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= -0.0696 X(o=-0.07,f=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 175 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 155 0.490 12.370 -12.779 1.00 0.00 N ATOM 2 CA PHE A 155 -0.577 13.330 -12.386 1.00 0.00 C ATOM 3 C PHE A 155 -1.389 12.817 -11.207 1.00 0.00 C ATOM 4 O PHE A 155 -2.215 13.539 -10.649 1.00 0.00 O ATOM 5 CB PHE A 155 -1.487 13.568 -13.590 1.00 0.00 C ATOM 6 CG PHE A 155 -2.147 14.917 -13.593 1.00 0.00 C ATOM 7 CD1 PHE A 155 -3.295 15.143 -12.851 1.00 0.00 C ATOM 8 CD2 PHE A 155 -1.619 15.960 -14.338 1.00 0.00 C ATOM 9 CE1 PHE A 155 -3.905 16.383 -12.853 1.00 0.00 C ATOM 10 CE2 PHE A 155 -2.226 17.202 -14.345 1.00 0.00 C ATOM 11 CZ PHE A 155 -3.371 17.413 -13.600 1.00 0.00 C ATOM 0 HA PHE A 155 -0.111 14.264 -12.073 1.00 0.00 H new ATOM 0 HB2 PHE A 155 -0.902 13.458 -14.503 1.00 0.00 H new ATOM 0 HB3 PHE A 155 -2.257 12.797 -13.610 1.00 0.00 H new ATOM 0 HD1 PHE A 155 -3.718 14.341 -12.264 1.00 0.00 H new ATOM 0 HD2 PHE A 155 -0.723 15.800 -14.920 1.00 0.00 H new ATOM 0 HE1 PHE A 155 -4.799 16.546 -12.270 1.00 0.00 H new ATOM 0 HE2 PHE A 155 -1.806 18.006 -14.931 1.00 0.00 H new ATOM 0 HZ PHE A 155 -3.847 18.382 -13.603 1.00 0.00 H new ATOM 23 N LEU A 156 -1.149 11.571 -10.832 1.00 0.00 N ATOM 24 CA LEU A 156 -1.853 10.959 -9.718 1.00 0.00 C ATOM 25 C LEU A 156 -3.353 10.866 -9.992 1.00 0.00 C ATOM 26 O LEU A 156 -4.146 10.656 -9.075 1.00 0.00 O ATOM 27 CB LEU A 156 -1.605 11.748 -8.431 1.00 0.00 C ATOM 28 CG LEU A 156 -0.328 11.373 -7.678 1.00 0.00 C ATOM 29 CD1 LEU A 156 -0.148 12.255 -6.453 1.00 0.00 C ATOM 30 CD2 LEU A 156 -0.358 9.904 -7.281 1.00 0.00 C ATOM 0 H LEU A 156 -0.468 10.961 -11.286 1.00 0.00 H new ATOM 0 HA LEU A 156 -1.466 9.947 -9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 156 -1.566 12.810 -8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 156 -2.456 11.605 -7.765 1.00 0.00 H new ATOM 0 HG LEU A 156 0.522 11.534 -8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 156 0.766 11.972 -5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 156 -0.081 13.298 -6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 156 -1.000 12.129 -5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 156 0.558 9.653 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 156 -1.217 9.719 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 156 -0.436 9.287 -8.176 1.00 0.00 H new ATOM 42 N GLN A 157 -3.735 11.024 -11.257 1.00 0.00 N ATOM 43 CA GLN A 157 -5.138 10.959 -11.646 1.00 0.00 C ATOM 44 C GLN A 157 -5.656 9.523 -11.662 1.00 0.00 C ATOM 45 O GLN A 157 -6.831 9.289 -11.939 1.00 0.00 O ATOM 46 CB GLN A 157 -5.338 11.603 -13.019 1.00 0.00 C ATOM 47 CG GLN A 157 -4.588 10.898 -14.137 1.00 0.00 C ATOM 48 CD GLN A 157 -5.321 10.966 -15.463 1.00 0.00 C ATOM 49 OE1 GLN A 157 -4.835 11.563 -16.425 1.00 0.00 O ATOM 50 NE2 GLN A 157 -6.498 10.354 -15.521 1.00 0.00 N ATOM 0 H GLN A 157 -3.091 11.198 -12.029 1.00 0.00 H new ATOM 0 HA GLN A 157 -5.711 11.511 -10.901 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -6.402 11.611 -13.256 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -5.013 12.643 -12.974 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -3.601 11.348 -14.248 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -4.434 9.854 -13.864 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -6.863 