USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=14 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 -144:sc= -5.45! (180deg=-8.51!) USER MOD Set 1.2: A 125 ASN : amide:sc= -0.383 X(o=-5.8,f=-6.2) USER MOD Single : A 81 HIS : no HD1:sc= -8.17! C(o=-8.2!,f=-7.5!) USER MOD Single : A 85 SER OG : rot 52:sc= -2.56! USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 94:sc= 0.736 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 36:sc= 0.293 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -3.8! C(o=-3.8!,f=-4.7!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.692 K(o=-0.69,f=-0.18) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 116 CYS SG : rot 57:sc= -2.21! USER MOD Single : A 121 MET CE :methyl -159:sc= -0.195 (180deg=-0.996) USER MOD Single : A 122 LYS NZ :NH3+ 158:sc= -0.185 (180deg=-1.93) USER MOD Single : A 124 MET CE :methyl 173:sc= -2.79! (180deg=-3.34!) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ -167:sc= -0.0709 (180deg=-0.387) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= -0.164 USER MOD Single : A 144 GLN : amide:sc= -1.75 K(o=-1.8,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 80 12.352 10.367 -2.383 1.00 0.00 N ATOM 47 CA GLY A 80 11.627 9.145 -2.085 1.00 0.00 C ATOM 48 C GLY A 80 10.529 8.860 -3.090 1.00 0.00 C ATOM 49 O GLY A 80 10.471 9.482 -4.151 1.00 0.00 O ATOM 0 HA2 GLY A 80 12.325 8.308 -2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.192 9.219 -1.088 1.00 0.00 H new ATOM 53 N HIS A 81 9.655 7.916 -2.755 1.00 0.00 N ATOM 54 CA HIS A 81 8.552 7.548 -3.637 1.00 0.00 C ATOM 55 C HIS A 81 7.298 7.228 -2.830 1.00 0.00 C ATOM 56 O HIS A 81 7.285 6.294 -2.028 1.00 0.00 O ATOM 57 CB HIS A 81 8.934 6.343 -4.503 1.00 0.00 C ATOM 58 CG HIS A 81 10.317 5.828 -4.246 1.00 0.00 C ATOM 59 ND1 HIS A 81 11.455 6.570 -4.490 1.00 0.00 N ATOM 60 CD2 HIS A 81 10.745 4.637 -3.761 1.00 0.00 C ATOM 61 CE1 HIS A 81 12.520 5.857 -4.167 1.00 0.00 C ATOM 62 NE2 HIS A 81 12.116 4.682 -3.722 1.00 0.00 N ATOM 0 H HIS A 81 9.689 7.392 -1.880 1.00 0.00 H new ATOM 0 HA HIS A 81 8.343 8.398 -4.286 1.00 0.00 H new ATOM 0 HB2 HIS A 81 8.219 5.540 -4.327 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.849 6.621 -5.554 1.00 0.00 H new ATOM 0 HD2 HIS A 81 10.123 3.807 -3.461 1.00 0.00 H new ATOM 0 HE1 HIS A 81 13.547 6.181 -4.253 1.00 0.00 H new ATOM 0 HE2 HIS A 81 12.725 3.929 -3.401 1.00 0.00 H new ATOM 71 N ILE A 82 6.244 8.008 -3.048 1.00 0.00 N ATOM 72 CA ILE A 82 4.985 7.807 -2.342 1.00 0.00 C ATOM 73 C ILE A 82 3.969 7.087 -3.222 1.00 0.00 C ATOM 74 O ILE A 82 3.758 7.460 -4.377 1.00 0.00 O ATOM 75 CB ILE A 82 4.381 9.146 -1.873 1.00 0.00 C ATOM 76 CG1 ILE A 82 5.290 9.807 -0.836 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.988 8.926 -1.301 1.00 0.00 C ATOM 78 CD1 ILE A 82 6.719 9.974 -1.305 1.00 0.00 C ATOM 0 H ILE A 82 6.237 8.785 -3.708 1.00 0.00 H new ATOM 0 HA ILE A 82 5.208 7.192 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 82 4.300 9.812 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.884 10.785 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.283 9.209 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.574 9.880 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.344 8.495 -2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.047 8.246 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.307 10.449 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.143 8.997 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.738 10.597 -2.199 1.00 0.00 H new ATOM 90 N VAL A 83 3.341 6.055 -2.669 1.00 0.00 N ATOM 91 CA VAL A 83 2.346 5.284 -3.404 1.00 0.00 C ATOM 92 C VAL A 83 0.932 5.723 -3.040 1.00 0.00 C ATOM 93 O VAL A 83 0.484 5.532 -1.911 1.00 0.00 O ATOM 94 CB VAL A 83 2.489 3.775 -3.128 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.496 2.982 -3.963 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.913 3.316 -3.400 1.00 0.00 C ATOM 0 H VAL A 83 3.503 5.733 -1.715 1.00 0.00 H new ATOM 0 HA VAL A 83 2.521 5.471 -4.464 1.00 0.00 H new ATOM 0 HB VAL A 83 2.268 3.594 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.612 1.919 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.481 3.292 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.681 3.166 -5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.995 2.248 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.165 3.510 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.601 3.861 -2.753 1.00 0.00 H new ATOM 106 N ARG A 84 0.235 6.314 -4.005 1.00 0.00 N ATOM 107 CA ARG A 84 -1.129 6.781 -3.786 1.00 0.00 C ATOM 108 C ARG A 84 -2.140 5.829 -4.417 1.00 0.00 C ATOM 109 O ARG A 84 -1.907 5.288 -5.500 1.00 0.00 O ATOM 110 CB ARG A 84 -1.309 8.188 -4.360 1.00 0.00 C ATOM 111 CG ARG A 84 -1.255 8.237 -5.879 1.00 0.00 C ATOM 112 CD ARG A 84 -1.008 9.649 -6.382 1.00 0.00 C ATOM 113 NE ARG A 84 0.200 9.736 -7.198 1.00 0.00 N ATOM 114 CZ ARG A 84 0.531 10.808 -7.912 1.00 0.00 C ATOM 115 NH1 ARG A 84 -0.254 11.877 -7.907 1.00 0.00 N ATOM 116 NH2 ARG A 84 1.645 10.812 -8.630 1.00 0.00 N ATOM 0 H ARG A 84 0.592 6.481 -4.946 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.306 6.809 -2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.266 8.588 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.533 8.838 -3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.464 7.578 -6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.192 7.862 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.866 9.980 -6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.921 10.326 -5.532 1.00 0.00 H new ATOM 0 HE ARG A 84 0.824 8.930 -7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.112 11.877 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.000 12.699 -8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.251 9.991 -8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.896 11.636 -9.177 1.00 0.00 H new ATOM 130 N SER A 85 -3.262 5.626 -3.734 1.00 0.00 N ATOM 131 CA SER A 85 -4.308 4.739 -4.228 1.00 0.00 C ATOM 132 C SER A 85 -4.945 5.301 -5.495 1.00 0.00 C ATOM 133 O SER A 85 -5.638 6.317 -5.455 1.00 0.00 O ATOM 134 CB SER A 85 -5.379 4.532 -3.156 1.00 0.00 C ATOM 135 OG SER A 85 -4.812 4.554 -1.857 1.00 0.00 O ATOM 0 H SER A 85 -3.470 6.064 -2.837 1.00 0.00 H new ATOM 0 HA SER A 85 -3.851 3.779 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.136 5.312 -3.239 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.883 3.579 -3.320 1.00 0.00 H new ATOM 0 HG SER A 85 -4.274 5.366 -1.749 1.00 0.00 H new ATOM 141 N PRO A 86 -4.717 4.640 -6.639 1.00 0.00 N ATOM 142 CA PRO A 86 -5.271 5.072 -7.927 1.00 0.00 C ATOM 143 C PRO A 86 -6.782 4.888 -7.995 1.00 0.00 C ATOM 144 O PRO A 86 -7.427 5.315 -8.952 1.00 0.00 O ATOM 145 CB PRO A 86 -4.573 4.160 -8.939 1.00 0.00 C ATOM 146 CG PRO A 86 -4.199 2.946 -8.162 1.00 0.00 C ATOM 147 CD PRO A 86 -3.902 3.419 -6.766 1.00 0.00 C ATOM 0 HA PRO A 86 -5.105 6.134 -8.108 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.234 3.910 -9.769 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.694 4.643 -9.366 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.010 2.218 -8.162 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.330 2.455 -8.600 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.178 2.672 -6.021 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -2.841 3.628 -6.630 1.00 0.00 H new ATOM 155 N MET A 87 -7.342 4.249 -6.974 1.00 0.00 N ATOM 156 CA MET A 87 -8.779 4.008 -6.918 1.00 0.00 C ATOM 157 C MET A 87 -9.244 3.814 -5.477 1.00 0.00 C ATOM 158 O MET A 87 -8.468 3.404 -4.614 1.00 0.00 O ATOM 159 CB MET A 87 -9.145 2.781 -7.753 1.00 0.00 C ATOM 160 CG MET A 87 -10.596 2.765 -8.208 1.00 0.00 C ATOM 161 SD MET A 87 -10.788 3.245 -9.935 1.00 0.00 S ATOM 162 CE MET A 87 -11.854 1.937 -10.533 1.00 0.00 C ATOM 0 H MET A 87 -6.823 3.888 -6.174 1.00 0.00 H new ATOM 0 HA MET A 87 -9.284 4.882 -7.329 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.498 2.742 -8.629 1.00 0.00 H new ATOM 0 HB3 MET A 87 -8.946 1.882 -7.169 1.00 0.00 H new ATOM 0 HG2 MET A 87 -11.006 1.765 -8.065 1.00 0.00 H new ATOM 0 HG3 MET A 87 -11.177 3.441 -7.580 1.00 0.00 H new ATOM 0 HE1 MET A 87 -12.064 2.094 -11.591 1.00 0.00 H new ATOM 0 HE2 MET A 87 -11.359 0.975 -10.400 1.00 0.00 H new ATOM 0 HE3 MET A 87 -12.789 1.944 -9.972 1.00 0.00 H new ATOM 172 N VAL A 88 -10.515 4.111 -5.228 1.00 0.00 N ATOM 173 CA VAL A 88 -11.085 3.970 -3.893 1.00 0.00 C ATOM 174 C VAL A 88 -11.020 2.523 -3.418 1.00 0.00 C ATOM 175 O VAL A 88 -10.901 1.599 -4.222 1.00 0.00 O ATOM 176 CB VAL A 88 -12.549 4.444 -3.857 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.204 