 11.395 0.552 -7.729 1.00 0.00 H new ATOM 0 HA SER A 132 12.750 0.126 -6.014 1.00 0.00 H new ATOM 0 HB2 SER A 132 11.628 2.480 -4.493 1.00 0.00 H new ATOM 0 HB3 SER A 132 13.288 1.928 -4.601 1.00 0.00 H new ATOM 0 HG SER A 132 12.909 3.826 -5.878 1.00 0.00 H new ATOM 856 N GLY A 133 11.918 -0.585 -3.641 1.00 0.00 N ATOM 857 CA GLY A 133 11.316 -1.318 -2.551 1.00 0.00 C ATOM 858 C GLY A 133 11.796 -0.831 -1.204 1.00 0.00 C ATOM 859 O GLY A 133 12.774 -1.342 -0.662 1.00 0.00 O ATOM 0 H GLY A 133 12.936 -0.525 -3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.232 -1.222 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.547 -2.378 -2.656 1.00 0.00 H new ATOM 863 N THR A 134 11.103 0.161 -0.657 1.00 0.00 N ATOM 864 CA THR A 134 11.463 0.717 0.639 1.00 0.00 C ATOM 865 C THR A 134 10.300 1.510 1.229 1.00 0.00 C ATOM 866 O THR A 134 10.027 2.631 0.803 1.00 0.00 O ATOM 867 CB THR A 134 12.693 1.615 0.510 1.00 0.00 C ATOM 868 OG1 THR A 134 13.522 1.179 -0.553 1.00 0.00 O ATOM 869 CG2 THR A 134 13.538 1.654 1.763 1.00 0.00 C ATOM 0 H THR A 134 10.289 0.596 -1.092 1.00 0.00 H new ATOM 0 HA THR A 134 11.696 -0.110 1.310 1.00 0.00 H new ATOM 0 HB THR A 134 12.303 2.615 0.323 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.303 1.767 -0.621 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.395 2.309 1.604 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.941 2.032 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 134 13.889 0.649 1.997 1.00 0.00 H new ATOM 877 N VAL A 135 9.615 0.924 2.209 1.00 0.00 N ATOM 878 CA VAL A 135 8.482 1.589 2.844 1.00 0.00 C ATOM 879 C VAL A 135 8.949 2.602 3.882 1.00 0.00 C ATOM 880 O VAL A 135 9.631 2.249 4.844 1.00 0.00 O ATOM 881 CB VAL A 135 7.536 0.577 3.517 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.376 1.296 4.190 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.025 -0.433 2.502 1.00 0.00 C ATOM 0 H VAL A 135 9.824 -0.004 2.578 1.00 0.00 H new ATOM 0 HA VAL A 135 7.939 2.108 2.053 1.00 0.00 H new ATOM 0 HB VAL A 135 8.096 0.039 4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.718 0.565 4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.761 1.978 4.948 1.00 0.00 H new ATOM 0 HG13 VAL A 135 5.816 1.861 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.358 -1.140 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 135 6.482 0.087 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.868 -0.972 2.069 1.00 0.00 H new ATOM 893 N LYS A 136 8.578 3.864 3.682 1.00 0.00 N ATOM 894 CA LYS A 136 8.961 4.926 4.604 1.00 0.00 C ATOM 895 C LYS A 136 7.897 5.126 5.678 1.00 0.00 C ATOM 896 O LYS A 136 8.209 5.212 6.865 1.00 0.00 O ATOM 897 CB LYS A 136 9.190 6.234 3.844 1.00 0.00 C ATOM 898 CG LYS A 136 10.574 6.825 4.056 1.00 0.00 C ATOM 899 CD LYS A 136 10.818 7.169 5.516 1.00 0.00 C ATOM 900 CE LYS A 136 12.284 7.018 5.887 1.00 0.00 C ATOM 901 NZ LYS A 136 12.519 7.252 7.338 1.00 0.00 N ATOM 0 H LYS A 136 8.014 4.174 2.891 1.00 0.00 H new ATOM 0 HA LYS A 136 9.890 4.631 5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.038 6.057 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.441 6.962 4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.329 6.115 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.684 7.722 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.497 8.193 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 136 10.213 6.521 6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 136 12.624 6.017 5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.880 7.722 5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 13.531 7.139 7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 12.219 8.216 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 11.971 6.564 7.894 1.00 0.00 H new