9.871 -14.700 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -7.037 10.367 -16.387 1.00 0.00 H new ATOM 59 N SER A 158 -4.784 8.562 -11.367 1.00 0.00 N ATOM 60 CA SER A 158 -5.180 7.159 -11.356 1.00 0.00 C ATOM 61 C SER A 158 -6.031 6.843 -10.125 1.00 0.00 C ATOM 62 O SER A 158 -5.712 5.941 -9.351 1.00 0.00 O ATOM 63 CB SER A 158 -3.944 6.258 -11.387 1.00 0.00 C ATOM 64 OG SER A 158 -2.882 6.875 -12.093 1.00 0.00 O ATOM 0 H SER A 158 -3.805 8.729 -11.134 1.00 0.00 H new ATOM 0 HA SER A 158 -5.779 6.968 -12.246 1.00 0.00 H new ATOM 0 HB2 SER A 158 -3.627 6.035 -10.368 1.00 0.00 H new ATOM 0 HB3 SER A 158 -4.194 5.307 -11.858 1.00 0.00 H new ATOM 0 HG SER A 158 -2.103 6.280 -12.097 1.00 0.00 H new ATOM 70 N ASP A 159 -7.115 7.597 -9.952 1.00 0.00 N ATOM 71 CA ASP A 159 -8.020 7.419 -8.822 1.00 0.00 C ATOM 72 C ASP A 159 -7.346 7.842 -7.524 1.00 0.00 C ATOM 73 O ASP A 159 -7.767 8.795 -6.871 1.00 0.00 O ATOM 74 CB ASP A 159 -8.483 5.962 -8.727 1.00 0.00 C ATOM 75 CG ASP A 159 -9.930 5.787 -9.146 1.00 0.00 C ATOM 76 OD1 ASP A 159 -10.438 6.643 -9.900 1.00 0.00 O ATOM 77 OD2 ASP A 159 -10.556 4.793 -8.720 1.00 0.00 O ATOM 0 H ASP A 159 -7.388 8.345 -10.589 1.00 0.00 H new ATOM 0 HA ASP A 159 -8.893 8.052 -8.982 1.00 0.00 H new ATOM 0 HB2 ASP A 159 -7.847 5.340 -9.357 1.00 0.00 H new ATOM 0 HB3 ASP A 159 -8.359 5.610 -7.703 1.00 0.00 H new ATOM 82 N VAL A 160 -6.291 7.126 -7.171 1.00 0.00 N ATOM 83 CA VAL A 160 -5.523 7.403 -5.958 1.00 0.00 C ATOM 84 C VAL A 160 -6.332 7.099 -4.688 1.00 0.00 C ATOM 85 O VAL A 160 -5.878 6.364 -3.812 1.00 0.00 O ATOM 86 CB VAL A 160 -5.000 8.868 -5.945 1.00 0.00 C ATOM 87 CG1 VAL A 160 -5.720 9.739 -4.919 1.00 0.00 C ATOM 88 CG2 VAL A 160 -3.500 8.891 -5.695 1.00 0.00 C ATOM 0 H VAL A 160 -5.940 6.337 -7.713 1.00 0.00 H new ATOM 0 HA VAL A 160 -4.661 6.735 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.212 9.290 -6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -5.316 10.751 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -6.785 9.766 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.574 9.323 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.148 9.923 -5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -3.284 8.428 -4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -2.991 8.339 -6.485 1.00 0.00 H new ATOM 98 N PHE A 161 -7.527 7.675 -4.598 1.00 0.00 N ATOM 99 CA PHE A 161 -8.401 7.481 -3.447 1.00 0.00 C ATOM 100 C PHE A 161 -9.101 6.125 -3.483 1.00 0.00 C ATOM 101 O PHE A 161 -9.927 5.829 -2.620 1.00 0.00 O ATOM 102 CB PHE A 161 -9.442 8.602 -3.382 1.00 0.00 C ATOM 103 CG PHE A 161 -9.464 9.326 -2.067 1.00 0.00 C ATOM 104 CD1 PHE A 161 -10.093 8.770 -0.964 1.00 0.00 C ATOM 105 CD2 PHE A 161 -8.858 10.566 -1.932 1.00 0.00 C ATOM 106 CE1 PHE A 161 -10.117 9.435 0.247 1.00 0.00 C ATOM 107 CE2 PHE A 161 -8.879 11.236 -0.724 1.00 0.00 C ATOM 108 CZ PHE A 161 -9.510 10.669 0.367 1.00 0.00 C ATOM 0 H PHE A 161 -7.915 8.286 -5.317 1.00 0.00 H new ATOM 0 HA PHE A 161 -7.776 7.508 -2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -9.242 9.319 -4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -10.429 8.181 -3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -10.570 7.805 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -8.364 11.013 -2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 161 -10.610 