USER MOD reduce.3.24.130724 H: found=0, std=0, add=229, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 233 hydrogens (6 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 NoAdj-H: A 181 HSL H2 : A 181 HSL N : A 180 ARG C :(H bumps) USER MOD NoAdj-H: A 181 HSL H : A 181 HSL N : A 180 ARG C :(H bumps) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 175 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 155 -4.191 10.397 -15.596 1.00 0.00 N ATOM 2 CA PHE A 155 -3.951 9.015 -16.085 1.00 0.00 C ATOM 3 C PHE A 155 -3.244 8.171 -15.029 1.00 0.00 C ATOM 4 O PHE A 155 -2.829 8.681 -13.987 1.00 0.00 O ATOM 5 CB PHE A 155 -3.103 9.088 -17.356 1.00 0.00 C ATOM 6 CG PHE A 155 -3.224 7.873 -18.231 1.00 0.00 C ATOM 7 CD1 PHE A 155 -4.469 7.367 -18.569 1.00 0.00 C ATOM 8 CD2 PHE A 155 -2.092 7.238 -18.717 1.00 0.00 C ATOM 9 CE1 PHE A 155 -4.582 6.250 -19.374 1.00 0.00 C ATOM 10 CE2 PHE A 155 -2.199 6.121 -19.523 1.00 0.00 C ATOM 11 CZ PHE A 155 -3.447 5.626 -19.852 1.00 0.00 C ATOM 0 HA PHE A 155 -4.909 8.540 -16.298 1.00 0.00 H new ATOM 0 HB2 PHE A 155 -3.396 9.968 -17.928 1.00 0.00 H new ATOM 0 HB3 PHE A 155 -2.058 9.222 -17.078 1.00 0.00 H new ATOM 0 HD1 PHE A 155 -5.361 7.851 -18.199 1.00 0.00 H new ATOM 0 HD2 PHE A 155 -1.115 7.621 -18.463 1.00 0.00 H new ATOM 0 HE1 PHE A 155 -5.558 5.865 -19.629 1.00 0.00 H new ATOM 0 HE2 PHE A 155 -1.309 5.635 -19.895 1.00 0.00 H new ATOM 0 HZ PHE A 155 -3.534 4.753 -20.482 1.00 0.00 H new ATOM 23 N LEU A 156 -3.111 6.878 -15.305 1.00 0.00 N ATOM 24 CA LEU A 156 -2.458 5.963 -14.380 1.00 0.00 C ATOM 25 C LEU A 156 -0.949 6.182 -14.372 1.00 0.00 C ATOM 26 O LEU A 156 -0.425 6.992 -15.137 1.00 0.00 O ATOM 27 CB LEU A 156 -2.772 4.515 -14.758 1.00 0.00 C ATOM 28 CG LEU A 156 -2.146 4.036 -16.070 1.00 0.00 C ATOM 29 CD1 LEU A 156 -0.707 3.596 -15.844 1.00 0.00 C ATOM 30 CD2 LEU A 156 -2.964 2.902 -16.668 1.00 0.00 C ATOM 0 H LEU A 156 -3.448 6.441 -16.163 1.00 0.00 H new ATOM 0 HA LEU A 156 -2.841 6.162 -13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 156 -2.433 3.864 -13.953 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -3.854 4.400 -14.826 1.00 0.00 H new ATOM 0 HG LEU A 156 -2.145 4.867 -16.775 1.00 0.00 H new ATOM 0 HD11 LEU A 156 -0.277 3.259 -16.787 1.00 0.00 H new ATOM 0 HD12 LEU A 156 -0.126 4.435 -15.460 1.00 0.00 H new ATOM 0 HD13 LEU A 156 -0.685 2.779 -15.123 1.00 0.00 H new ATOM 0 HD21 LEU A 156 -2.504 2.574 -17.600 1.00 0.00 H new ATOM 0 HD22 LEU A 156 -2.997 2.068 -15.967 1.00 0.00 H new ATOM 0 HD23 LEU A 156 -3.978 3.250 -16.866 1.00 0.00 H new ATOM 42 N GLN A 157 -0.255 5.454 -13.502 1.00 0.00 N ATOM 43 CA GLN A 157 1.194 5.571 -13.398 1.00 0.00 C ATOM 44 C GLN A 157 1.771 4.478 -12.505 1.00 0.00 C ATOM 45 O GLN A 157 2.657 3.731 -12.917 1.00 0.00 O ATOM 46 CB GLN A 157 1.575 6.949 -12.852 1.00 0.00 C ATOM 47 CG GLN A 157 3.075 7.173 -12.756 1.00 0.00 C ATOM 48 CD GLN A 157 3.579 8.189 -13.764 1.00 0.00 C ATOM 49 OE1 GLN A 157 3.753 9.366 -13.443 1.00 0.00 O ATOM 50 NE2 GLN A 157 3.815 7.739 -14.990 1.00 0.00 N ATOM 0 H GLN A 157 -0.672 4.779 -12.861 1.00 0.00 H new ATOM 0 HA GLN A 157 1.615 5.453 -14.397 1.00 0.00 H new ATOM 0 HB2 GLN A 157 1.142 7.717 -13.493 1.00 0.00 H new ATOM 0 HB3 GLN A 157 1.134 7.073 -11.863 1.00 0.00 H new ATOM 0 HG2 GLN A 157 3.325 7.510 -11.750 1.00 0.00 H new ATOM 0 HG3 GLN A 157 