ATOM 915 N ALA A 137 6.637 5.197 5.255 1.00 0.00 N ATOM 916 CA ALA A 137 5.532 5.386 6.190 1.00 0.00 C ATOM 917 C ALA A 137 4.184 5.351 5.476 1.00 0.00 C ATOM 918 O ALA A 137 4.115 5.448 4.252 1.00 0.00 O ATOM 919 CB ALA A 137 5.698 6.700 6.940 1.00 0.00 C ATOM 0 H ALA A 137 6.357 5.127 4.277 1.00 0.00 H new ATOM 0 HA ALA A 137 5.552 4.562 6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.868 6.830 7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.636 6.686 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.709 7.526 6.229 1.00 0.00 H new ATOM 925 N ILE A 138 3.116 5.210 6.256 1.00 0.00 N ATOM 926 CA ILE A 138 1.764 5.162 5.709 1.00 0.00 C ATOM 927 C ILE A 138 0.918 6.310 6.251 1.00 0.00 C ATOM 928 O ILE A 138 1.139 6.784 7.365 1.00 0.00 O ATOM 929 CB ILE A 138 1.073 3.824 6.037 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.730 2.682 5.259 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.415 3.897 5.725 1.00 0.00 C ATOM 932 CD1 ILE A 138 0.844 1.465 5.109 1.00 0.00 C ATOM 0 H ILE A 138 3.161 5.127 7.272 1.00 0.00 H new ATOM 0 HA ILE A 138 1.852 5.257 4.627 1.00 0.00 H new ATOM 0 HB ILE A 138 1.188 3.629 7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.010 3.042 4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.651 2.391 5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.884 2.942 5.964 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.874 4.686 6.321 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.554 4.115 4.666 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.374 0.696 4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.584 1.080 6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -0.066 1.741 4.576 1.00 0.00 H new ATOM 944 N LEU A 139 -0.051 6.756 5.456 1.00 0.00 N ATOM 945 CA LEU A 139 -0.925 7.851 5.862 1.00 0.00 C ATOM 946 C LEU A 139 -2.394 7.448 5.770 1.00 0.00 C ATOM 947 O LEU A 139 -3.215 7.874 6.582 1.00 0.00 O ATOM 948 CB LEU A 139 -0.665 9.084 4.992 1.00 0.00 C ATOM 949 CG LEU A 139 0.784 9.256 4.535 1.00 0.00 C ATOM 950 CD1 LEU A 139 0.908 10.436 3.583 1.00 0.00 C ATOM 951 CD2 LEU A 139 1.703 9.439 5.734 1.00 0.00 C ATOM 0 H LEU A 139 -0.250 6.377 4.530 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.703 8.091 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -1.305 9.030 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.963 9.973 5.548 1.00 0.00 H new ATOM 0 HG LEU A 139 1.086 8.353 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.946 10.542 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.280 10.266 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.587 11.347 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.730 9.560 5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.401 10.325 6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 139 1.637 8.563 6.380 1.00 0.00 H new ATOM 963 N VAL A 140 -2.719 6.626 4.779 1.00 0.00 N ATOM 964 CA VAL A 140 -4.090 6.169 4.584 1.00 0.00 C ATOM 965 C VAL A 140 -4.683 5.637 5.886 1.00 0.00 C ATOM 966 O VAL A 140 -5.888 5.739 6.115 1.00 0.00 O ATOM 967 CB VAL A 140 -4.169 5.072 3.502 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.507 4.347 3.557 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.941 5.672 2.123 1.00 0.00 C ATOM 0 H VAL A 140 -2.052 6.262 4.098 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.669 7.032 4.254 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.383 4.342 3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.537 3.579 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.629 3.882 4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.314 5.060 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -4.000 4.886 1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.704 6.424 