8.990 1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -8.403 12.201 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 161 -9.528 11.191 1.312 1.00 0.00 H new ATOM 118 N PHE A 162 -8.780 5.303 -4.478 1.00 0.00 N ATOM 119 CA PHE A 162 -9.400 3.993 -4.594 1.00 0.00 C ATOM 120 C PHE A 162 -8.701 3.129 -5.632 1.00 0.00 C ATOM 121 O PHE A 162 -9.230 2.093 -6.036 1.00 0.00 O ATOM 122 CB PHE A 162 -10.878 4.127 -4.952 1.00 0.00 C ATOM 123 CG PHE A 162 -11.758 3.127 -4.256 1.00 0.00 C ATOM 124 CD1 PHE A 162 -11.933 1.857 -4.782 1.00 0.00 C ATOM 125 CD2 PHE A 162 -12.411 3.458 -3.079 1.00 0.00 C ATOM 126 CE1 PHE A 162 -12.743 0.936 -4.146 1.00 0.00 C ATOM 127 CE2 PHE A 162 -13.222 2.539 -2.440 1.00 0.00 C ATOM 128 CZ PHE A 162 -13.388 1.277 -2.974 1.00 0.00 C ATOM 0 H PHE A 162 -8.101 5.520 -5.207 1.00 0.00 H new ATOM 0 HA PHE A 162 -9.305 3.506 -3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -11.215 5.133 -4.700 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -10.994 4.013 -6.030 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -11.431 1.584 -5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -12.285 4.444 -2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -12.872 -0.051 -4.566 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -13.726 2.808 -1.523 1.00 0.00 H new ATOM 0 HZ PHE A 162 -14.021 0.558 -2.476 1.00 0.00 H new ATOM 138 N LEU A 163 -7.496 3.522 -6.039 1.00 0.00 N ATOM 139 CA LEU A 163 -6.746 2.730 -6.991 1.00 0.00 C ATOM 140 C LEU A 163 -6.398 1.422 -6.316 1.00 0.00 C ATOM 141 O LEU A 163 -6.396 0.357 -6.932 1.00 0.00 O ATOM 142 CB LEU A 163 -5.473 3.462 -7.420 1.00 0.00 C ATOM 143 CG LEU A 163 -4.720 2.829 -8.591 1.00 0.00 C ATOM 144 CD1 LEU A 163 -5.296 3.302 -9.917 1.00 0.00 C ATOM 145 CD2 LEU A 163 -3.235 3.154 -8.507 1.00 0.00 C ATOM 0 H LEU A 163 -7.029 4.373 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 163 -7.339 2.555 -7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -5.735 4.486 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -4.800 3.519 -6.564 1.00 0.00 H new ATOM 0 HG LEU A 163 -4.840 1.747 -8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -4.747 2.840 -10.738 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -6.347 3.019 -9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -5.208 4.386 -9.986 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -2.714 2.696 -9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -3.097 4.235 -8.540 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -2.830 2.764 -7.573 1.00 0.00 H new ATOM 157 N PHE A 164 -6.128 1.526 -5.017 1.00 0.00 N ATOM 158 CA PHE A 164 -5.801 0.371 -4.199 1.00 0.00 C ATOM 159 C PHE A 164 -4.644 -0.436 -4.787 1.00 0.00 C ATOM 160 O PHE A 164 -4.329 -1.521 -4.300 1.00 0.00 O ATOM 161 CB PHE A 164 -7.040 -0.511 -4.040 1.00 0.00 C ATOM 162 CG PHE A 164 -7.154 -1.139 -2.681 1.00 0.00 C ATOM 163 CD1 PHE A 164 -6.484 -2.317 -2.391 1.00 0.00 C ATOM 164 CD2 PHE A 164 -7.927 -0.550 -1.695 1.00 0.00 C ATOM 165 CE1 PHE A 164 -6.584 -2.896 -1.141 1.00 0.00 C ATOM 166 CE2 PHE A 164 -8.031 -1.125 -0.441 1.00 0.00 C ATOM 167 CZ PHE A 164 -7.358 -2.299 -0.165 1.00 0.00 C ATOM 0 H PHE A 164 -6.131 2.410 -4.508 1.00 0.00 H new ATOM 0 HA PHE A 164 -5.479 0.730 -3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 164 -7.930 0.088 -4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 