4.059 -2.539 1.00 0.00 C ATOM 178 CG2 VAL A 88 -12.628 5.947 -4.080 1.00 0.00 C ATOM 0 H VAL A 88 -11.170 4.451 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.491 4.595 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.091 3.950 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.238 4.403 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.181 2.975 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.663 4.523 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.670 6.265 -4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.070 6.461 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.200 6.194 -5.052 1.00 0.00 H new ATOM 188 N GLY A 89 -11.099 2.333 -2.104 1.00 0.00 N ATOM 189 CA GLY A 89 -11.049 0.995 -1.546 1.00 0.00 C ATOM 190 C GLY A 89 -10.718 0.994 -0.067 1.00 0.00 C ATOM 191 O GLY A 89 -10.522 2.050 0.534 1.00 0.00 O ATOM 0 H GLY A 89 -11.197 3.081 -1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.010 0.505 -1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.303 0.409 -2.082 1.00 0.00 H new ATOM 195 N THR A 90 -10.653 -0.197 0.522 1.00 0.00 N ATOM 196 CA THR A 90 -10.343 -0.334 1.940 1.00 0.00 C ATOM 197 C THR A 90 -8.896 -0.773 2.143 1.00 0.00 C ATOM 198 O THR A 90 -8.571 -1.953 2.012 1.00 0.00 O ATOM 199 CB THR A 90 -11.291 -1.341 2.594 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.567 -1.301 1.982 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.484 -1.106 4.076 1.00 0.00 C ATOM 0 H THR A 90 -10.811 -1.081 0.038 1.00 0.00 H new ATOM 0 HA THR A 90 -10.476 0.640 2.411 1.00 0.00 H new ATOM 0 HB THR A 90 -10.818 -2.313 2.456 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.611 -1.975 1.272 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.167 -1.855 4.477 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.523 -1.182 4.585 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.901 -0.112 4.235 1.00 0.00 H new ATOM 209 N PHE A 91 -8.032 0.186 2.462 1.00 0.00 N ATOM 210 CA PHE A 91 -6.619 -0.100 2.683 1.00 0.00 C ATOM 211 C PHE A 91 -6.432 -1.054 3.858 1.00 0.00 C ATOM 212 O PHE A 91 -7.325 -1.212 4.691 1.00 0.00 O ATOM 213 CB PHE A 91 -5.849 1.196 2.936 1.00 0.00 C ATOM 214 CG PHE A 91 -4.358 1.014 2.967 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.694 0.431 1.892 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.618 1.425 4.069 1.00 0.00 C ATOM 217 CE1 PHE A 91 -2.320 0.261 1.917 1.00 0.00 C ATOM 218 CE2 PHE A 91 -2.242 1.257 4.100 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.592 0.675 3.023 1.00 0.00 C ATOM 0 H PHE A 91 -8.286 1.168 2.573 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.227 -0.579 1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.102 1.917 2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.174 1.623 3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.257 0.108 1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.120 1.880 4.910 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.816 -0.193 1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.677 1.579 4.962 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.520 0.544 3.045 1.00 0.00 H new ATOM 229 N TYR A 92 -5.264 -1.687 3.921 1.00 0.00 N ATOM 230 CA TYR A 92 -4.959 -2.624 4.995 1.00 0.00 C ATOM 231 C TYR A 92 -3.456 -2.854 5.110 1.00 0.00 C ATOM 232 O TYR A 92 -2.685 -2.421 4.253 1.00 0.00 O ATOM 233 CB TYR A 92 -5.673 -3.952 4.757 1.00 0.00 C ATOM 234 CG TYR A 92 -7.131 -3.937 5.159 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.503 -3.830 6.498 1.00 0.00 C ATOM 236 CD2 TYR A 92 -8.138 -4.028 4.200 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.837 -3.815 6.870 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.475 -4.013 4.563 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.820 -3.907 5.899 1.00 0.00 C ATOM 240 OH TYR A 92 -11.146 -3.892 6.265 1.00 0.00 O ATOM 0 H TYR A 92 -4.514 -1.567 3.240 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.312 -2.191 5.931 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.599 -4.210 3.701 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.159 -4.736 5.314 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.739 -3.758 7.258 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.872 -4.112 3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.109 -3.732 7.912 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.244 -4.084 3.808 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.707 -3.964 5.465 1.00 0.00 H new ATOM 250 N ARG A 93 -3.045 -3.536 6.173 1.00 0.00 N ATOM 251 CA ARG A 93 -1.633 -3.822 6.399 1.00 0.00 C ATOM 252 C ARG A 93 -1.408 -5.306 6.674 1.00 0.00 C ATOM 253 O ARG A 93 -0.275 -5.744 6.871 1.00 0.00 O ATOM 254 CB ARG A 93 -1.105 -2.990 7.569 1.00 0.00 C ATOM 255 CG ARG A 93 -0.525 -1.649 7.149 1.00 0.00 C ATOM 256 CD ARG A 93 -0.245 -0.760 8.350 1.00 0.00 C ATOM 257 NE ARG A 93 0.582 -1.433 9.350 1.00 0.00 N ATOM 258 CZ ARG A 93 0.088 -2.139 10.364 1.00 0.00 C ATOM 259 NH1 ARG A 93 -1.223 -2.271 10.514 1.00 0.00 N ATOM 260 NH2 ARG A 93 0.910 -2.718 11.230 1.00 0.00 N ATOM 0 H ARG A 93 -3.670 -3.901 6.892 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.088 -3.556 5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.915 -2.820 8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.338 -3.560 8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.398 -1.810 6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.220 -1.146 6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.256 0.150 8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.188 -0.457 8.804 1.00 0.00 H new ATOM 0 HE ARG A 93 1.596 -1.357 9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.859 -1.830 9.850 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.595 -2.814 11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.919 -2.622 11.118 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.533 -3.259 12.008 1.00 0.00 H new ATOM 274 N THR A 94 -2.492 -6.076 6.689 1.00 0.00 N ATOM 275 CA THR A 94 -2.404 -7.508 6.943 1.00 0.00 C ATOM 276 C THR A 94 -3.416 -8.278 6.101 1.00 0.00 C ATOM 277 O THR A 94 -4.625 -8.175 6.318 1.00 0.00 O ATOM 278 CB THR A 94 -2.633 -7.798 8.426 1.00 0.00 C ATOM 279 OG1 THR A 94 -3.821 -7.176 8.882 1.00 0.00 O ATOM 280 CG2 THR A 94 -1.498 -7.325 9.309 1.00 0.00 C ATOM 0 H THR A 94 -3.439 -5.732 6.529 1.00 0.00 H new ATOM 0 HA THR A 94 -1.403 -7.838 6.664 1.00 0.00 H new ATOM 0 HB THR A 94 -2.703 -8.883 8.501 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.498 -7.204 8.174 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.723 -7.561 10.349 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.575 -7.825 9.015 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.377 -6.247 9.200 1.00 0.00 H new ATOM 288 N PRO A 95 -2.933 -9.062 5.127 1.00 0.00 N ATOM 289 CA PRO A 95 -3.794 -9.858 4.247 1.00 0.00 C ATOM 290 C PRO A 95 -4.738 -10.765 5.026 1.00 0.00 C ATOM 291 O PRO A 95 -5.158 -10.436 6.135 1.00 0.00 O ATOM 292 CB PRO A 95 -2.802 -10.696 3.434 1.00 0.00 C ATOM 293 CG PRO A 95 -1.529 -9.924 3.474 1.00 0.00 C ATOM 294 CD PRO A 95 -1.505 -9.236 4.810 1.00 0.00 C ATOM 0 HA PRO A 95 -4.441 -9.228 3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.676 -11.689 3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.148 -10.835 2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.669 -10.583 3.359 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.486 -9.199 2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.996 -9.838 5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.984 -8.280 4.761 1.00 0.00 H new ATOM 349 N LYS A 100 0.920 -12.212 7.317 1.00 0.00 N ATOM 350 CA LYS A 100 2.124 -11.775 8.014 1.00 0.00 C ATOM 351 C LYS A 100 2.374 -10.287 7.786 1.00 0.00 C ATOM 352 O LYS A 100 3.520 -9.847 7.694 1.00 0.00 O ATOM 353 CB LYS A 100 3.334 -12.583 7.544 1.00 0.00 C ATOM 354 CG LYS A 100 3.973 -13.416 8.644 1.00 0.00 C ATOM 355 CD LYS A 100 5.361 -12.905 8.992 1.00 0.00 C ATOM 356 CE LYS A 100 6.418 -13.976 8.780 1.00 0.00 C ATOM 357 NZ LYS A 100 7.651 -13.425 8.153 1.00 0.00 N ATOM 0 HA LYS A 100 1.976 -11.943 9.081 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.027 -13.242 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.080 -11.901 7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.342 -13.393 9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.036 -14.456 8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.594 -12.035 8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.379 -12.575 10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.670 -14.431 9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.012 -14.766 8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.346 -14.188 8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.416 -13.013 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.053 -12.689 8.767 1.00 0.00 H new ATOM 371 N ALA A 101 1.294 -9.518 7.697 1.00 0.00 N ATOM 372 CA ALA A 101 1.396 -8.081 7.482 1.00 0.00 C ATOM 373 C ALA A 101 2.152 -7.769 6.195 1.00 0.00 C ATOM 374 O ALA A 101 3.357 -8.007 6.096 1.00 0.00 O ATOM 375 CB ALA A 101 2.076 -7.419 8.671 1.00 0.00 C ATOM 0 H ALA A 101 0.338 -9.867 7.771 1.00 0.00 H new ATOM 0 HA ALA A 101 0.387 -7.680 7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.146 -6.345 8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.493 -7.604 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.077 -7.833 8.795 1.00 0.00 H new ATOM 381 N PHE A 102 1.437 -7.234 5.210 1.00 0.00 N ATOM 382 CA PHE A 102 2.036 -6.887 3.927 1.00 0.00 C ATOM 383 C PHE A 102 3.173 -5.886 4.114 1.00 0.00 C ATOM 384 O PHE A 102 3.715 -5.748 5.210 1.00 0.00 O ATOM 385 CB PHE A 102 0.976 -6.308 2.988 1.00 0.00 C ATOM 386 CG PHE A 102 0.749 -7.134 1.754 1.00 0.00 C ATOM 387 CD1 PHE A 102 1.824 -7.648 1.038 1.00 0.00 C ATOM 388 CD2 PHE A 102 -0.541 -7.399 1.307 1.00 0.00 C ATOM 389 CE1 PHE A 102 1.617 -8.410 -0.101 1.00 0.00 C ATOM 390 CE2 PHE A 102 -0.755 -8.160 0.170 1.00 0.00 C ATOM 391 CZ PHE A 102 0.326 -8.666 -0.535 1.00 0.00 C ATOM 0 H PHE A 102 0.440 -7.031 5.277 1.00 0.00 H new ATOM 0 HA PHE A 102 2.445 -7.795 3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.035 -6.214 3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.275 -5.303 2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.832 -7.451 1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.386 -7.007 1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.460 -8.804 -0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.762 -8.359 -0.167 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.162 -9.260 -1.422 1.00 0.00 H new ATOM 401 N ILE A 103 3.531 -5.189 3.039 1.00 0.00 N ATOM 402 CA ILE A 103 4.603 -4.203 3.095 1.00 0.00 C ATOM 403 C ILE A 103 4.213 -3.017 3.971 1.00 0.00 C ATOM 404 O ILE A 103 3.415 -2.171 3.569 1.00 0.00 O ATOM 405 CB ILE A 103 4.969 -3.690 1.689 1.00 0.00 C ATOM 406 CG1 ILE A 103 5.603 -4.809 0.863 1.00 0.00 C ATOM 407 CG2 ILE A 103 5.907 -2.497 1.788 1.00 0.00 C ATOM 408 CD1 ILE A 103 4.593 -5.750 0.245 1.00 0.00 C ATOM 0 H ILE A 103 3.095 -5.289 2.122 1.00 0.00 H new ATOM 0 HA ILE A 103 5.470 -4.702 3.528 1.00 0.00 H new ATOM 0 HB ILE A 103 4.057 -3.368 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.208 -4.367 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.279 -5.381 1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.156 -2.146 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 103 5.419 -1.695 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 103 6.819 -2.793 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.114 -6.518 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.004 -6.220 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.932 -5.191 -0.417 1.00 0.00 H new ATOM 420 N GLU A 104 4.782 -2.964 5.172 1.00 0.00 N ATOM 421 CA GLU A 104 4.494 -1.883 6.106 1.00 0.00 C ATOM 422 C GLU A 104 5.746 -1.062 6.391 1.00 0.00 C ATOM 423 O GLU A 104 6.775 -1.230 5.735 1.00 0.00 O ATOM 424 CB GLU A 104 3.928 -2.441 7.413 1.00 0.00 C ATOM 425 CG GLU A 104 3.622 -3.929 7.363 1.00 0.00 C ATOM 426 CD GLU A 104 3.129 -4.469 8.691 1.00 0.00 C ATOM 427 OE1 GLU A 104 1.958 -4.207 9.041 1.00 0.00 O ATOM 428 OE2 GLU A 104 3.913 -5.154 9.382 1.00 0.00 O ATOM 0 H GLU A 104 5.445 -3.657 5.520 1.00 0.00 H new ATOM 0 HA GLU A 104 3.750 -1.232 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.640 -2.253 8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.015 -1.900 7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.869 -4.116 6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.520 -4.471 7.066 1.00 0.00 H new ATOM 435 N VAL A 105 5.653 -0.171 7.372 1.00 0.00 N ATOM 436 CA VAL A 105 6.778 0.679 7.743 1.00 0.00 C ATOM 437 C VAL A 105 7.990 -0.154 8.147 1.00 0.00 C ATOM 438 O VAL A 105 7.866 -1.135 8.879 1.00 0.00 O ATOM 439 CB VAL A 105 6.410 1.623 8.902 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.346 2.822 8.933 1.00 0.00 C ATOM 441 CG2 VAL A 105 4.960 2.071 8.787 1.00 0.00 C ATOM 0 H VAL A 105 4.809 -0.019 7.925 1.00 0.00 H new ATOM 0 HA VAL A 105 7.027 1.273 6.864 1.00 0.00 H new ATOM 0 HB VAL A 105 6.524 1.079 9.839 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.070 3.478 9.759 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.372 2.479 9.069 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.268 3.369 7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.718 2.738 9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.816 2.597 7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.306 1.199 8.820 1.00 0.00 H new ATOM 451 N GLY A 106 9.163 0.248 7.666 1.00 0.00 N ATOM 452 CA GLY A 106 10.381 -0.469 7.989 1.00 0.00 C ATOM 453 C GLY A 106 10.723 -1.531 6.961 1.00 0.00 C ATOM 454 O GLY A 106 11.881 -1.666 6.562 1.00 0.00 O ATOM 0 H GLY A 106 9.290 1.057 7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.206 0.239 8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.274 -0.937 8.968 1.00 0.00 H new ATOM 458 N GLN A 107 9.717 -2.287 6.535 1.00 0.00 N ATOM 459 CA GLN A 107 9.920 -3.342 5.549 1.00 0.00 C ATOM 460 C GLN A 107 10.462 -2.771 4.242 1.00 0.00 C ATOM 461 O GLN A 107 10.463 -1.556 4.038 1.00 0.00 O ATOM 462 CB GLN A 107 8.607 -4.084 5.290 1.00 0.00 C ATOM 463 CG GLN A 107 8.704 -5.126 4.188 1.00 0.00 C ATOM 464 CD GLN A 107 7.455 -5.981 4.085 1.00 0.00 C ATOM 465 OE1 GLN A 107 6.598 -5.957 4.966 1.00 0.00 O ATOM 466 NE2 GLN A 107 7.351 -6.746 3.003 1.00 0.00 N ATOM 0 H GLN A 107 8.754 -2.189 6.857 1.00 0.00 H new ATOM 0 HA GLN A 107 10.654 -4.042 5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.286 -4.570 6.211 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.836 -3.360 5.027 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.878 -4.627 3.235 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.565 -5.768 4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.087 -6.734 2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.535 -7.345 2.879 1.00 0.00 H new ATOM 475 N LYS A 108 10.924 -3.652 3.358 1.00 0.00 N ATOM 476 CA LYS A 108 11.468 -3.230 2.073 1.00 0.00 C ATOM 477 C LYS A 108 10.960 -4.124 0.946 1.00 0.00 C ATOM 478 O LYS A 108 10.748 -5.321 1.136 1.00 0.00 O ATOM 479 CB LYS A 108 12.997 -3.258 2.111 1.00 0.00 C ATOM 480 CG LYS A 108 13.641 -3.167 0.737 1.00 0.00 C ATOM 481 CD LYS A 108 14.696 -2.073 0.687 1.00 0.00 C ATOM 482 CE LYS A 108 16.089 -2.630 0.930 1.00 0.00 C ATOM 483 NZ LYS A 108 17.133 -1.570 0.849 1.00 0.00 N ATOM 0 H LYS A 108 10.932 -4.661 3.509 1.00 0.00 H new ATOM 0 HA LYS A 108 11.133 -2.210 1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.352 -2.431 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.323 -4.178 2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 108 14.096 -4.124 0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.875 -2.969 -0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 108 14.665 -1.580 -0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.471 -1.314 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.125 -3.101 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 108 16.303 -3.407 0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 18.069 -1.990 1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.116 -1.137 -0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.944 -0.841 1.567 1.00 0.00 H new ATOM 497 N VAL A 109 10.768 -3.532 -0.228 1.00 0.00 N ATOM 498 CA VAL A 109 10.287 -4.273 -1.390 1.00 0.00 C ATOM 499 C VAL A 109 11.104 -3.934 -2.632 1.00 0.00 C ATOM 500 O VAL A 109 12.057 -3.158 -2.567 1.00 0.00 O ATOM 501 CB VAL A 109 8.800 -3.984 -1.674 1.00 0.00 C ATOM 502 CG1 VAL A 109 7.937 -5.168 -1.268 1.00 0.00 C ATOM 503 CG2 VAL A 109 8.350 -2.717 -0.959 1.00 0.00 C ATOM 0 H VAL A 109 10.938 -2.541 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 109 10.402 -5.331 -1.156 1.00 0.00 H new ATOM 0 HB VAL A 109 8.682 -3.828 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 109 6.891 -4.944 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.239 -6.049 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.061 -5.361 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.297 -2.532 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 109 8.485 -2.838 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 