3.591 6.225 -12.912 1.00 0.00 H new ATOM 0 HE21 GLN A 157 3.657 6.756 -15.212 1.00 0.00 H new ATOM 0 HE22 GLN A 157 4.154 8.376 -15.711 1.00 0.00 H new ATOM 59 N SER A 158 1.263 4.391 -11.281 1.00 0.00 N ATOM 60 CA SER A 158 1.726 3.390 -10.329 1.00 0.00 C ATOM 61 C SER A 158 1.169 2.012 -10.672 1.00 0.00 C ATOM 62 O SER A 158 0.466 1.398 -9.868 1.00 0.00 O ATOM 63 CB SER A 158 1.314 3.783 -8.910 1.00 0.00 C ATOM 64 OG SER A 158 2.147 3.160 -7.946 1.00 0.00 O ATOM 0 H SER A 158 0.529 5.003 -10.925 1.00 0.00 H new ATOM 0 HA SER A 158 2.814 3.344 -10.386 1.00 0.00 H new ATOM 0 HB2 SER A 158 1.370 4.866 -8.798 1.00 0.00 H new ATOM 0 HB3 SER A 158 0.276 3.498 -8.737 1.00 0.00 H new ATOM 0 HG SER A 158 1.864 3.428 -7.047 1.00 0.00 H new ATOM 70 N ASP A 159 1.486 1.529 -11.872 1.00 0.00 N ATOM 71 CA ASP A 159 1.021 0.220 -12.333 1.00 0.00 C ATOM 72 C ASP A 159 -0.472 0.238 -12.672 1.00 0.00 C ATOM 73 O ASP A 159 -0.876 -0.262 -13.720 1.00 0.00 O ATOM 74 CB ASP A 159 1.311 -0.858 -11.281 1.00 0.00 C ATOM 75 CG ASP A 159 2.408 -1.808 -11.717 1.00 0.00 C ATOM 76 OD1 ASP A 159 2.219 -2.505 -12.737 1.00 0.00 O ATOM 77 OD2 ASP A 159 3.456 -1.857 -11.040 1.00 0.00 O ATOM 0 H ASP A 159 2.066 2.027 -12.547 1.00 0.00 H new ATOM 0 HA ASP A 159 1.569 -0.018 -13.245 1.00 0.00 H new ATOM 0 HB2 ASP A 159 1.598 -0.380 -10.344 1.00 0.00 H new ATOM 0 HB3 ASP A 159 0.401 -1.424 -11.084 1.00 0.00 H new ATOM 82 N VAL A 160 -1.278 0.810 -11.776 1.00 0.00 N ATOM 83 CA VAL A 160 -2.729 0.900 -11.955 1.00 0.00 C ATOM 84 C VAL A 160 -3.433 -0.320 -11.360 1.00 0.00 C ATOM 85 O VAL A 160 -4.349 -0.182 -10.549 1.00 0.00 O ATOM 86 CB VAL A 160 -3.138 1.102 -13.444 1.00 0.00 C ATOM 87 CG1 VAL A 160 -3.631 -0.188 -14.094 1.00 0.00 C ATOM 88 CG2 VAL A 160 -4.200 2.186 -13.552 1.00 0.00 C ATOM 0 H VAL A 160 -0.944 1.224 -10.906 1.00 0.00 H new ATOM 0 HA VAL A 160 -3.055 1.788 -11.414 1.00 0.00 H new ATOM 0 HB VAL A 160 -2.244 1.411 -13.985 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -3.903 0.008 -15.131 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -2.840 -0.937 -14.062 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -4.503 -0.558 -13.554 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -4.479 2.319 -14.597 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.078 1.894 -12.977 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -3.805 3.123 -13.160 1.00 0.00 H new ATOM 98 N PHE A 161 -2.993 -1.515 -11.753 1.00 0.00 N ATOM 99 CA PHE A 161 -3.578 -2.753 -11.242 1.00 0.00 C ATOM 100 C PHE A 161 -3.054 -3.076 -9.839 1.00 0.00 C ATOM 101 O PHE A 161 -2.906 -4.243 -9.474 1.00 0.00 O ATOM 102 CB PHE A 161 -3.308 -3.915 -12.210 1.00 0.00 C ATOM 103 CG PHE A 161 -1.987 -4.605 -12.008 1.00 0.00 C ATOM 104 CD1 PHE A 161 -0.846 -3.880 -11.702 1.00 0.00 C ATOM 105 CD2 PHE A 161 -1.889 -5.983 -12.126 1.00 0.00 C ATOM 106 CE1 PHE A 161 0.366 -4.517 -11.518 1.00 0.00 C ATOM 107 CE2 PHE A 161 -0.679 -6.625 -11.943 1.00 0.00 C ATOM 108 CZ PHE A 161 0.450 -5.891 -11.638 1.00 0.00 C ATOM 0 H PHE A 161 -2.235 -1.651 -12.422 1.00 0.00 H new ATOM 0 HA PHE A 161 -4.656 -2.612 -11.167 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -4.106 -4.650 -12.106 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -3.353 -3.537 -13.232 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.905 -2.806 -11.606 