164 -7.017 -1.297 -4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 164 -5.877 -2.787 -3.151 1.00 0.00 H new ATOM 0 HD2 PHE A 164 -8.455 0.368 -1.907 1.00 0.00 H new ATOM 0 HE1 PHE A 164 -6.058 -3.814 -0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 164 -8.637 -0.657 0.320 1.00 0.00 H new ATOM 0 HZ PHE A 164 -7.437 -2.750 0.813 1.00 0.00 H new ATOM 177 N LEU A 165 -4.004 0.099 -5.826 1.00 0.00 N ATOM 178 CA LEU A 165 -2.881 -0.586 -6.449 1.00 0.00 C ATOM 179 C LEU A 165 -1.679 -0.573 -5.524 1.00 0.00 C ATOM 180 O LEU A 165 -1.112 -1.618 -5.206 1.00 0.00 O ATOM 181 CB LEU A 165 -2.512 0.065 -7.781 1.00 0.00 C ATOM 182 CG LEU A 165 -2.343 -0.907 -8.950 1.00 0.00 C ATOM 183 CD1 LEU A 165 -3.565 -1.802 -9.085 1.00 0.00 C ATOM 184 CD2 LEU A 165 -2.094 -0.145 -10.243 1.00 0.00 C ATOM 0 H LEU A 165 -4.244 0.996 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 165 -3.180 -1.617 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -3.283 0.790 -8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -1.583 0.620 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 165 -1.478 -1.539 -8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -3.425 -2.486 -9.922 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -3.700 -2.375 -8.167 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -4.448 -1.188 -9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -1.976 -0.851 -11.065 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -2.940 0.511 -10.447 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -1.187 0.452 -10.145 1.00 0.00 H new ATOM 196 N LEU A 166 -1.291 0.624 -5.102 1.00 0.00 N ATOM 197 CA LEU A 166 -0.147 0.771 -4.220 1.00 0.00 C ATOM 198 C LEU A 166 -0.145 2.121 -3.498 1.00 0.00 C ATOM 199 O LEU A 166 0.881 2.801 -3.454 1.00 0.00 O ATOM 200 CB LEU A 166 1.141 0.606 -5.029 1.00 0.00 C ATOM 201 CG LEU A 166 2.166 -0.354 -4.425 1.00 0.00 C ATOM 202 CD1 LEU A 166 2.680 0.182 -3.096 1.00 0.00 C ATOM 203 CD2 LEU A 166 1.557 -1.735 -4.245 1.00 0.00 C ATOM 0 H LEU A 166 -1.750 1.499 -5.355 1.00 0.00 H new ATOM 0 HA LEU A 166 -0.211 -0.003 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 166 0.882 0.255 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 166 1.607 1.585 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 166 3.009 -0.436 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 166 3.409 -0.514 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 166 3.153 1.151 -3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 166 1.847 0.293 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 166 2.299 -2.407 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 166 0.697 -1.669 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 166 1.237 -2.121 -5.213 1.00 0.00 H new ATOM 215 N PRO A 167 -1.282 2.536 -2.905 1.00 0.00 N ATOM 216 CA PRO A 167 -1.349 3.808 -2.184 1.00 0.00 C ATOM 217 C PRO A 167 -0.354 3.854 -1.026 1.00 0.00 C ATOM 218 O PRO A 167 0.411 4.809 -0.895 1.00 0.00 O ATOM 219 CB PRO A 167 -2.790 3.876 -1.661 1.00 0.00 C ATOM 220 CG PRO A 167 -3.553 2.866 -2.452 1.00 0.00 C ATOM 221 CD PRO A 167 -2.567 1.811 -2.873 1.00 0.00 C ATOM 0 HA PRO A 167 -1.093 4.650 -2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 167 -2.831 3.651 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 167 -3.208 4.874 -1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 