109 8.945 -1.872 -1.307 1.00 0.00 H new ATOM 513 N ASN A 110 10.724 -4.521 -3.762 1.00 0.00 N ATOM 514 CA ASN A 110 11.423 -4.280 -5.019 1.00 0.00 C ATOM 515 C ASN A 110 10.447 -3.868 -6.116 1.00 0.00 C ATOM 516 O ASN A 110 9.231 -3.951 -5.941 1.00 0.00 O ATOM 517 CB ASN A 110 12.190 -5.530 -5.447 1.00 0.00 C ATOM 518 CG ASN A 110 13.681 -5.281 -5.567 1.00 0.00 C ATOM 519 OD1 ASN A 110 14.336 -5.790 -6.476 1.00 0.00 O ATOM 520 ND2 ASN A 110 14.225 -4.494 -4.646 1.00 0.00 N ATOM 0 H ASN A 110 9.937 -5.166 -3.833 1.00 0.00 H new ATOM 0 HA ASN A 110 12.129 -3.464 -4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 110 12.015 -6.326 -4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 110 11.805 -5.879 -6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 110 15.224 -4.290 -4.675 1.00 0.00 H new ATOM 0 HD22 ASN A 110 13.644 -4.093 -3.910 1.00 0.00 H new ATOM 527 N VAL A 111 10.988 -3.426 -7.246 1.00 0.00 N ATOM 528 CA VAL A 111 10.165 -3.002 -8.372 1.00 0.00 C ATOM 529 C VAL A 111 9.518 -4.201 -9.058 1.00 0.00 C ATOM 530 O VAL A 111 10.118 -4.826 -9.933 1.00 0.00 O ATOM 531 CB VAL A 111 10.990 -2.215 -9.407 1.00 0.00 C ATOM 532 CG1 VAL A 111 10.099 -1.722 -10.538 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.709 -1.052 -8.741 1.00 0.00 C ATOM 0 H VAL A 111 11.993 -3.352 -7.406 1.00 0.00 H new ATOM 0 HA VAL A 111 9.388 -2.352 -7.970 1.00 0.00 H new ATOM 0 HB VAL A 111 11.740 -2.883 -9.831 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.700 -1.168 -11.259 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.633 -2.575 -11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.325 -1.070 -10.134 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.287 -0.507 -9.487 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.977 -0.383 -8.289 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.379 -1.432 -7.969 1.00 0.00 H new ATOM 543 N GLY A 112 8.292 -4.516 -8.654 1.00 0.00 N ATOM 544 CA GLY A 112 7.584 -5.640 -9.238 1.00 0.00 C ATOM 545 C GLY A 112 6.913 -6.507 -8.192 1.00 0.00 C ATOM 546 O GLY A 112 5.946 -7.210 -8.485 1.00 0.00 O ATOM 0 H GLY A 112 7.776 -4.013 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 112 6.833 -5.270 -9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 112 8.283 -6.246 -9.814 1.00 0.00 H new ATOM 550 N ASP A 113 7.427 -6.455 -6.967 1.00 0.00 N ATOM 551 CA ASP A 113 6.871 -7.241 -5.871 1.00 0.00 C ATOM 552 C ASP A 113 5.519 -6.688 -5.435 1.00 0.00 C ATOM 553 O ASP A 113 5.125 -5.595 -5.840 1.00 0.00 O ATOM 554 CB ASP A 113 7.837 -7.252 -4.685 1.00 0.00 C ATOM 555 CG ASP A 113 8.425 -8.626 -4.431 1.00 0.00 C ATOM 556 OD1 ASP A 113 8.907 -9.254 -5.396 1.00 0.00 O ATOM 557 OD2 ASP A 113 8.401 -9.075 -3.266 1.00 0.00 O ATOM 0 H ASP A 113 8.227 -5.877 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 113 6.727 -8.262 -6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.644 -6.543 -4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.314 -6.913 -3.791 1.00 0.00 H new ATOM 562 N THR A 114 4.811 -7.450 -4.607 1.00 0.00 N ATOM 563 CA THR A 114 3.502 -7.035 -4.119 1.00 0.00 C ATOM 564 C THR A 114 3.605 -5.739 -3.320 1.00 0.00 C ATOM 565 O THR A 114 4.686 -5.170 -3.179 1.00 0.00 O ATOM 566 CB THR A 114 2.885 -8.135 -3.254 1.00 0.00 C ATOM 567 OG1 THR A 114 3.282 -9.414 -3.713 1.00 0.00 O ATOM 568 CG2 THR A 114 1.371 -8.103 -3.238 1.00 0.00 C ATOM 0 H THR A 114 5.122 -8.357 -4.261 1.00 0.00 H new ATOM 0 HA THR A 114 2.859 -6.858 -4.981 1.00 0.00 H new ATOM 0 HB THR A 114 3.248 -7.948 -2.243 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.879 -10.105 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.997 -8.909 -2.607 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.031 -7.145 -2.844 1.00 0.00 H new ATOM 0 HG23 THR A 114 0.994 -8.232 -4.252 1.00 0.00 H new ATOM 576 N LEU A 115 2.471 -5.278 -2.802 1.00 0.00 N ATOM 577 CA LEU A 115 2.435 -4.047 -2.019 1.00 0.00 C ATOM 578 C LEU A 115 1.421 -4.149 -0.884 1.00 0.00 C ATOM 579 O LEU A 115 1.792 -4.198 0.290 1.00 0.00 O ATOM 580 CB LEU A 115 2.091 -2.856 -2.918 1.00 0.00 C ATOM 581 CG LEU A 115 2.008 -1.508 -2.201 1.00 0.00 C ATOM 582 CD1 LEU A 115 3.337 -0.774 -2.291 1.00 0.00 C ATOM 583 CD2 LEU A 115 0.888 -0.662 -2.789 1.00 0.00 C ATOM 0 H LEU A 115 1.566 -5.737 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 115 3.423 -3.895 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.841 -2.786 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.135 -3.051 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 115 1.787 -1.689 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.260 0.183 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.117 -1.375 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.588 -0.603 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.842 0.294 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.080 -0.489 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.062 -1.184 -2.673 1.00 0.00 H new ATOM 595 N CYS A 116 0.140 -4.178 -1.241 1.00 0.00 N ATOM 596 CA CYS A 116 -0.927 -4.272 -0.249 1.00 0.00 C ATOM 597 C CYS A 116 -2.289 -4.430 -0.919 1.00 0.00 C ATOM 598 O CYS A 116 -2.477 -4.024 -2.065 1.00 0.00 O ATOM 599 CB CYS A 116 -0.929 -3.028 0.642 1.00 0.00 C ATOM 600 SG CYS A 116 -0.010 -3.223 2.186 1.00 0.00 S ATOM 0 H CYS A 116 -0.184 -4.138 -2.207 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.741 -5.155 0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.506 -2.193 0.083 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -1.960 -2.764 0.877 1.00 0.00 H new ATOM 0 HG CYS A 116 1.218 -3.557 1.921 1.00 0.00 H new ATOM 606 N ILE A 117 -3.235 -5.021 -0.194 1.00 0.00 N ATOM 607 CA ILE A 117 -4.582 -5.233 -0.715 1.00 0.00 C ATOM 608 C ILE A 117 -5.450 -3.995 -0.515 1.00 0.00 C ATOM 609 O ILE A 117 -5.239 -3.218 0.417 1.00 0.00 O ATOM 610 CB ILE A 117 -5.265 -6.445 -0.040 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.663 -7.753 -0.556 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.767 -6.423 -0.287 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.394 -8.765 0.537 1.00 0.00 C ATOM 0 H ILE A 117 -3.093 -5.362 0.757 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.480 -5.433 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.091 -6.380 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.341 -8.192 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.730 -7.535 -1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.228 -7.284 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.190 -5.507 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.960 -6.462 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -3.968 -9.668 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -3.692 -8.345 1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.328 -9.012 1.042 1.00 0.00 H new ATOM 625 N VAL A 118 -6.432 -3.821 -1.394 1.00 0.00 N ATOM 626 CA VAL A 118 -7.341 -2.684 -1.313 1.00 0.00 C ATOM 627 C VAL A 118 -8.714 -3.121 -0.814 1.00 0.00 C ATOM 628 O VAL A 118 -9.407 -2.369 -0.128 1.00 0.00 O ATOM 629 CB VAL A 118 -7.506 -1.991 -2.679 1.00 0.00 C ATOM 630 CG1 VAL A 118 -8.083 -0.595 -2.502 1.00 0.00 C ATOM 631 CG2 VAL A 118 -6.177 -1.936 -3.419 1.00 0.00 C ATOM 0 H VAL A 118 -6.618 -4.454 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.901 -1.978 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 118 -8.203 -2.576 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.193 -0.120 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -9.058 -0.663 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.412 0.000 -1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.316 -1.443 -4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.453 -1.377 -2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.808 -2.949 -3.581 1.00 0.00 H new ATOM 641 N GLU A 119 -9.101 -4.343 -1.166 1.00 0.00 N ATOM 642 CA GLU A 119 -10.391 -4.889 -0.759 1.00 0.00 C ATOM 643 C GLU A 119 -11.494 -3.844 -0.894 1.00 0.00 C ATOM 644 O GLU A 119 -12.071 -3.405 0.100 1.00 0.00 O ATOM 645 CB GLU A 119 -10.324 -5.398 0.684 1.00 0.00 C ATOM 646 CG GLU A 119 -11.342 -6.485 0.999 1.00 0.00 C ATOM 647 CD GLU A 119 -12.769 -6.039 0.747 1.00 0.00 C ATOM 648 OE1 GLU A 119 -13.113 -5.785 -0.426 1.00 0.00 O ATOM 649 OE2 GLU A 119 -13.542 -5.943 1.723 1.00 0.00 O ATOM 0 H GLU A 119 -8.538 -4.976 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.626 -5.724 -1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.323 -5.783 0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.480 -4.560 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -11.128 -7.365 