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.769 -6.562 -12.364 1.00 0.00 H new ATOM 0 HE1 PHE A 161 1.248 -3.941 -11.280 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -0.617 -7.699 -12.038 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.397 -6.390 -11.493 1.00 0.00 H new ATOM 118 N PHE A 162 -2.780 -2.034 -9.061 1.00 0.00 N ATOM 119 CA PHE A 162 -2.275 -2.194 -7.700 1.00 0.00 C ATOM 120 C PHE A 162 -2.289 -0.868 -6.937 1.00 0.00 C ATOM 121 O PHE A 162 -2.159 -0.853 -5.714 1.00 0.00 O ATOM 122 CB PHE A 162 -0.851 -2.749 -7.712 1.00 0.00 C ATOM 123 CG PHE A 162 -0.777 -4.251 -7.768 1.00 0.00 C ATOM 124 CD1 PHE A 162 -1.664 -5.036 -7.044 1.00 0.00 C ATOM 125 CD2 PHE A 162 0.182 -4.877 -8.547 1.00 0.00 C ATOM 126 CE1 PHE A 162 -1.592 -6.414 -7.099 1.00 0.00 C ATOM 127 CE2 PHE A 162 0.259 -6.255 -8.604 1.00 0.00 C ATOM 128 CZ PHE A 162 -0.629 -7.026 -7.879 1.00 0.00 C ATOM 0 H PHE A 162 -2.900 -1.064 -9.351 1.00 0.00 H new ATOM 0 HA PHE A 162 -2.937 -2.897 -7.194 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -0.319 -2.338 -8.570 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -0.330 -2.403 -6.819 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -2.418 -4.564 -6.431 1.00 0.00 H new ATOM 0 HD2 PHE A 162 0.878 -4.280 -9.117 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -2.289 -7.014 -6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 162 1.013 -6.729 -9.215 1.00 0.00 H new ATOM 0 HZ PHE A 162 -0.571 -8.104 -7.922 1.00 0.00 H new ATOM 138 N LEU A 163 -2.456 0.244 -7.654 1.00 0.00 N ATOM 139 CA LEU A 163 -2.494 1.551 -7.016 1.00 0.00 C ATOM 140 C LEU A 163 -3.662 1.600 -6.046 1.00 0.00 C ATOM 141 O LEU A 163 -3.578 2.206 -4.980 1.00 0.00 O ATOM 142 CB LEU A 163 -2.631 2.654 -8.069 1.00 0.00 C ATOM 143 CG LEU A 163 -2.476 4.081 -7.541 1.00 0.00 C ATOM 144 CD1 LEU A 163 -1.233 4.196 -6.674 1.00 0.00 C ATOM 145 CD2 LEU A 163 -2.420 5.073 -8.693 1.00 0.00 C ATOM 0 H LEU A 163 -2.566 0.262 -8.668 1.00 0.00 H new ATOM 0 HA LEU A 163 -1.564 1.714 -6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -1.884 2.488 -8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -3.609 2.563 -8.542 1.00 0.00 H new ATOM 0 HG LEU A 163 -3.345 4.318 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -1.139 5.218 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -1.315 3.513 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -0.353 3.940 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -2.310 6.083 -8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -1.570 4.839 -9.334 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -3.340 5.009 -9.273 1.00 0.00 H new ATOM 157 N PHE A 164 -4.743 0.925 -6.419 1.00 0.00 N ATOM 158 CA PHE A 164 -5.930 0.848 -5.579 1.00 0.00 C ATOM 159 C PHE A 164 -6.324 2.224 -5.045 1.00 0.00 C ATOM 160 O PHE A 164 -6.726 2.353 -3.888 1.00 0.00 O ATOM 161 CB PHE A 164 -5.669 -0.116 -4.422 1.00 0.00 C ATOM 162 CG PHE A 164 -6.856 -0.962 -4.062 1.00 0.00 C ATOM 163 CD1 PHE A 164 -7.316 -1.940 -4.928 1.00 0.00 C ATOM 164 CD2 PHE A 164 -7.512 -0.779 -2.855 1.00 0.00 C ATOM 165 CE1 PHE A 164 -8.408 -2.720 -4.599 1.00 0.00 C ATOM 166 CE2 PHE A 164 -8.605 -1.556 -2.519 1.00 0.00 C ATOM 167 CZ PHE A 164 -9.054 -2.528 -3.393 1.00 0.00 C ATOM 0 H PHE A 164 -4.821 0.421 -7.302 1.00 0.00 H new ATOM 0 HA PHE A 164 -6.760 0.480 -6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 