167 -4.354 2.431 -1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 167 -4.020 3.328 -3.322 1.00 0.00 H new ATOM 0 HD2 PRO A 167 -2.542 0.980 -2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 167 -2.817 1.394 -3.848 1.00 0.00 H new ATOM 229 N PRO A 168 -0.348 2.815 -0.167 1.00 0.00 N ATOM 230 CA PRO A 168 0.548 2.732 0.976 1.00 0.00 C ATOM 231 C PRO A 168 1.821 1.952 0.661 1.00 0.00 C ATOM 232 O PRO A 168 1.833 0.723 0.703 1.00 0.00 O ATOM 233 CB PRO A 168 -0.312 1.968 1.970 1.00 0.00 C ATOM 234 CG PRO A 168 -1.043 0.981 1.124 1.00 0.00 C ATOM 235 CD PRO A 168 -1.220 1.628 -0.230 1.00 0.00 C ATOM 0 HA PRO A 168 0.901 3.704 1.320 1.00 0.00 H new ATOM 0 HB2 PRO A 168 0.296 1.473 2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 168 -0.999 2.630 2.496 1.00 0.00 H new ATOM 0 HG2 PRO A 168 -0.481 0.051 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 168 -2.008 0.732 1.564 1.00 0.00 H new ATOM 0 HD2 PRO A 168 -0.925 0.957 -1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 168 -2.259 1.904 -0.409 1.00 0.00 H new ATOM 243 N ILE A 169 2.889 2.668 0.341 1.00 0.00 N ATOM 244 CA ILE A 169 4.164 2.034 0.017 1.00 0.00 C ATOM 245 C ILE A 169 4.868 1.532 1.272 1.00 0.00 C ATOM 246 O ILE A 169 5.414 0.432 1.300 1.00 0.00 O ATOM 247 CB ILE A 169 5.101 3.017 -0.726 1.00 0.00 C ATOM 248 CG1 ILE A 169 6.183 2.250 -1.492 1.00 0.00 C ATOM 249 CG2 ILE A 169 5.735 4.017 0.242 1.00 0.00 C ATOM 250 CD1 ILE A 169 7.172 1.530 -0.599 1.00 0.00 C ATOM 0 H ILE A 169 2.901 3.687 0.298 1.00 0.00 H new ATOM 0 HA ILE A 169 3.942 1.186 -0.631 1.00 0.00 H new ATOM 0 HB ILE A 169 4.500 3.579 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 169 5.704 1.523 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 169 6.725 2.947 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 169 6.388 4.694 -0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 169 4.952 4.591 0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 169 6.318 3.480 0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 169 7.907 1.010 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 169 7.680 2.253 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 169 6.642 0.807 0.022 1.00 0.00 H new ATOM 262 N ILE A 170 4.874 2.381 2.285 1.00 0.00 N ATOM 263 CA ILE A 170 5.532 2.100 3.551 1.00 0.00 C ATOM 264 C ILE A 170 4.715 1.181 4.456 1.00 0.00 C ATOM 265 O ILE A 170 5.255 0.245 5.046 1.00 0.00 O ATOM 266 CB ILE A 170 5.843 3.408 4.286 1.00 0.00 C ATOM 267 CG1 ILE A 170 4.540 4.158 4.565 1.00 0.00 C ATOM 268 CG2 ILE A 170 6.810 4.250 3.465 1.00 0.00 C ATOM 269 CD1 ILE A 170 4.674 5.667 4.607 1.00 0.00 C ATOM 0 H ILE A 170 4.419 3.293 2.252 1.00 0.00 H new ATOM 0 HA ILE A 170 6.457 1.575 3.313 1.00 0.00 H new ATOM 0 HB ILE A 170 6.322 3.191 5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 170 3.813 3.893 3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 170 4.137 3.816 5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 170 7.025 5.178 3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 170 7.736 3.696 3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 170 6.362 4.480 2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 170 3.701 6.113 4.810 1.00 0.00 H new ATOM 0 HD12 ILE A 170 5.374 5.948 5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 170 5.044 6.026 3.647 1.00 0.00 H new ATOM 281 N LEU