0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.238 -6.784 2.042 1.00 0.00 H new ATOM 656 N ALA A 120 -11.784 -3.455 -2.131 1.00 0.00 N ATOM 657 CA ALA A 120 -12.822 -2.466 -2.399 1.00 0.00 C ATOM 658 C ALA A 120 -14.118 -3.138 -2.844 1.00 0.00 C ATOM 659 O ALA A 120 -15.097 -2.466 -3.170 1.00 0.00 O ATOM 660 CB ALA A 120 -12.350 -1.478 -3.454 1.00 0.00 C ATOM 0 H ALA A 120 -11.315 -3.810 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 120 -13.022 -1.925 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -13.135 -0.746 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -11.455 -0.967 -3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -12.121 -2.012 -4.376 1.00 0.00 H new ATOM 666 N MET A 121 -14.117 -4.468 -2.856 1.00 0.00 N ATOM 667 CA MET A 121 -15.291 -5.232 -3.261 1.00 0.00 C ATOM 668 C MET A 121 -15.034 -6.728 -3.125 1.00 0.00 C ATOM 669 O MET A 121 -15.495 -7.525 -3.943 1.00 0.00 O ATOM 670 CB MET A 121 -15.668 -4.898 -4.705 1.00 0.00 C ATOM 671 CG MET A 121 -14.703 -5.468 -5.733 1.00 0.00 C ATOM 672 SD MET A 121 -15.204 -5.110 -7.428 1.00 0.00 S ATOM 673 CE MET A 121 -16.833 -5.853 -7.462 1.00 0.00 C ATOM 0 H MET A 121 -13.315 -5.039 -2.589 1.00 0.00 H new ATOM 0 HA MET A 121 -16.118 -4.960 -2.605 1.00 0.00 H new ATOM 0 HB2 MET A 121 -16.669 -5.279 -4.908 1.00 0.00 H new ATOM 0 HB3 MET A 121 -15.710 -3.815 -4.820 1.00 0.00 H new ATOM 0 HG2 MET A 121 -13.708 -5.059 -5.558 1.00 0.00 H new ATOM 0 HG3 MET A 121 -14.632 -6.547 -5.599 1.00 0.00 H new ATOM 0 HE1 MET A 121 -17.120 -6.052 -8.494 1.00 0.00 H new ATOM 0 HE2 MET A 121 -16.818 -6.788 -6.902 1.00 0.00 H new ATOM 0 HE3 MET A 121 -17.553 -5.171 -7.010 1.00 0.00 H new ATOM 683 N LYS A 122 -14.292 -7.104 -2.088 1.00 0.00 N ATOM 684 CA LYS A 122 -13.970 -8.504 -1.846 1.00 0.00 C ATOM 685 C LYS A 122 -13.175 -9.081 -3.012 1.00 0.00 C ATOM 686 O LYS A 122 -13.358 -10.238 -3.392 1.00 0.00 O ATOM 687 CB LYS A 122 -15.250 -9.314 -1.631 1.00 0.00 C ATOM 688 CG LYS A 122 -15.054 -10.555 -0.773 1.00 0.00 C ATOM 689 CD LYS A 122 -14.154 -10.274 0.419 1.00 0.00 C ATOM 690 CE LYS A 122 -14.541 -8.983 1.122 1.00 0.00 C ATOM 691 NZ LYS A 122 -13.514 -8.543 2.063 1.00 0.00 N ATOM 0 H LYS A 122 -13.903 -6.457 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.359 -8.565 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.999 -8.675 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.647 -9.613 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -16.022 -10.912 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -14.620 -11.351 -1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.213 -11.104 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.118 -10.211 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.711 -8.203 0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -15.482 -9.128 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -13.616 -7.523 2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -13.621 -9.059 2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -12.573 -8.734 1.664 1.00 0.00 H new ATOM 702 N MET A 123 -12.292 -8.263 -3.576 1.00 0.00 N ATOM 703 CA MET A 123 -11.466 -8.683 -4.703 1.00 0.00 C ATOM 704 C MET A 123 -9.988 -8.711 -4.319 1.00 0.00 C ATOM 705 O MET A 123 -9.141 -9.133 -5.105 1.00 0.00 O ATOM 706 CB MET A 123 -11.678 -7.743 -5.892 1.00 0.00 C ATOM 707 CG MET A 123 -10.792 -6.507 -5.855 1.00 0.00 C ATOM 708 SD MET A 123 -11.454 -5.146 -6.835 1.00 0.00 S ATOM 709 CE MET A 123 -10.600 -3.753 -6.101 1.00 0.00 C ATOM 0 H MET A 123 -12.130 -7.303 -3.270 1.00 0.00 H new ATOM 0 HA MET A 123 -11.766 -9.692 -4.985 1.00 0.00 H new ATOM 0 HB2 MET A 123 -11.487 -8.290 -6.815 1.00 0.00 H new ATOM 0 HB3 MET A 123 -12.722 -7.431 -5.917 1.00 0.00 H new ATOM 0 HG2 MET A 123 -10.673 -6.181 -4.822 1.00 0.00 H new ATOM 0 HG3 MET A 123 -9.799 -6.765 -6.224 1.00 0.00 H new ATOM 0 HE1 MET A 123 -11.264 -2.889 -6.081 1.00 0.00 H new ATOM 0 HE2 MET A 123 -10.301 -4.005 -5.084 1.00 0.00 H new ATOM 0 HE3 MET A 123 -9.715 -3.517 -6.692 1.00 0.00 H new ATOM 719 N MET A 124 -9.685 -8.253 -3.108 1.00 0.00 N ATOM 720 CA MET A 124 -8.311 -8.221 -2.624 1.00 0.00 C ATOM 721 C MET A 124 -7.375 -7.641 -3.677 1.00 0.00 C ATOM 722 O MET A 124 -6.237 -8.087 -3.825 1.00 0.00 O ATOM 723 CB MET A 124 -7.843 -9.626 -2.231 1.00 0.00 C ATOM 724 CG MET A 124 -8.656 -10.260 -1.112 1.00 0.00 C ATOM 725 SD MET A 124 -9.993 -11.301 -1.728 1.00 0.00 S ATOM 726 CE MET A 124 -11.078 -11.326 -0.305 1.00 0.00 C ATOM 0 H MET A 124 -10.374 -7.899 -2.444 1.00 0.00 H new ATOM 0 HA MET A 124 -8.284 -7.580 -1.743 1.00 0.00 H new ATOM 0 HB2 MET A 124 -7.887 -10.271 -3.109 1.00 0.00 H new ATOM 0 HB3 MET A 124 -6.798 -9.577 -1.924 1.00 0.00 H new ATOM 0 HG2 MET A 124 -7.996 -10.857 -0.483 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.073 -9.475 -0.482 1.00 0.00 H new ATOM 0 HE1 MET A 124 -12.010 -11.826 -0.567 1.00 0.00 H new ATOM 0 HE2 MET A 124 -10.595 -11.863 0.511 1.00 0.00 H new ATOM 0 HE3 MET A 124 -11.290 -10.304 0.009 1.00 0.00 H new ATOM 736 N ASN A 125 -7.858 -6.639 -4.404 1.00 0.00 N ATOM 737 CA ASN A 125 -7.055 -5.996 -5.436 1.00 0.00 C ATOM 738 C ASN A 125 -5.784 -5.414 -4.830 1.00 0.00 C ATOM 739 O ASN A 125 -5.733 -4.234 -4.483 1.00 0.00 O ATOM 740 CB ASN A 125 -7.861 -4.894 -6.128 1.00 0.00 C ATOM 741 CG ASN A 125 -6.990 -3.986 -6.974 1.00 0.00 C ATOM 742 OD1 ASN A 125 -6.089 -4.447 -7.675 1.00 0.00 O ATOM 743 ND2 ASN A 125 -7.256 -2.686 -6.912 1.00 0.00 N ATOM 0 H ASN A 125 -8.798 -6.256 -4.298 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.779 -6.745 -6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -8.627 -5.348 -6.757 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -8.378 -4.299 -5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -6.704 -2.026 -7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -8.013 -2.348 -6.317 1.00 0.00 H new ATOM 750 N GLN A 126 -4.765 -6.254 -4.694 1.00 0.00 N ATOM 751 CA GLN A 126 -3.497 -5.827 -4.116 1.00 0.00 C ATOM 752 C GLN A 126 -2.565 -5.260 -5.180 1.00 0.00 C ATOM 753 O GLN A 126 -2.525 -5.747 -6.311 1.00 0.00 O ATOM 754 CB GLN A 126 -2.822 -6.996 -3.398 1.00 0.00 C ATOM 755 CG GLN A 126 -2.013 -7.893 -4.322 1.00 0.00 C ATOM 756 CD GLN A 126 -2.353 -9.361 -4.155 1.00 0.00 C ATOM 757 OE1 GLN A 126 -2.223 -9.920 -3.066 1.00 0.00 O ATOM 758 NE2 GLN A 126 -2.791 -9.994 -5.238 1.00 0.00 N ATOM 0 H GLN A 126 -4.792 -7.234 -4.976 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.708 -5.037 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.166 -6.604 -2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.585 -7.595 -2.900 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -2.191 -7.598 -5.356 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -0.951 -7.745 -4.127 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -2.883 -9.491 -6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -3.035 -10.983 -5.187 1.00 0.00 H new ATOM 767 N ILE A 127 -1.814 -4.231 -4.805 1.00 0.00 N ATOM 768 CA ILE A 127 -0.876 -3.595 -5.720 1.00 0.00 C ATOM 769 C ILE A 127 0.526 -4.162 -5.544 1.00 0.00 C ATOM 770 O ILE A 127 0.832 -4.779 -4.522 1.00 0.00 O ATOM 771 CB ILE A 127 -0.829 -2.071 -5.507 1.00 0.00 C ATOM 772 CG1 ILE A 127 -2.238 -1.477 -5.567 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.071 -1.420 -6.546 1.00 0.00 C ATOM 774 CD1 ILE A 127 -3.149 -2.175 -6.554 1.00 0.00 C ATOM 0 H ILE A 127 -1.837 -3.819 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 127 -1.228 -3.802 -6.731 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.416 -1.871 -4.518 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.686 -1.526 -4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -2.168 -0.422 -5.834 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.095 -0.343 -6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.080 -1.823 -6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.316 -1.628 -7.544 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -4.130 -1.700 -6.542 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.724 -2.104 -7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -3.250 -3.224 -6.277 1.00 0.00 H new ATOM 786 N GLU A 128 1.375 -3.947 -6.543 1.00 0.00 N ATOM 787 CA GLU A 128 2.748 -4.434 -6.501 1.00 0.00 C ATOM 788 C GLU A 128 3.730 -3.274 -6.378 1.00 0.00 C ATOM 789 O GLU A 128 3.762 -2.383 -7.227 1.00 0.00 O ATOM 790 CB GLU A 128 3.061 -5.253 -7.754 1.00 0.00 C ATOM 791 CG GLU A 128 2.000 -6.287 -8.086 1.00 0.00 C ATOM 792 CD GLU A 128 1.451 -6.130 -9.491 1.00 0.00 C ATOM 793 OE1 GLU A 128 1.541 -5.012 -10.041 1.00 0.00 O ATOM 794 OE2 GLU A 128 0.935 -7.125 -10.041 1.00 0.00 O ATOM 0 H GLU A 128 