164 -4.836 -0.768 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 164 -5.363 0.456 -3.546 1.00 0.00 H new ATOM 0 HD1 PHE A 164 -6.815 -2.095 -5.872 1.00 0.00 H new ATOM 0 HD2 PHE A 164 -7.165 -0.020 -2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 164 -8.756 -3.479 -5.284 1.00 0.00 H new ATOM 0 HE2 PHE A 164 -9.107 -1.404 -1.575 1.00 0.00 H new ATOM 0 HZ PHE A 164 -9.908 -3.136 -3.134 1.00 0.00 H new ATOM 177 N LEU A 165 -6.190 3.249 -5.893 1.00 0.00 N ATOM 178 CA LEU A 165 -6.518 4.630 -5.520 1.00 0.00 C ATOM 179 C LEU A 165 -5.329 5.313 -4.856 1.00 0.00 C ATOM 180 O LEU A 165 -5.161 6.529 -4.954 1.00 0.00 O ATOM 181 CB LEU A 165 -7.720 4.686 -4.572 1.00 0.00 C ATOM 182 CG LEU A 165 -8.725 5.803 -4.860 1.00 0.00 C ATOM 183 CD1 LEU A 165 -8.020 7.147 -4.948 1.00 0.00 C ATOM 184 CD2 LEU A 165 -9.489 5.515 -6.144 1.00 0.00 C ATOM 0 H LEU A 165 -5.854 3.147 -6.851 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.770 5.155 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -8.241 3.730 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -7.353 4.803 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 165 -9.439 5.844 -4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -8.751 7.929 -5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -7.519 7.358 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -7.283 7.120 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -10.199 6.320 -6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -8.789 5.446 -6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -10.027 4.572 -6.044 1.00 0.00 H new ATOM 196 N LEU A 166 -4.518 4.523 -4.165 1.00 0.00 N ATOM 197 CA LEU A 166 -3.357 5.042 -3.463 1.00 0.00 C ATOM 198 C LEU A 166 -2.384 3.907 -3.159 1.00 0.00 C ATOM 199 O LEU A 166 -2.801 2.824 -2.748 1.00 0.00 O ATOM 200 CB LEU A 166 -3.812 5.723 -2.173 1.00 0.00 C ATOM 201 CG LEU A 166 -3.372 7.183 -2.020 1.00 0.00 C ATOM 202 CD1 LEU A 166 -4.582 8.105 -1.989 1.00 0.00 C ATOM 203 CD2 LEU A 166 -2.532 7.361 -0.763 1.00 0.00 C ATOM 0 H LEU A 166 -4.646 3.515 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 166 -2.845 5.773 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -4.900 5.680 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -3.430 5.154 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 166 -2.759 7.448 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -4.250 9.137 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -5.143 8.000 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -5.221 7.838 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -2.229 8.404 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -3.119 7.076 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -1.645 6.730 -0.826 1.00 0.00 H new ATOM 215 N PRO A 167 -1.074 4.123 -3.372 1.00 0.00 N ATOM 216 CA PRO A 167 -0.068 3.099 -3.135 1.00 0.00 C ATOM 217 C PRO A 167 0.489 3.118 -1.713 1.00 0.00 C ATOM 218 O PRO A 167 1.317 3.961 -1.374 1.00 0.00 O ATOM 219 CB PRO A 167 1.021 3.471 -4.130 1.00 0.00 C ATOM 220 CG PRO A 167 0.940 4.961 -4.253 1.00 0.00 C ATOM 221 CD PRO A 167 -0.470 5.367 -3.879 1.00 0.00 C ATOM 0 HA PRO A 167 -0.475 2.095 -3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 167 2.003 3.157 -3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 167 0.859 2.986 -5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 167 1.665 5.441 -3.596 1.00 0.00 H new ATOM 0 HG3 PRO A 167 1.174 5.276 -5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 167 -0.472 6.150 -3.121 1.00 0.00 H new ATOM 0 HD3 PRO A 167 -1.016 5.754 -4.739 1.00 0.00 H new ATOM 229 N PRO A 168 0.050 2.174 -0.867 1.00 0.00 N ATOM 230 CA PRO A 168 0.520 2.074 0.518 1.00 0.00 C ATOM 231 C PRO A 168 1.965 1.595 0.590 1.00 0.00 C ATOM 232 O PRO A 168 2.226 0.420 0.834 1.00 0.00 O ATOM 233 CB PRO A 168 -0.412 1.026 1.128 1.00 0.00 C ATOM 234 CG PRO A 168 -0.813 0.181 -0.029 1.00 0.00 C ATOM 235 CD PRO A 168 -0.927 1.119 -1.193 1.00 0.00 C ATOM 0 HA PRO A 168 0.501 3.035 1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 168 0.095 0.439 1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 168 -1.277 1.489 1.602 1.00 0.00 H new ATOM 0 HG2 PRO A 168 -0.073 -0.596 -0.222 1.00 0.00 H new ATOM 0 HG3 PRO A 168 -1.761 -0.322 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 168 -0.688 0.625 -2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 168 -1.936 1.520 -1.291 1.00 0.00 H new ATOM 243 N ILE A 169 2.902 2.508 0.373 1.00 0.00 N ATOM 244 CA ILE A 169 4.317 2.166 0.409 1.00 0.00 C ATOM 245 C ILE A 169 4.767 1.878 1.840 1.00 0.00 C ATOM 246 O ILE A 169 5.637 1.046 2.072 1.00 0.00 O ATOM 247 CB ILE A 169 5.178 3.297 -0.205 1.00 0.00 C ATOM 248 CG1 ILE A 169 6.336 2.710 -1.016 1.00 0.00 C ATOM 249 CG2 ILE A 169 5.702 4.246 0.867 1.00 0.00 C ATOM 250 CD1 ILE A 169 7.188 1.729 -0.240 1.00 0.00 C ATOM 0 H ILE A 169 2.708 3.489 0.171 1.00 0.00 H new ATOM 0 HA ILE A 169 4.457 1.265 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 169 4.539 3.874 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 169 5.934 2.210 -1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 169 6.968 3.524 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 169 6.302 5.027 0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 169 4.862 4.700 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 169 6.317 3.691 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 169 7.987 1.356 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 169 7.620 2.229 0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 169 6.570 0.895 0.093 1.00 0.00 H new ATOM 262 N ILE A 170 4.156 2.578 2.786 1.00 0.00 N ATOM 263 CA ILE A 170 4.464 2.418 4.203 1.00 0.00 C ATOM 264 C ILE A 170 3.755 1.200 4.789 1.00 0.00 C ATOM 265 O ILE A 170 4.377 0.357 5.432 1.00 0.00 O ATOM 266 CB ILE A 170 4.064 3.669 5.011 1.00 0.00 C ATOM 267 CG1 ILE A 170 4.653 4.928 4.369 1.00 0.00 C ATOM 268 CG2 ILE A 170 4.521 3.540 6.459 1.00 0.00 C ATOM 269 CD1 ILE A 170 3.660 5.698 3.526 1.00 0.00 C ATOM 0 H ILE A 170 3.434 3.272 2.595 1.00 0.00 H new ATOM 0 HA ILE A 170 5.542 2.276 4.276 1.00 0.00 H new ATOM 0 HB ILE A 170 2.977 3.754 5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 170 5.035 5.581 5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 170 5.503 4.646 3.748 1.00 0.00 H new ATOM 0 HG21 ILE A 170 4.230 4.432 7.013 1.00 0.00 H new ATOM 0 HG22 ILE A 170 4.055 2.664 6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 170 5.605 3.431 6.490 1.00 0.00 H new ATOM 0 HD11 ILE A 170 4.146 6.577 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 170 3.296 5.061 2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 170 2.821 6.011 4.147 1.00 0.00 H new