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.956 6.136 2.087 1.00 0.00 H new ATOM 979 N GLU A 141 -3.833 5.066 6.734 1.00 0.00 N ATOM 980 CA GLU A 141 -4.282 4.517 8.006 1.00 0.00 C ATOM 981 C GLU A 141 -5.156 3.291 7.779 1.00 0.00 C ATOM 982 O GLU A 141 -6.364 3.405 7.578 1.00 0.00 O ATOM 983 CB GLU A 141 -5.054 5.571 8.802 1.00 0.00 C ATOM 984 CG GLU A 141 -4.182 6.374 9.754 1.00 0.00 C ATOM 985 CD GLU A 141 -4.995 7.173 10.754 1.00 0.00 C ATOM 986 OE1 GLU A 141 -6.080 6.700 11.151 1.00 0.00 O ATOM 987 OE2 GLU A 141 -4.546 8.274 11.139 1.00 0.00 O ATOM 0 H GLU A 141 -2.832 4.972 6.563 1.00 0.00 H new ATOM 0 HA GLU A 141 -3.404 4.220 8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -5.542 6.254 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.842 5.079 9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -3.517 5.697 10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -3.551 7.052 9.179 1.00 0.00 H new ATOM 994 N SER A 142 -4.533 2.118 7.807 1.00 0.00 N ATOM 995 CA SER A 142 -5.250 0.867 7.600 1.00 0.00 C ATOM 996 C SER A 142 -6.633 0.920 8.242 1.00 0.00 C ATOM 997 O SER A 142 -6.888 1.743 9.121 1.00 0.00 O ATOM 998 CB SER A 142 -4.449 -0.298 8.175 1.00 0.00 C ATOM 999 OG SER A 142 -5.082 -0.835 9.323 1.00 0.00 O ATOM 0 H SER A 142 -3.532 2.008 7.971 1.00 0.00 H new ATOM 0 HA SER A 142 -5.376 0.718 6.528 1.00 0.00 H new ATOM 0 HB2 SER A 142 -4.339 -1.076 7.419 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.445 0.039 8.434 1.00 0.00 H new ATOM 0 HG SER A 142 -4.550 -1.581 9.671 1.00 0.00 H new ATOM 1005 N GLY A 143 -7.526 0.038 7.799 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.868 0.011 8.345 1.00 0.00 C ATOM 1007 C GLY A 143 -9.678 1.226 7.938 1.00 0.00 C ATOM 1008 O GLY A 143 -10.814 1.401 8.378 1.00 0.00 O ATOM 0 H GLY A 143 -7.343 -0.656 7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -9.377 -0.892 8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.815 -0.040 9.433 1.00 0.00 H new ATOM 1012 N GLN A 144 -9.090 2.069 7.093 1.00 0.00 N ATOM 1013 CA GLN A 144 -9.762 3.276 6.624 1.00 0.00 C ATOM 1014 C GLN A 144 -10.047 3.195 5.129 1.00 0.00 C ATOM 1015 O GLN A 144 -9.188 2.803 4.339 1.00 0.00 O ATOM 1016 CB GLN A 144 -8.908 4.511 6.925 1.00 0.00 C ATOM 1017 CG GLN A 144 -9.649 5.824 6.732 1.00 0.00 C ATOM 1018 CD GLN A 144 -8.719 6.974 6.399 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -8.598 7.931 7.163 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -8.055 6.885 5.251 1.00 0.00 N ATOM 0 H GLN A 144 -8.150 1.938 6.720 1.00 0.00 H new ATOM 0 HA GLN A 144 -10.711 3.361 7.153 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -8.550 4.453 7.953 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -8.029 4.501 6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -10.381 5.710 5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -10.203 6.061 7.640 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -8.186 6.073 4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -7.415 7.629 4.973 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.270 3.567 4.723 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.683 3.539 3.319 1.00 0.00 C ATOM 1031 C PRO A 145 -11.110 4.706 2.521 1.00 0.00 C ATOM 1032 O PRO A 145 -11.686 5.794 2.496 1.00 0.00 O ATOM 1033 CB PRO A 145 -13.203 3.648 3.405 1.00 0.00 C ATOM 1034 CG PRO A 145 -13.453 4.419 4.657 1.00 0.00 C ATOM 1035 CD PRO A 145 -12.349 4.042 5.610 1.00 0.00 C ATOM 0 HA PRO A 145 -11.330 2.645 2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.614 4.160 2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.670 2.664 3.445 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -13.449 5.491 4.461 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.429 4.175 