A 171 3.416 1.442 4.573 1.00 0.00 N ATOM 282 CA LEU A 171 2.560 0.616 5.418 1.00 0.00 C ATOM 283 C LEU A 171 2.495 -0.799 4.863 1.00 0.00 C ATOM 284 O LEU A 171 2.861 -1.761 5.539 1.00 0.00 O ATOM 285 CB LEU A 171 1.153 1.215 5.520 1.00 0.00 C ATOM 286 CG LEU A 171 0.124 0.356 6.267 1.00 0.00 C ATOM 287 CD1 LEU A 171 -0.439 -0.723 5.355 1.00 0.00 C ATOM 288 CD2 LEU A 171 0.741 -0.267 7.511 1.00 0.00 C ATOM 0 H LEU A 171 2.938 2.209 4.100 1.00 0.00 H new ATOM 0 HA LEU A 171 2.987 0.585 6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 171 1.224 2.182 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 171 0.782 1.402 4.512 1.00 0.00 H new ATOM 0 HG LEU A 171 -0.695 1.004 6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -1.166 -1.321 5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -0.925 -0.258 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 171 0.371 -1.365 5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -0.007 -0.871 8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 171 1.582 -0.898 7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 171 1.090 0.521 8.178 1.00 0.00 H new ATOM 300 N ASP A 172 2.050 -0.916 3.618 1.00 0.00 N ATOM 301 CA ASP A 172 1.960 -2.210 2.955 1.00 0.00 C ATOM 302 C ASP A 172 3.345 -2.722 2.553 1.00 0.00 C ATOM 303 O ASP A 172 3.461 -3.767 1.913 1.00 0.00 O ATOM 304 CB ASP A 172 1.057 -2.122 1.724 1.00 0.00 C ATOM 305 CG ASP A 172 -0.341 -2.647 1.993 1.00 0.00 C ATOM 306 OD1 ASP A 172 -0.460 -3.733 2.599 1.00 0.00 O ATOM 307 OD2 ASP A 172 -1.315 -1.971 1.601 1.00 0.00 O ATOM 0 H ASP A 172 1.745 -0.128 3.046 1.00 0.00 H new ATOM 0 HA ASP A 172 1.525 -2.916 3.663 1.00 0.00 H new ATOM 0 HB2 ASP A 172 0.995 -1.085 1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 172 1.504 -2.689 0.908 1.00 0.00 H new ATOM 312 N ALA A 173 4.398 -1.996 2.940 1.00 0.00 N ATOM 313 CA ALA A 173 5.755 -2.411 2.619 1.00 0.00 C ATOM 314 C ALA A 173 6.120 -3.616 3.472 1.00 0.00 C ATOM 315 O ALA A 173 6.462 -4.682 2.961 1.00 0.00 O ATOM 316 CB ALA A 173 6.739 -1.275 2.862 1.00 0.00 C ATOM 0 H ALA A 173 4.332 -1.127 3.471 1.00 0.00 H new ATOM 0 HA ALA A 173 5.807 -2.679 1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 173 7.747 -1.608 2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 173 6.474 -0.424 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 173 6.701 -0.979 3.910 1.00 0.00 H new ATOM 322 N GLY A 174 6.010 -3.432 4.781 1.00 0.00 N ATOM 323 CA GLY A 174 6.291 -4.498 5.722 1.00 0.00 C ATOM 324 C GLY A 174 5.212 -4.601 6.788 1.00 0.00 C ATOM 325 O GLY A 174 5.301 -5.432 7.693 1.00 0.00 O ATOM 0 H GLY A 174 5.727 -2.552 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 174 6.367 -5.445 5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 174 7.256 -4.321 6.196 1.00 0.00 H new ATOM 329 N TYR A 175 4.185 -3.754 6.674 1.00 0.00 N ATOM 330 CA TYR A 175 3.072 -3.738 7.618 1.00 0.00 C ATOM 331 C TYR A 175 3.495 -3.196 8.982 1.00 0.00 C ATOM 332 O TYR A 175 2.914 -2.233 9.482 1.00 0.00 O ATOM 333 CB TYR A 175 2.479 -5.141 7.770 1.00 0.00 C ATOM 334 CG TYR A 175 0.970 -5.173 7.664 1.00 0.00 C ATOM 335 CD1 TYR A 175 0.176 -4.515 8.594 1.00 0.00 C ATOM 336 CD2 TYR A 175 0.343 -5.858 6.633 1.00 0.00 C ATOM 337 CE1 TYR A 175 -1.203 -4.540 8.500 1.00 0.00 C ATOM 338 CE2 TYR A 175 -1.036 -5.889 6.530 1.00 0.00 C ATOM 339 CZ TYR A 175 -1.804 -5.227 