ATOM 281 N LEU A 171 2.449 1.111 4.562 1.00 0.00 N ATOM 282 CA LEU A 171 1.665 -0.010 5.069 1.00 0.00 C ATOM 283 C LEU A 171 2.114 -1.301 4.402 1.00 0.00 C ATOM 284 O LEU A 171 2.416 -2.293 5.067 1.00 0.00 O ATOM 285 CB LEU A 171 0.174 0.217 4.804 1.00 0.00 C ATOM 286 CG LEU A 171 -0.480 1.309 5.649 1.00 0.00 C ATOM 287 CD1 LEU A 171 0.060 2.679 5.267 1.00 0.00 C ATOM 288 CD2 LEU A 171 -1.992 1.268 5.489 1.00 0.00 C ATOM 0 H LEU A 171 1.913 1.798 4.033 1.00 0.00 H new ATOM 0 HA LEU A 171 1.823 -0.086 6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 171 0.043 0.468 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -0.356 -0.720 4.977 1.00 0.00 H new ATOM 0 HG LEU A 171 -0.237 1.126 6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -0.418 3.443 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 171 1.137 2.704 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -0.151 2.873 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -2.444 2.052 6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -2.252 1.426 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -2.366 0.297 5.813 1.00 0.00 H new ATOM 300 N ASP A 172 2.169 -1.267 3.078 1.00 0.00 N ATOM 301 CA ASP A 172 2.594 -2.414 2.290 1.00 0.00 C ATOM 302 C ASP A 172 4.105 -2.617 2.388 1.00 0.00 C ATOM 303 O ASP A 172 4.639 -3.595 1.865 1.00 0.00 O ATOM 304 CB ASP A 172 2.184 -2.241 0.828 1.00 0.00 C ATOM 305 CG ASP A 172 1.867 -3.563 0.156 1.00 0.00 C ATOM 306 OD1 ASP A 172 2.800 -4.370 -0.038 1.00 0.00 O ATOM 307 OD2 ASP A 172 0.684 -3.791 -0.177 1.00 0.00 O ATOM 0 H ASP A 172 1.922 -0.448 2.523 1.00 0.00 H new ATOM 0 HA ASP A 172 2.101 -3.298 2.694 1.00 0.00 H new ATOM 0 HB2 ASP A 172 1.311 -1.590 0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 172 2.987 -1.744 0.285 1.00 0.00 H new ATOM 312 N ALA A 173 4.795 -1.701 3.072 1.00 0.00 N ATOM 313 CA ALA A 173 6.236 -1.818 3.234 1.00 0.00 C ATOM 314 C ALA A 173 6.529 -2.958 4.197 1.00 0.00 C ATOM 315 O ALA A 173 6.996 -4.028 3.804 1.00 0.00 O ATOM 316 CB ALA A 173 6.828 -0.519 3.761 1.00 0.00 C ATOM 0 H ALA A 173 4.380 -0.881 3.516 1.00 0.00 H new ATOM 0 HA ALA A 173 6.692 -2.024 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 173 7.906 -0.630 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 173 6.618 0.288 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 173 6.384 -0.283 4.728 1.00 0.00 H new ATOM 322 N GLY A 174 6.201 -2.719 5.457 1.00 0.00 N ATOM 323 CA GLY A 174 6.371 -3.720 6.492 1.00 0.00 C ATOM 324 C GLY A 174 5.051 -3.991 7.192 1.00 0.00 C ATOM 325 O GLY A 174 4.812 -5.087 7.698 1.00 0.00 O ATOM 0 H GLY A 174 5.814 -1.835 5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 174 6.754 -4.642 6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 174 7.111 -3.380 7.217 1.00 0.00 H new ATOM 329 N TYR A 175 4.189 -2.972 7.197 1.00 0.00 N ATOM 330 CA TYR A 175 2.867 -3.042 7.804 1.00 0.00 C ATOM 331 C TYR A 175 2.921 -2.879 9.325 1.00 0.00 C ATOM 332 O TYR A 175 1.918 -2.530 9.948 1.00 0.00 O ATOM 333 CB TYR A 175 2.166 -4.353 7.441 1.00 0.00 C ATOM 334 CG TYR A 175 0.675 -4.326 7.692 1.00 0.00 C ATOM 335 CD1 TYR A 175 0.167 -4.458 8.978 1.00 0.00 C ATOM 336 CD2 TYR A 175 -0.223 -4.161 6.645 1.00 0.00 C ATOM 337 CE1 TYR A 175 -1.195 -4.429 9.213 1.00 0.00 C ATOM 338 CE2 TYR A 175 -1.586 -4.132 6.872 1.00 0.00 C ATOM 339 CZ TYR A 175 -2.066 -4.266 8.158 1.00 0.00 C ATOM 340 OH TYR A 175 -3.423 -4.235 8.388 1.00 0.00 O ATOM 0 H TYR A 175 4.396 -2.067 6.774 1.00 0.00 H new ATOM 0 HA TYR A 175 2.291 -2.209 7.401 1.00 0.00 H new ATOM 0 HB2 TYR A 175 2.346 -4.573 6.389 1.00 0.00 H new ATOM 0 HB3 TYR A 175 2.609 -5.165 8.017 1.00 0.00 H new ATOM 0 HD1 TYR A 175 0.847 -4.585 9.807 1.00 0.00 H new ATOM 0 HD2 TYR A 175 0.150 -4.054 5.637 1.00 0.00 H new ATOM 0 HE1 TYR A 175 -1.574 -4.534 10.219 1.00 0.00 H new ATOM 0 HE2 TYR A 175 -2.271 -4.005 6.047 1.00 0.00 H new ATOM 0 HH TYR A 175 -3.896 -4.112 7.539 1.00 0.00 H new ATOM 350 N PHE A 176 4.089 -3.112 9.920 1.00 0.00 N ATOM 351 CA PHE A 176 4.249 -2.964 11.362 1.00 0.00 C ATOM 352 C PHE A 176 4.787 -1.573 11.673 1.00 0.00 C ATOM 353 O PHE A 176 5.730 -1.409 12.447 1.00 0.00 O ATOM 354 CB PHE A 176 5.195 -4.033 11.913 1.00 0.00 C ATOM 355 CG PHE A 176 4.826 -4.506 13.291 1.00 0.00 C ATOM 356 CD1 PHE A 176 3.511 -4.806 13.607 1.00 0.00 C ATOM 357 CD2 PHE A 176 5.797 -4.653 14.270 1.00 0.00 C ATOM 358 CE1 PHE A 176 3.170 -5.243 14.873 1.00 0.00 C ATOM 359 CE2 PHE A 176 5.462 -5.088 15.538 1.00 0.00 C ATOM 360 CZ PHE A 176 4.146 -5.384 15.840 1.00 0.00 C ATOM 0 H PHE A 176 4.934 -3.403 9.428 1.00 0.00 H new ATOM 0 HA PHE A 176 3.278 -3.091 11.840 1.00 0.00 H new ATOM 0 HB2 PHE A 176 5.202 -4.886 11.234 1.00 0.00 H new ATOM 0 HB3 PHE A 176 6.209 -3.634 11.934 1.00 0.00 H new ATOM 0 HD1 PHE A 176 2.743 -4.697 12.855 1.00 0.00 H new ATOM 0 HD2 PHE A 176 6.827 -4.425 14.039 1.00 0.00 H new ATOM 0 HE1 PHE A 176 2.141 -5.474 15.106 1.00 0.00 H new ATOM 0 HE2 PHE A 176 6.227 -5.197 16.292 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.882 -5.725 16.830 1.00 0.00 H new ATOM 370 N LEU A 177 4.177 -0.579 11.040 1.00 0.00 N ATOM 371 CA LEU A 177 4.572 0.810 11.205 1.00 0.00 C ATOM 372 C LEU A 177 6.030 1.020 10.802 1.00 0.00 C ATOM 373 O LEU A 177 6.814 1.612 11.544 1.00 0.00 O ATOM 374 CB LEU A 177 4.344 1.271 12.645 1.00 0.00 C ATOM 375 CG LEU A 177 2.908 1.689 12.969 1.00 0.00 C ATOM 376 CD1 LEU A 177 2.533 1.263 14.380 1.00 0.00 C ATOM 377 CD2 LEU A 177 2.740 3.191 12.802 1.00 0.00 C ATOM 0 H LEU A 177 3.395 -0.715 10.399 1.00 0.00 H new ATOM 0 HA LEU A 177 3.948 1.414 10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 177 4.633 0.465 13.319 1.00 0.00 H new ATOM 0 HB3 LEU A 177 5.007 2.112 12.851 1.00 0.00 H new ATOM 0 HG LEU A 177 2.238 1.188 12.270 1.00 0.00 H new ATOM 0 HD11 LEU A 177 1.509 1.569 14.592 1.00 0.00 H new ATOM 0 HD12 LEU A 177 2.613 0.179 14.466 1.00 0.00 H new ATOM 0 HD13 LEU A 177 3.208 1.735 15.094 1.00 0.00 H new ATOM 0 HD21 LEU A 177 1.713 3.471 13.036 1.00 0.00 H new ATOM 0 HD22 LEU A 177 3.420 3.710 13.477 1.00 0.00 H new ATOM 0 HD23 LEU A 177 2.966 3.470 11.773 1.00 0.00 H new ATOM 389 N PRO A 178 6.405 0.536 9.607 1.00 0.00 N ATOM 390 CA PRO A 178 7.765 0.667 9.077 1.00 0.00 C ATOM 391 C PRO A 178 8.370 2.051 9.303 1.00 0.00 C ATOM 392 O PRO A 178 9.588 2.196 9.394 1.00 0.00 O ATOM 393 CB PRO A 178 7.554 0.416 7.588 1.00 0.00 C ATOM 394 CG PRO A 178 6.451 -0.568 7.546 1.00 0.00 C ATOM 395 CD PRO A 178 5.523 -0.181 8.661 1.00 0.00 C ATOM 0 HA PRO A 178 8.464 -0.013 9.564 1.00 0.00 H new ATOM 0 HB2 PRO A 178 7.291 1.334 7.062 1.00 0.00 H new ATOM 0 HB3 PRO A 178 8.456 0.025 7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 178 5.940 -0.543 