1.135 -3.437 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 128 2.855 -5.073 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.174 -4.576 -8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.018 -5.757 -7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.424 -7.285 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.183 -6.206 -7.369 1.00 0.00 H new ATOM 801 N ALA A 129 4.530 -3.291 -5.317 1.00 0.00 N ATOM 802 CA ALA A 129 5.512 -2.240 -5.082 1.00 0.00 C ATOM 803 C ALA A 129 6.109 -1.743 -6.395 1.00 0.00 C ATOM 804 O ALA A 129 7.014 -2.364 -6.951 1.00 0.00 O ATOM 805 CB ALA A 129 6.611 -2.743 -4.158 1.00 0.00 C ATOM 0 H ALA A 129 4.517 -4.022 -4.606 1.00 0.00 H new ATOM 0 HA ALA A 129 5.004 -1.402 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.338 -1.948 -3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.176 -3.043 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.108 -3.599 -4.616 1.00 0.00 H new ATOM 811 N ASP A 130 5.598 -0.617 -6.882 1.00 0.00 N ATOM 812 CA ASP A 130 6.081 -0.034 -8.127 1.00 0.00 C ATOM 813 C ASP A 130 7.484 0.538 -7.950 1.00 0.00 C ATOM 814 O ASP A 130 8.258 0.622 -8.905 1.00 0.00 O ATOM 815 CB ASP A 130 5.128 1.061 -8.607 1.00 0.00 C ATOM 816 CG ASP A 130 4.647 1.946 -7.474 1.00 0.00 C ATOM 817 OD1 ASP A 130 5.328 1.996 -6.429 1.00 0.00 O ATOM 818 OD2 ASP A 130 3.587 2.590 -7.632 1.00 0.00 O ATOM 0 H ASP A 130 4.849 -0.090 -6.433 1.00 0.00 H new ATOM 0 HA ASP A 130 6.121 -0.824 -8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 130 5.631 1.674 -9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 130 4.269 0.602 -9.096 1.00 0.00 H new ATOM 823 N LYS A 131 7.806 0.930 -6.722 1.00 0.00 N ATOM 824 CA LYS A 131 9.117 1.493 -6.419 1.00 0.00 C ATOM 825 C LYS A 131 9.789 0.724 -5.285 1.00 0.00 C ATOM 826 O LYS A 131 9.168 0.439 -4.263 1.00 0.00 O ATOM 827 CB LYS A 131 8.986 2.970 -6.040 1.00 0.00 C ATOM 828 CG LYS A 131 9.573 3.917 -7.074 1.00 0.00 C ATOM 829 CD LYS A 131 8.796 3.865 -8.381 1.00 0.00 C ATOM 830 CE LYS A 131 9.469 4.696 -9.462 1.00 0.00 C ATOM 831 NZ LYS A 131 10.157 5.890 -8.897 1.00 0.00 N ATOM 0 H LYS A 131 7.178 0.868 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 131 9.737 1.407 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.932 3.208 -5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.482 3.137 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 131 9.564 4.935 -6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.615 3.656 -7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.712 2.831 -8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.782 4.231 -8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.192 4.080 -9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 131 8.724 5.017 -10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 10.411 6.541 -9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 9.522 6.373 -8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 11.019 5.590 -8.399 1.00 0.00 H new ATOM 845 N SER A 132 11.061 0.391 -5.476 1.00 0.00 N ATOM 846 CA SER A 132 11.817 -0.346 -4.470 1.00 0.00 C ATOM 847 C SER A 132 12.419 0.604 -3.439 1.00 0.00 C ATOM 848 O SER A 132 12.505 1.810 -3.668 1.00 0.00 O ATOM 849 CB SER A 132 12.926 -1.165 -5.134 1.00 0.00 C ATOM 850 OG SER A 132 14.021 -0.344 -5.496 1.00 0.00 O ATOM 0 H SER A 132 11.590 0.620 -6.318 1.00 0.00 H new ATOM 0 HA SER A 132 11.132 -1.022 -3.959 1.00 0.00 H new ATOM 0 HB2 SER A 132 13.263 -1.946 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 132 12.533 -1.663 -6.020 1.00 0.00 H new ATOM 0 HG SER A 132 14.716 -0.892 -5.916 1.00 0.00 H new ATOM 856 N GLY A 133 12.833 0.051 -2.305 1.00 0.00 N ATOM 857 CA GLY A 133 13.421 0.864 -1.256 1.00 0.00 C ATOM 858 C GLY A 133 12.934 0.471 0.124 1.00 0.00 C ATOM 859 O GLY A 133 12.406 -0.625 0.315 1.00 0.00 O ATOM 0 H GLY A 133 12.772 -0.945 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 133 14.506 0.772 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 133 13.183 1.912 -1.437 1.00 0.00 H new ATOM 863 N THR A 134 13.114 1.366 1.090 1.00 0.00 N ATOM 864 CA THR A 134 12.690 1.108 2.460 1.00 0.00 C ATOM 865 C THR A 134 11.479 1.961 2.825 1.00 0.00 C ATOM 866 O THR A 134 11.587 3.178 2.972 1.00 0.00 O ATOM 867 CB THR A 134 13.837 1.387 3.432 1.00 0.00 C ATOM 868 OG1 THR A 134 14.935 0.530 3.172 1.00 0.00 O ATOM 869 CG2 THR A 134 13.448 1.208 4.884 1.00 0.00 C ATOM 0 H THR A 134 13.551 2.277 0.948 1.00 0.00 H new ATOM 0 HA THR A 134 12.407 0.058 2.535 1.00 0.00 H new ATOM 0 HB THR A 134 14.105 2.431 3.271 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.659 0.725 3.803 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.307 1.421 5.520 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.636 1.892 5.130 1.00 0.00 H new ATOM 0 HG23 THR A 134 13.121 0.182 5.049 1.00 0.00 H new ATOM 877 N VAL A 135 10.327 1.314 2.970 1.00 0.00 N ATOM 878 CA VAL A 135 9.097 2.015 3.318 1.00 0.00 C ATOM 879 C VAL A 135 9.297 2.900 4.543 1.00 0.00 C ATOM 880 O VAL A 135 9.737 2.433 5.594 1.00 0.00 O ATOM 881 CB VAL A 135 7.946 1.030 3.595 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.657 1.782 3.889 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.762 0.079 2.422 1.00 0.00 C ATOM 0 H VAL A 135 10.220 0.307 2.852 1.00 0.00 H new ATOM 0 HA VAL A 135 8.835 2.636 2.461 1.00 0.00 H new ATOM 0 HB VAL A 135 8.203 0.439 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.856 1.069 4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.797 2.416 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.393 2.401 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.944 -0.609 2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.529 0.650 1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 135 8.680 -0.487 2.265 1.00 0.00 H new ATOM 893 N LYS A 136 8.971 4.181 4.401 1.00 0.00 N ATOM 894 CA LYS A 136 9.115 5.131 5.497 1.00 0.00 C ATOM 895 C LYS A 136 7.944 5.023 6.468 1.00 0.00 C ATOM 896 O LYS A 136 8.135 4.971 7.684 1.00 0.00 O ATOM 897 CB LYS A 136 9.210 6.557 4.953 1.00 0.00 C ATOM 898 CG LYS A 136 10.277 7.398 5.634 1.00 0.00 C ATOM 899 CD LYS A 136 10.056 7.470 7.136 1.00 0.00 C ATOM 900 CE LYS A 136 11.061 6.612 7.888 1.00 0.00 C ATOM 901 NZ LYS A 136 10.730 6.510 9.337 1.00 0.00 N ATOM 0 H LYS A 136 8.606 4.584 3.538 1.00 0.00 H new ATOM 0 HA LYS A 136 10.033 4.892 6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.419 6.516 3.884 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.243 7.047 5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.260 6.975 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.270 8.404 5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.139 8.505 7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.045 7.139 7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 136 11.086 5.614 7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.059 7.036 7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 11.439 5.917 9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 10.731 7.460 9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 9.789 6.082 9.449 1.00 0.00 H new ATOM 915 N ALA A 137 6.731 4.988 5.925 1.00 0.00 N ATOM 916 CA ALA A 137 5.530 4.886 6.743 1.00 0.00 C ATOM 917 C ALA A 137 4.271 5.038 5.898 1.00 0.00 C ATOM 918 O ALA A 137 4.337 5.433 4.734 1.00 0.00 O ATOM 919 CB ALA A 137 5.555 5.931 7.849 1.00 0.00 C ATOM 0 H ALA A 137 6.555 5.029 4.921 1.00 0.00 H new ATOM 0 HA ALA A 137 5.513 3.894 7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.652 5.844 8.453 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.430 5.772 8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.602 6.927 7.408 1.00 0.00 H new ATOM 925 N ILE A 138 3.126 4.720 6.492 1.00 0.00 N ATOM 926 CA ILE A 138 1.849 4.822 5.798 1.00 0.00 C ATOM 927 C ILE A 138 1.146 6.133 6.131 1.00 0.00 C ATOM 928 O ILE A 138 1.309 6.673 7.225 1.00 0.00 O ATOM 929 CB ILE A 138 0.920 3.647 6.158 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.521 2.327 5.675 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.462 3.860 5.559 1.00 0.00 C ATOM 932 CD1 ILE A 138 0.556 1.163 5.734 1.00 0.00 C ATOM 0 H ILE A 138 3.057 4.389 7.454 1.00 0.00 H new ATOM 0 HA ILE A 138 2.065 4.791 4.730 1.00 0.00 H new ATOM 0 HB ILE A 138 0.819 3.602 7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.867 2.449 4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.396 2.093 6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -1.106 3.021 5.823 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.890 4.783 5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.382 3.929 