5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -12.029 4.894 6.209 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.668 3.265 6.305 1.00 0.00 H new ATOM 1043 N VAL A 146 -9.976 4.473 1.870 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.330 5.507 1.072 1.00 0.00 C ATOM 1045 C VAL A 146 -10.345 6.246 0.208 1.00 0.00 C ATOM 1046 O VAL A 146 -11.352 5.675 -0.210 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.238 4.914 0.161 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.009 4.537 0.974 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -8.773 3.710 -0.599 1.00 0.00 C ATOM 0 H VAL A 146 -9.486 3.578 1.879 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.871 6.206 1.772 1.00 0.00 H new ATOM 0 HB VAL A 146 -7.945 5.673 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -6.249 4.120 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -6.613 5.424 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -7.283 3.796 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -7.988 3.304 -1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -9.096 2.947 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -9.619 4.015 -1.214 1.00 0.00 H new ATOM 1059 N GLU A 147 -10.075 7.520 -0.054 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.967 8.337 -0.869 1.00 0.00 C ATOM 1061 C GLU A 147 -10.250 8.846 -2.115 1.00 0.00 C ATOM 1062 O GLU A 147 -10.347 10.023 -2.462 1.00 0.00 O ATOM 1063 CB GLU A 147 -11.499 9.517 -0.055 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.648 9.216 1.427 1.00 0.00 C ATOM 1065 CD GLU A 147 -11.958 10.454 2.246 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -11.501 11.550 1.859 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -12.656 10.328 3.273 1.00 0.00 O ATOM 0 H GLU A 147 -9.247 8.009 0.286 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.805 7.714 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -10.826 10.366 -0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -12.467 9.817 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -12.443 8.484 1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -10.728 8.762 1.796 1.00 0.00 H new ATOM 1074 N PHE A 148 -9.529 7.952 -2.782 1.00 0.00 N ATOM 1075 CA PHE A 148 -8.794 8.310 -3.990 1.00 0.00 C ATOM 1076 C PHE A 148 -7.728 9.357 -3.687 1.00 0.00 C ATOM 1077 O PHE A 148 -7.951 10.272 -2.894 1.00 0.00 O ATOM 1078 CB PHE A 148 -9.751 8.834 -5.056 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.061 9.520 -6.200 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.486 8.779 -7.226 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -8.985 10.908 -6.251 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -7.849 9.409 -8.283 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -8.347 11.543 -7.304 1.00 0.00 C ATOM 1084 CZ PHE A 148 -7.779 10.793 -8.322 1.00 0.00 C ATOM 0 H PHE A 148 -9.438 6.974 -2.507 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.300 7.413 -4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.340 8.003 -5.444 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -10.450 9.531 -4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -8.536 7.701 -7.199 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -9.428 11.497 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -7.408 8.823 -9.075 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -8.292 12.621 -7.332 1.00 0.00 H new ATOM 0 HZ PHE A 148 -7.283 11.286 -9.145 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.569 9.215 -4.321 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.471 10.150 -4.116 1.00 0.00 C ATOM 1096 C ASP A 149 -5.043 10.170 -2.652 1.00 0.00 C ATOM 1097 O ASP A 149 -4.798 11.232 -2.079 1.00 0.00 O ATOM 1098 CB ASP A 149 -5.879 11.557 -4.560 1.00 0.00 C ATOM 1099 CG ASP A 149 -4.762 12.283 -5.283 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -3.901 11.603 -5.880 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -4.748 13.532 -5.252 1.00 0.00 O ATOM 0 H ASP A 149 -6.367 8.463 -4.980 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.626 9.818 -4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -6.748 11.490 -5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -6.180 12.137 -3.688 1.00 0.00 H new ATOM 1106 N GLU A 150 -4.953 8.986 -2.052 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.553 8.864 -0.655 1.00 0.00 C ATOM 1108 C GLU A 150 -3.254 8.077 -0.535 1.00 0.00 C ATOM 1109 O GLU A 150 -3.187 6.910 -0.918 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.656 8.175 0.152 1.00 0.00 C ATOM 1111 CG GLU A 150 -5.919 8.820 1.503 1.00 0.00 C ATOM 1112 CD GLU A 150 -7.325 9.377 1.619 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -7.743 10.127 0.713 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -8.007 9.061 2.617 1.00 0.00 O ATOM 0 H GLU A 150 -5.152 8.098 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.392 9.865 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.578 8.182 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.384 7.131 0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -5.758 8.084 2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -5.200 9.623 1.665 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.198 8.710 -0.001 1.00 0.00 N ATOM 1122 CA PRO A 151 -0.894 8.066 0.167 1.00 0.00 C ATOM 1123 C PRO A 151 -0.984 6.785 0.991 1.00 0.00 C ATOM 1124 O PRO A 151 -0.914 6.818 2.219 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.051 9.119 0.902 1.00 0.00 C ATOM 1126 CG PRO A 151 -1.031 10.113 1.430 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.192 10.097 0.480 1.00 0.00 C ATOM 0 HA PRO A 151 -0.469 7.763 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 151 0.525 8.667 1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.663 9.591 0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -1.349 9.849 2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.587 11.107 1.486 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -3.126 10.357 0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.057 10.808 -0.336 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.144 5.659 0.303 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.246 4.365 0.967 1.00 0.00 C ATOM 1137 C LEU A 152 0.093 3.951 1.568 1.00 0.00 C ATOM 1138 O LEU A 152 0.145 3.396 2.666 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.729 3.298 -0.017 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.679 3.802 -1.104 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -1.999 3.770 -2.465 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -3.953 2.971 -1.124 1.00 0.00 C ATOM 0 H LEU A 152 -1.206 5.617 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.971 4.458 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.860 2.847 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.229 2.508 0.544 1.00 0.00 H new ATOM 0 HG LEU A 152 -2.945 4.835 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -2.690 4.132 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -1.115 4.407 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -1.704 2.747 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -4.618 3.343 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.705 1.929 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -4.451 3.044 -0.157 1.00 0.00 H new ATOM 1154 N VAL A 153 1.174 4.221 0.844 1.00 0.00 N ATOM 1155 CA VAL A 153 2.509 3.869 1.313 1.00 0.00 C ATOM 1156 C VAL A 153 3.583 4.671 0.584 1.00 0.00 C ATOM 1157 O VAL A 153 3.794 4.498 -0.616 1.00 0.00 O ATOM 1158 CB VAL A 153 2.790 2.367 1.125 