6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 178 6.825 -1.583 7.682 1.00 0.00 H new ATOM 0 HD2 PRO A 178 4.712 0.455 8.306 1.00 0.00 H new ATOM 0 HD3 PRO A 178 5.064 -1.055 9.123 1.00 0.00 H new ATOM 403 N LEU A 179 7.516 3.066 9.389 1.00 0.00 N ATOM 404 CA LEU A 179 7.980 4.432 9.601 1.00 0.00 C ATOM 405 C LEU A 179 8.773 4.541 10.898 1.00 0.00 C ATOM 406 O LEU A 179 9.898 5.041 10.910 1.00 0.00 O ATOM 407 CB LEU A 179 6.796 5.403 9.623 1.00 0.00 C ATOM 408 CG LEU A 179 6.917 6.591 8.665 1.00 0.00 C ATOM 409 CD1 LEU A 179 7.232 6.112 7.255 1.00 0.00 C ATOM 410 CD2 LEU A 179 5.639 7.417 8.679 1.00 0.00 C ATOM 0 H LEU A 179 6.503 2.969 9.315 1.00 0.00 H new ATOM 0 HA LEU A 179 8.637 4.698 8.773 1.00 0.00 H new ATOM 0 HB2 LEU A 179 5.888 4.851 9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 179 6.676 5.784 10.637 1.00 0.00 H new ATOM 0 HG LEU A 179 7.739 7.223 9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 179 7.314 6.971 6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 179 8.174 5.564 7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 179 6.433 5.457 6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 179 5.742 8.258 7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 179 4.800 6.795 8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.459 7.791 9.687 1.00 0.00 H new ATOM 422 N ARG A 180 8.181 4.068 11.988 1.00 0.00 N ATOM 423 CA ARG A 180 8.836 4.112 13.287 1.00 0.00 C ATOM 424 C ARG A 180 9.649 2.844 13.532 1.00 0.00 C ATOM 425 O ARG A 180 9.896 2.466 14.678 1.00 0.00 O ATOM 426 CB ARG A 180 7.804 4.295 14.407 1.00 0.00 C ATOM 427 CG ARG A 180 7.091 5.652 14.423 1.00 0.00 C ATOM 428 CD ARG A 180 7.650 6.644 13.406 1.00 0.00 C ATOM 429 NE ARG A 180 8.989 7.111 13.757 1.00 0.00 N ATOM 430 CZ ARG A 180 9.254 7.893 14.802 1.00 0.00 C ATOM 431 NH1 ARG A 180 8.272 8.308 15.594 1.00 0.00 N ATOM 432 NH2 ARG A 180 10.501 8.268 15.048 1.00 0.00 N ATOM 0 H ARG A 180 7.250 3.651 11.997 1.00 0.00 H new ATOM 0 HA ARG A 180 9.515 4.965 13.289 1.00 0.00 H new ATOM 0 HB2 ARG A 180 7.053 3.509 14.319 1.00 0.00 H new ATOM 0 HB3 ARG A 180 8.303 4.154 15.366 1.00 0.00 H new ATOM 0 HG2 ARG A 180 6.030 5.499 14.225 1.00 0.00 H new ATOM 0 HG3 ARG A 180 7.170 6.083 15.421 1.00 0.00 H new ATOM 0 HD2 ARG A 180 7.679 6.174 12.423 1.00 0.00 H new ATOM 0 HD3 ARG A 180 6.979 7.499 13.331 1.00 0.00 H new ATOM 0 HE ARG A 180 9.768 6.821 13.166 1.00 0.00 H new ATOM 0 HH11 ARG A 180 7.310 8.028 15.403 1.00 0.00 H new ATOM 0 HH12 ARG A 180 8.480 8.907 16.393 1.00 0.00 H new ATOM 0 HH21 ARG A 180 11.257 7.958 14.437 1.00 0.00 H new ATOM 0 HH22 ARG A 180 10.705 8.867 15.848 1.00 0.00 H new HETATM 446 N HSL A 181 10.070 2.178 12.396 1.00 0.00 N HETATM 447 CA HSL A 181 10.850 0.958 12.462 1.00 0.00 C HETATM 448 C HSL A 181 12.219 1.112 11.814 1.00 0.00 C HETATM 449 O HSL A 181 13.171 1.715 12.250 1.00 0.00 O HETATM 450 CB HSL A 181 10.241 -0.210 11.702 1.00 0.00 C HETATM 451 CG HSL A 181 10.988 -0.156 10.377 1.00 0.00 C HETATM 452 OD HSL A 181 12.223 0.457 10.641 1.00 0.00 O HETATM 0 HG3 HSL A 181 11.131 -1.157 9.971 1.00 0.00 H new HETATM 0 HG2 HSL A 181 10.424 0.411 9.636 1.00 0.00 H new HETATM 0 HB3 HSL A 181 10.396 -1.157 12.219 1.00 0.00 H new HETATM 0 HB2 HSL A 181 9.166 -0.092 11.568 1.00 0.00 H new HETATM 0 HA HSL A 181 10.893 0.765 13.534 1.00 0.00 H new TER 459 HSL A 181