4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.052 0.261 5.376 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.229 1.013 6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -0.309 1.375 5.105 1.00 0.00 H new ATOM 944 N LEU A 139 0.365 6.642 5.182 1.00 0.00 N ATOM 945 CA LEU A 139 -0.359 7.893 5.380 1.00 0.00 C ATOM 946 C LEU A 139 -1.867 7.668 5.314 1.00 0.00 C ATOM 947 O LEU A 139 -2.646 8.480 5.815 1.00 0.00 O ATOM 948 CB LEU A 139 0.061 8.921 4.328 1.00 0.00 C ATOM 949 CG LEU A 139 0.901 10.084 4.860 1.00 0.00 C ATOM 950 CD1 LEU A 139 2.184 9.567 5.495 1.00 0.00 C ATOM 951 CD2 LEU A 139 1.214 11.068 3.744 1.00 0.00 C ATOM 0 H LEU A 139 0.218 6.208 4.271 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.111 8.274 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 139 0.627 8.411 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.836 9.325 3.858 1.00 0.00 H new ATOM 0 HG LEU A 139 0.326 10.605 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.770 10.407 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.938 8.901 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.765 9.022 4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 139 1.812 11.889 4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.771 10.560 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.284 11.462 3.334 1.00 0.00 H new ATOM 963 N VAL A 140 -2.272 6.566 4.694 1.00 0.00 N ATOM 964 CA VAL A 140 -3.688 6.239 4.564 1.00 0.00 C ATOM 965 C VAL A 140 -4.261 5.740 5.887 1.00 0.00 C ATOM 966 O VAL A 140 -5.378 6.092 6.263 1.00 0.00 O ATOM 967 CB VAL A 140 -3.922 5.173 3.478 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.346 4.642 3.546 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.625 5.743 2.100 1.00 0.00 C ATOM 0 H VAL A 140 -1.641 5.884 4.273 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.199 7.157 4.274 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.241 4.342 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.491 3.890 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.521 4.193 4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.048 5.462 3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -3.796 4.976 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.280 6.593 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.586 6.069 2.057 1.00 0.00 H new ATOM 979 N GLU A 141 -3.489 4.913 6.585 1.00 0.00 N ATOM 980 CA GLU A 141 -3.921 4.363 7.864 1.00 0.00 C ATOM 981 C GLU A 141 -4.793 3.130 7.656 1.00 0.00 C ATOM 982 O GLU A 141 -5.995 3.239 7.415 1.00 0.00 O ATOM 983 CB GLU A 141 -4.688 5.419 8.663 1.00 0.00 C ATOM 984 CG GLU A 141 -4.068 6.806 8.591 1.00 0.00 C ATOM 985 CD GLU A 141 -4.445 7.675 9.774 1.00 0.00 C ATOM 986 OE1 GLU A 141 -4.036 7.347 10.908 1.00 0.00 O ATOM 987 OE2 GLU A 141 -5.150 8.685 9.568 1.00 0.00 O ATOM 0 H GLU A 141 -2.562 4.610 6.286 1.00 0.00 H new ATOM 0 HA GLU A 141 -3.034 4.068 8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -5.712 5.468 8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -4.740 5.107 9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -2.983 6.713 8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -4.386 7.295 7.670 1.00 0.00 H new ATOM 994 N SER A 142 -4.177 1.956 7.749 1.00 0.00 N ATOM 995 CA SER A 142 -4.894 0.699 7.569 1.00 0.00 C ATOM 996 C SER A 142 -6.285 0.777 8.193 1.00 0.00 C ATOM 997 O SER A 142 -6.555 1.645 9.022 1.00 0.00 O ATOM 998 CB SER A 142 -4.107 -0.455 8.189 1.00 0.00 C ATOM 999 OG SER A 142 -4.963 -1.337 8.895 1.00 0.00 O ATOM 0 H SER A 142 -3.182 1.849 7.948 1.00 0.00 H new ATOM 0 HA SER A 142 -5.003 0.519 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.582 -1.002 7.406 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.349 -0.060 8.866 1.00 0.00 H new ATOM 0 HG SER A 142 -4.435 -2.067 9.280 1.00 0.00 H new ATOM 1005 N GLY A 143 -7.167 -0.136 7.791 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.516 -0.143 8.324 1.00 0.00 C ATOM 1007 C GLY A 143 -9.302 1.091 7.929 1.00 0.00 C ATOM 1008 O GLY A 143 -10.415 1.308 8.410 1.00 0.00 O ATOM 0 H GLY A 143 -6.971 -0.868 7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -9.039 -1.032 7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.473 -0.210 9.411 1.00 0.00 H new ATOM 1012 N GLN A 144 -8.724 1.905 7.049 1.00 0.00 N ATOM 1013 CA GLN A 144 -9.378 3.125 6.590 1.00 0.00 C ATOM 1014 C GLN A 144 -9.611 3.083 5.084 1.00 0.00 C ATOM 1015 O GLN A 144 -8.693 2.813 4.309 1.00 0.00 O ATOM 1016 CB GLN A 144 -8.536 4.349 6.952 1.00 0.00 C ATOM 1017 CG GLN A 144 -9.342 5.633 7.049 1.00 0.00 C ATOM 1018 CD GLN A 144 -8.502 6.869 6.792 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -8.509 7.814 7.581 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -7.773 6.868 5.683 1.00 0.00 N ATOM 0 H GLN A 144 -7.804 1.741 6.640 1.00 0.00 H new ATOM 0 HA GLN A 144 -10.345 3.198 7.088 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -8.039 4.169 7.905 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -7.754 4.476 6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -10.161 5.599 6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -9.790 5.702 8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -7.798 6.063 5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -7.188 7.672 5.456 1.00 0.00 H new ATOM 1029 N PRO A 145 -10.852 3.348 4.650 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.214 3.343 3.230 1.00 0.00 C ATOM 1031 C PRO A 145 -10.625 4.530 2.475 1.00 0.00 C ATOM 1032 O PRO A 145 -10.937 5.683 2.772 1.00 0.00 O ATOM 1033 CB PRO A 145 -12.741 3.432 3.254 1.00 0.00 C ATOM 1034 CG PRO A 145 -13.058 4.115 4.540 1.00 0.00 C ATOM 1035 CD PRO A 145 -11.999 3.677 5.515 1.00 0.00 C ATOM 0 HA PRO A 145 -10.831 2.461 2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.119 3.997 2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.196 2.443 3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -13.052 5.198 4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -14.052 3.839 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -11.754 4.468 6.224 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.322 2.815 6.099 1.00 0.00 H new ATOM 1043 N VAL A 146 -9.774 4.239 1.497 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.144 5.283 0.699 1.00 0.00 C ATOM 1045 C VAL A 146 -10.169 5.995 -0.177 1.00 0.00 C ATOM 1046 O VAL A 146 -11.204 5.427 -0.524 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.030 4.709 -0.196 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -6.999 3.969 0.642 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -8.618 3.796 -1.261 1.00 0.00 C ATOM 0 H VAL A 146 -9.505 3.290 1.238 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.707 5.997 1.397 1.00 0.00 H new ATOM 0 HB VAL A 146 -7.529 5.537 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -6.220 3.571 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -6.555 4.656 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -7.483 3.149 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -7.816 3.400 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -9.147 2.972 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -9.313 4.361 -1.881 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.875 7.243 -0.529 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.774 8.032 -1.364 1.00 0.00 C ATOM 1061 C GLU A 147 -10.034 8.625 -2.557 1.00 0.00 C ATOM 1062 O GLU A 147 -9.896 9.844 -2.672 1.00 0.00 O ATOM 1063 CB GLU A 147 -11.418 9.150 -0.541 1.00 0.00 C ATOM 1064 CG GLU A 147 -12.013 8.672 0.772 1.00 0.00 C ATOM 1065 CD GLU A 147 -13.372 9.281 1.052 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -14.033 9.725 0.089 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -13.777 9.315 2.233 1.00 0.00 O ATOM 0 H GLU A 147 -9.023 7.729 -0.250 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.554 7.369 -1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -10.670 9.915 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -12.201 9.622 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -12.103 7.586 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -11.333 8.920 1.587 1.00 0.00 H new ATOM 1074 N PHE A 148 -9.561 7.757 -3.444 1.00 0.00 N ATOM 1075 CA PHE A 148 -8.836 8.194 -4.632 1.00 0.00 C ATOM 1076 C PHE A 148 -7.628 9.045 -4.254 1.00 0.00 C ATOM 1077 O PHE A 148 -7.763 10.075 -3.593 1.00 0.00 O ATOM 1078 CB PHE A 148 -9.759 8.983 -5.556 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.103 9.414 -6.836 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -7.949 8.783 -7.287 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -9.638 10.452 -7.593 