7.467 1.00 0.00 C ATOM 340 OH TYR A 175 -3.177 -5.256 7.371 1.00 0.00 O ATOM 0 H TYR A 175 4.105 -3.064 5.927 1.00 0.00 H new ATOM 0 HA TYR A 175 2.311 -3.070 7.215 1.00 0.00 H new ATOM 0 HB2 TYR A 175 2.903 -5.791 7.005 1.00 0.00 H new ATOM 0 HB3 TYR A 175 2.776 -5.550 8.736 1.00 0.00 H new ATOM 0 HD1 TYR A 175 0.643 -3.975 9.404 1.00 0.00 H new ATOM 0 HD2 TYR A 175 0.942 -6.376 5.898 1.00 0.00 H new ATOM 0 HE1 TYR A 175 -1.806 -4.024 9.232 1.00 0.00 H new ATOM 0 HE2 TYR A 175 -1.509 -6.427 5.722 1.00 0.00 H new ATOM 0 HH TYR A 175 -3.439 -5.782 6.586 1.00 0.00 H new ATOM 350 N PHE A 176 4.501 -3.820 9.588 1.00 0.00 N ATOM 351 CA PHE A 176 4.982 -3.392 10.897 1.00 0.00 C ATOM 352 C PHE A 176 6.173 -2.438 10.776 1.00 0.00 C ATOM 353 O PHE A 176 6.582 -1.819 11.757 1.00 0.00 O ATOM 354 CB PHE A 176 5.348 -4.615 11.753 1.00 0.00 C ATOM 355 CG PHE A 176 6.822 -4.915 11.816 1.00 0.00 C ATOM 356 CD1 PHE A 176 7.463 -5.538 10.757 1.00 0.00 C ATOM 357 CD2 PHE A 176 7.563 -4.574 12.936 1.00 0.00 C ATOM 358 CE1 PHE A 176 8.815 -5.817 10.815 1.00 0.00 C ATOM 359 CE2 PHE A 176 8.916 -4.849 13.000 1.00 0.00 C ATOM 360 CZ PHE A 176 9.543 -5.472 11.938 1.00 0.00 C ATOM 0 H PHE A 176 4.997 -4.620 9.195 1.00 0.00 H new ATOM 0 HA PHE A 176 4.177 -2.846 11.389 1.00 0.00 H new ATOM 0 HB2 PHE A 176 4.979 -4.457 12.766 1.00 0.00 H new ATOM 0 HB3 PHE A 176 4.829 -5.488 11.357 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.899 -5.809 9.876 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.078 -4.087 13.769 1.00 0.00 H new ATOM 0 HE1 PHE A 176 9.302 -6.304 9.984 1.00 0.00 H new ATOM 0 HE2 PHE A 176 9.482 -4.577 13.879 1.00 0.00 H new ATOM 0 HZ PHE A 176 10.600 -5.689 11.985 1.00 0.00 H new ATOM 370 N LEU A 177 6.722 -2.319 9.568 1.00 0.00 N ATOM 371 CA LEU A 177 7.860 -1.436 9.331 1.00 0.00 C ATOM 372 C LEU A 177 7.577 -0.012 9.817 1.00 0.00 C ATOM 373 O LEU A 177 8.446 0.623 10.413 1.00 0.00 O ATOM 374 CB LEU A 177 8.218 -1.416 7.844 1.00 0.00 C ATOM 375 CG LEU A 177 8.895 -2.684 7.325 1.00 0.00 C ATOM 376 CD1 LEU A 177 9.020 -2.638 5.810 1.00 0.00 C ATOM 377 CD2 LEU A 177 10.262 -2.862 7.970 1.00 0.00 C ATOM 0 H LEU A 177 6.398 -2.822 8.742 1.00 0.00 H new ATOM 0 HA LEU A 177 8.704 -1.827 9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 177 7.308 -1.247 7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 177 8.876 -0.568 7.656 1.00 0.00 H new ATOM 0 HG LEU A 177 8.276 -3.540 7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 177 9.504 -3.549 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 177 8.028 -2.559 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 177 9.618 -1.774 5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 177 10.729 -3.770 7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 177 10.891 -2.004 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 177 10.147 -2.940 9.051 1.00 0.00 H new ATOM 389 N PRO A 178 6.359 0.513 9.565 1.00 0.00 N ATOM 390 CA PRO A 178 5.980 1.870 9.982 1.00 0.00 C ATOM 391 C PRO A 178 6.010 2.045 11.499 1.00 0.00 C ATOM 392 O PRO A 178 4.971 2.216 12.138 1.00 0.00 O ATOM 393 CB PRO A 178 4.546 2.027 9.454 1.00 0.00 C ATOM 394 CG PRO A 178 4.404 0.982 8.403 1.00 0.00 C ATOM 395 CD PRO A 178 5.263 -0.162 8.851 1.00 0.00 C ATOM 0 HA PRO A 178 6.673 2.617 9.595 1.00 0.00 H new ATOM 0 HB2 PRO A 178 3.815 1.887 10.250 1.00 0.00 H new ATOM 