1.00 0.00 C ATOM 1159 CG1 VAL A 153 4.165 2.007 1.666 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.709 1.535 1.797 1.00 0.00 C ATOM 0 H VAL A 153 1.152 4.681 -0.066 1.00 0.00 H new ATOM 0 HA VAL A 153 2.543 4.109 2.376 1.00 0.00 H new ATOM 0 HB VAL A 153 2.778 2.145 0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.344 0.941 1.524 1.00 0.00 H new ATOM 0 HG12 VAL A 153 4.926 2.577 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 153 4.211 2.244 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 153 1.924 0.476 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.687 1.760 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 153 0.741 1.772 1.356 1.00 0.00 H new ATOM 1170 N VAL A 154 4.263 5.545 1.320 1.00 0.00 N ATOM 1171 CA VAL A 154 5.319 6.369 0.746 1.00 0.00 C ATOM 1172 C VAL A 154 6.657 5.636 0.772 1.00 0.00 C ATOM 1173 O VAL A 154 7.168 5.293 1.840 1.00 0.00 O ATOM 1174 CB VAL A 154 5.463 7.707 1.498 1.00 0.00 C ATOM 1175 CG1 VAL A 154 4.113 8.396 1.626 1.00 0.00 C ATOM 1176 CG2 VAL A 154 6.088 7.485 2.867 1.00 0.00 C ATOM 0 H VAL A 154 4.101 5.700 2.315 1.00 0.00 H new ATOM 0 HA VAL A 154 5.037 6.573 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 154 6.123 8.357 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 154 4.235 9.339 2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.708 8.591 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.427 7.753 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 154 6.182 8.440 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.455 6.817 3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 154 7.075 7.038 2.748 1.00 0.00 H new ATOM 1186 N ILE A 155 7.216 5.395 -0.411 1.00 0.00 N ATOM 1187 CA ILE A 155 8.492 4.698 -0.528 1.00 0.00 C ATOM 1188 C ILE A 155 9.649 5.587 -0.087 1.00 0.00 C ATOM 1189 O ILE A 155 9.659 6.788 -0.354 1.00 0.00 O ATOM 1190 CB ILE A 155 8.743 4.229 -1.975 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.500 3.532 -2.530 1.00 0.00 C ATOM 1192 CG2 ILE A 155 9.950 3.303 -2.035 1.00 0.00 C ATOM 1193 CD1 ILE A 155 7.499 3.405 -4.039 1.00 0.00 C ATOM 0 H ILE A 155 6.805 5.673 -1.302 1.00 0.00 H new ATOM 0 HA ILE A 155 8.438 3.828 0.126 1.00 0.00 H new ATOM 0 HB ILE A 155 8.953 5.103 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 155 7.424 2.538 -2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 155 6.614 4.086 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.112 2.982 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 155 10.833 3.832 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 155 9.771 2.430 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 155 6.588 2.901 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 155 7.543 4.397 -4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 155 8.366 2.825 -4.356 1.00 0.00 H new ATOM 1205 N GLU A 156 10.624 4.988 0.591 1.00 0.00 N ATOM 1206 CA GLU A 156 11.788 5.727 1.069 1.00 0.00 C ATOM 1207 C GLU A 156 12.678 6.151 -0.094 1.00 0.00 C ATOM 1208 O GLU A 156 12.543 5.560 -1.186 1.00 0.00 O ATOM 1209 CB GLU A 156 12.590 4.877 2.056 1.00 0.00 C ATOM 1210 CG GLU A 156 13.648 5.663 2.814 1.00 0.00 C ATOM 1211 CD GLU A 156 14.352 4.830 3.868 1.00 0.00 C ATOM 1212 OE1 GLU A 156 14.468 3.602 3.676 1.00 0.00 O ATOM 1213 OE2 GLU A 156 14.789 5.408 4.886 1.00 0.00 O ATOM 1214 OXT GLU A 156 13.503 7.070 0.097 1.00 0.00 O ATOM 0 H GLU A 156 10.631 3.994 0.821 1.00 0.00 H new ATOM 0 HA GLU A 156 11.433 6.623 1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 156 11.905 4.422 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 156 13.072 4.063 1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.385 6.047 2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 156 13.182 6.526 3.290 1.00 0.00 H new