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -7.340 9.178 -8.468 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -9.034 10.851 -8.774 1.00 0.00 C ATOM 1084 CZ PHE A 148 -7.885 10.214 -9.213 1.00 0.00 C ATOM 0 H PHE A 148 -9.667 6.746 -3.363 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.481 7.306 -5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.631 8.373 -5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -10.121 9.865 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -7.522 7.976 -6.710 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -10.534 10.952 -7.256 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -6.443 8.681 -8.807 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -9.459 11.658 -9.352 1.00 0.00 H new ATOM 0 HZ PHE A 148 -7.414 10.523 -10.134 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.448 8.608 -4.677 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.216 9.330 -4.384 1.00 0.00 C ATOM 1096 C ASP A 149 -4.910 9.298 -2.890 1.00 0.00 C ATOM 1097 O ASP A 149 -4.828 10.342 -2.241 1.00 0.00 O ATOM 1098 CB ASP A 149 -5.322 10.778 -4.863 1.00 0.00 C ATOM 1099 CG ASP A 149 -3.966 11.404 -5.116 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -3.015 11.081 -4.373 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -3.854 12.218 -6.056 1.00 0.00 O ATOM 0 H ASP A 149 -6.318 7.757 -5.224 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.401 8.838 -4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -5.911 10.812 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -5.857 11.366 -4.117 1.00 0.00 H new ATOM 1106 N GLU A 150 -4.742 8.096 -2.350 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.446 7.929 -0.932 1.00 0.00 C ATOM 1108 C GLU A 150 -3.102 7.235 -0.737 1.00 0.00 C ATOM 1109 O GLU A 150 -2.954 6.050 -1.038 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.554 7.125 -0.250 1.00 0.00 C ATOM 1111 CG GLU A 150 -5.896 7.623 1.144 1.00 0.00 C ATOM 1112 CD GLU A 150 -7.150 8.476 1.167 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -7.128 9.579 0.582 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -8.154 8.039 1.768 1.00 0.00 O ATOM 0 H GLU A 150 -4.806 7.223 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.393 8.918 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.450 7.159 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.249 6.080 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -6.030 6.769 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -5.059 8.203 1.534 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.101 7.970 -0.231 1.00 0.00 N ATOM 1122 CA PRO A 151 -0.761 7.428 0.007 1.00 0.00 C ATOM 1123 C PRO A 151 -0.796 6.122 0.793 1.00 0.00 C ATOM 1124 O PRO A 151 -0.733 6.124 2.023 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.075 8.527 0.821 1.00 0.00 C ATOM 1126 CG PRO A 151 -0.775 9.780 0.428 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.201 9.391 0.150 1.00 0.00 C ATOM 0 HA PRO A 151 -0.247 7.185 -0.923 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.165 8.342 1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.990 8.581 0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -0.722 10.522 1.224 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.313 10.224 -0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -2.833 9.528 1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.632 9.992 -0.650 1.00 0.00 H new ATOM 1135 N LEU A 152 -0.896 5.008 0.075 1.00 0.00 N ATOM 1136 CA LEU A 152 -0.940 3.693 0.705 1.00 0.00 C ATOM 1137 C LEU A 152 0.375 3.380 1.411 1.00 0.00 C ATOM 1138 O LEU A 152 0.383 2.851 2.523 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.243 2.615 -0.338 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.466 2.888 -1.215 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -2.179 2.519 -2.662 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -3.673 2.120 -0.697 1.00 0.00 C ATOM 0 H LEU A 152 -0.948 4.989 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.735 3.702 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.371 2.499 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.388 1.665 0.176 1.00 0.00 H new ATOM 0 HG LEU A 152 -2.691 3.954 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.061 2.720 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -1.341 3.112 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -1.929 1.460 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -4.535 2.325 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.458 1.052 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.892 2.432 0.324 1.00 0.00 H new ATOM 1154 N VAL A 153 1.485 3.708 0.759 1.00 0.00 N ATOM 1155 CA VAL A 153 2.805 3.460 1.327 1.00 0.00 C ATOM 1156 C VAL A 153 3.847 4.402 0.735 1.00 0.00 C ATOM 1157 O VAL A 153 3.953 4.539 -0.484 1.00 0.00 O ATOM 1158 CB VAL A 153 3.254 2.005 1.090 1.00 0.00 C ATOM 1159 CG1 VAL A 153 4.504 1.694 1.898 1.00 0.00 C ATOM 1160 CG2 VAL A 153 2.132 1.037 1.435 1.00 0.00 C ATOM 0 H VAL A 153 1.497 4.146 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 153 2.725 3.640 2.399 1.00 0.00 H new ATOM 0 HB VAL A 153 3.494 1.885 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.806 0.662 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 153 5.308 2.365 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 153 4.295 1.831 2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 153 2.467 0.015 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.858 1.156 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 153 1.265 1.246 0.808 1.00 0.00 H new ATOM 1170 N VAL A 154 4.613 5.050 1.606 1.00 0.00 N ATOM 1171 CA VAL A 154 5.648 5.980 1.169 1.00 0.00 C ATOM 1172 C VAL A 154 7.040 5.406 1.416 1.00 0.00 C ATOM 1173 O VAL A 154 7.418 5.137 2.556 1.00 0.00 O ATOM 1174 CB VAL A 154 5.528 7.335 1.892 1.00 0.00 C ATOM 1175 CG1 VAL A 154 4.085 7.816 1.890 1.00 0.00 C ATOM 1176 CG2 VAL A 154 6.061 7.232 3.313 1.00 0.00 C ATOM 0 H VAL A 154 4.537 4.949 2.618 1.00 0.00 H new ATOM 0 HA VAL A 154 5.505 6.134 0.100 1.00 0.00 H new ATOM 0 HB VAL A 154 6.131 8.067 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 154 4.020 8.774 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.742 7.933 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.457 7.086 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 154 5.968 8.199 3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.488 6.486 3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 154 7.110 6.937 3.288 1.00 0.00 H new ATOM 1186 N ILE A 155 7.796 5.223 0.339 1.00 0.00 N ATOM 1187 CA ILE A 155 9.147 4.680 0.436 1.00 0.00 C ATOM 1188 C ILE A 155 10.180 5.795 0.562 1.00 0.00 C ATOM 1189 O ILE A 155 9.913 6.944 0.212 1.00 0.00 O ATOM 1190 CB ILE A 155 9.492 3.813 -0.789 1.00 0.00 C ATOM 1191 CG1 ILE A 155 8.280 2.979 -1.210 1.00 0.00 C ATOM 1192 CG2 ILE A 155 10.681 2.914 -0.484 1.00 0.00 C ATOM 1193 CD1 ILE A 155 7.780 3.298 -2.601 1.00 0.00 C ATOM 0 H ILE A 155 7.497 5.442 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 155 9.175 4.059 1.332 1.00 0.00 H new ATOM 0 HB ILE A 155 9.761 4.470 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 155 8.542 1.922 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 155 7.472 3.141 -0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.913 2.307 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 155 11.545 3.528 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 155 10.438 2.262 0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 155 6.920 2.669 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 155 7.486 4.347 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 155 8.573 3.109 -3.325 1.00 0.00 H new ATOM 1205 N GLU A 156 11.360 5.447 1.064 1.00 0.00 N ATOM 1206 CA GLU A 156 12.434 6.418 1.236 1.00 0.00 C ATOM 1207 C GLU A 156 13.792 5.725 1.283 1.00 0.00 C ATOM 1208 O GLU A 156 13.881 4.640 1.896 1.00 0.00 O ATOM 1209 CB GLU A 156 12.218 7.227 2.516 1.00 0.00 C ATOM 1210 CG GLU A 156 13.366 8.169 2.841 1.00 0.00 C ATOM 1211 CD GLU A 156 14.527 7.463 3.513 1.00 0.00 C ATOM 1212 OE1 GLU A 156 14.363 7.015 4.666 1.00 0.00 O ATOM 1213 OE2 GLU A 156 15.602 7.361 2.885 1.00 0.00 O ATOM 1214 OXT GLU A 156 14.755 6.271 0.705 1.00 0.00 O ATOM 0 H GLU A 156 11.597 4.500 1.359 1.00 0.00 H new ATOM 0 HA GLU A 156 12.420 7.093 0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 156 11.300 7.806 2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 156 12.075 6.540 3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 156 13.715 8.641 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 156 13.004 8.966 3.491 1.00 0.00 H new