0 HB3 PRO A 178 4.384 3.024 9.044 1.00 0.00 H new ATOM 0 HG2 PRO A 178 3.364 0.673 8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 178 4.726 1.357 7.432 1.00 0.00 H new ATOM 0 HD2 PRO A 178 4.718 -0.847 9.501 1.00 0.00 H new ATOM 0 HD3 PRO A 178 5.630 -0.747 8.008 1.00 0.00 H new ATOM 403 N LEU A 179 7.210 2.005 12.066 1.00 0.00 N ATOM 404 CA LEU A 179 7.387 2.164 13.505 1.00 0.00 C ATOM 405 C LEU A 179 8.437 3.229 13.795 1.00 0.00 C ATOM 406 O LEU A 179 8.130 4.290 14.337 1.00 0.00 O ATOM 407 CB LEU A 179 7.800 0.834 14.140 1.00 0.00 C ATOM 408 CG LEU A 179 7.144 0.528 15.489 1.00 0.00 C ATOM 409 CD1 LEU A 179 7.371 1.674 16.463 1.00 0.00 C ATOM 410 CD2 LEU A 179 5.656 0.266 15.310 1.00 0.00 C ATOM 0 H LEU A 179 8.078 1.863 11.549 1.00 0.00 H new ATOM 0 HA LEU A 179 6.438 2.480 13.937 1.00 0.00 H new ATOM 0 HB2 LEU A 179 7.561 0.028 13.446 1.00 0.00 H new ATOM 0 HB3 LEU A 179 8.882 0.832 14.271 1.00 0.00 H new ATOM 0 HG LEU A 179 7.604 -0.370 15.901 1.00 0.00 H new ATOM 0 HD11 LEU A 179 6.898 1.440 17.417 1.00 0.00 H new ATOM 0 HD12 LEU A 179 8.441 1.817 16.614 1.00 0.00 H new ATOM 0 HD13 LEU A 179 6.937 2.588 16.057 1.00 0.00 H new ATOM 0 HD21 LEU A 179 5.205 0.050 16.279 1.00 0.00 H new ATOM 0 HD22 LEU A 179 5.181 1.146 14.877 1.00 0.00 H new ATOM 0 HD23 LEU A 179 5.514 -0.587 14.646 1.00 0.00 H new ATOM 422 N ARG A 180 9.679 2.940 13.420 1.00 0.00 N ATOM 423 CA ARG A 180 10.777 3.874 13.627 1.00 0.00 C ATOM 424 C ARG A 180 10.887 4.831 12.446 1.00 0.00 C ATOM 425 O ARG A 180 11.943 5.416 12.201 1.00 0.00 O ATOM 426 CB ARG A 180 12.096 3.119 13.811 1.00 0.00 C ATOM 427 CG ARG A 180 11.959 1.835 14.614 1.00 0.00 C ATOM 428 CD ARG A 180 11.341 2.092 15.979 1.00 0.00 C ATOM 429 NE ARG A 180 10.732 0.888 16.538 1.00 0.00 N ATOM 430 CZ ARG A 180 11.427 -0.115 17.072 1.00 0.00 C ATOM 431 NH1 ARG A 180 12.752 -0.062 17.118 1.00 0.00 N ATOM 432 NH2 ARG A 180 10.794 -1.173 17.558 1.00 0.00 N ATOM 0 H ARG A 180 9.949 2.065 12.971 1.00 0.00 H new ATOM 0 HA ARG A 180 10.573 4.448 14.531 1.00 0.00 H new ATOM 0 HB2 ARG A 180 12.508 2.881 12.830 1.00 0.00 H new ATOM 0 HB3 ARG A 180 12.812 3.773 14.308 1.00 0.00 H new ATOM 0 HG2 ARG A 180 11.343 1.125 14.063 1.00 0.00 H new ATOM 0 HG3 ARG A 180 12.940 1.377 14.739 1.00 0.00 H new ATOM 0 HD2 ARG A 180 12.107 2.461 16.661 1.00 0.00 H new ATOM 0 HD3 ARG A 180 10.587 2.874 15.894 1.00 0.00 H new ATOM 0 HE ARG A 180 9.715 0.811 16.518 1.00 0.00 H new ATOM 0 HH11 ARG A 180 13.243 0.750 16.743 1.00 0.00 H new ATOM 0 HH12 ARG A 180 13.279 -0.833 17.528 1.00 0.00 H new ATOM 0 HH21 ARG A 180 9.776 -1.219 17.523 1.00 0.00 H new ATOM 0 HH22 ARG A 180 11.325 -1.942 17.967 1.00 0.00 H new HETATM 446 N HSL A 181 9.732 4.976 11.699 1.00 0.00 N HETATM 447 CA HSL A 181 9.662 5.845 10.542 1.00 0.00 C HETATM 448 C HSL A 181 8.645 6.964 10.725 1.00 0.00 C HETATM 449 O HSL A 181 8.431 7.601 11.729 1.00 0.00 O HETATM 450 CB HSL A 181 9.183 5.154 9.275 1.00 0.00 C HETATM 451 CG HSL A 181 8.442 6.275 8.564 1.00 0.00 C HETATM 452 OD HSL A 181 7.994 7.151 9.566 1.00 0.00 O HETATM 0 HG3 HSL A 181 9.098 6.790 7.862 1.00 0.00 H new HETATM 0 HG2 HSL A 181 7.604 5.883 7.988 1.00 0.00 H new HETATM 0 HB3 HSL A 181 10.013 4.772 8.680 1.00 0.00 H new HETATM 0 HB2 HSL A 181 8.531 4.308 9.493 1.00 0.00 H new HETATM 0 HA HSL A 181 10.689 6.196 10.448 1.00 0.00 H new TER 459 HSL A 181