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 -138:sc= -0.872 USER MOD Single : A 175 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 155 3.759 9.795 3.271 1.00 0.00 N ATOM 2 CA PHE A 155 3.528 11.208 3.673 1.00 0.00 C ATOM 3 C PHE A 155 4.389 12.163 2.851 1.00 0.00 C ATOM 4 O PHE A 155 3.899 12.824 1.935 1.00 0.00 O ATOM 5 CB PHE A 155 3.850 11.351 5.165 1.00 0.00 C ATOM 6 CG PHE A 155 2.951 10.541 6.055 1.00 0.00 C ATOM 7 CD1 PHE A 155 1.651 10.951 6.306 1.00 0.00 C ATOM 8 CD2 PHE A 155 3.406 9.370 6.640 1.00 0.00 C ATOM 9 CE1 PHE A 155 0.822 10.207 7.126 1.00 0.00 C ATOM 10 CE2 PHE A 155 2.581 8.623 7.460 1.00 0.00 C ATOM 11 CZ PHE A 155 1.288 9.042 7.703 1.00 0.00 C ATOM 0 HA PHE A 155 2.485 11.467 3.489 1.00 0.00 H new ATOM 0 HB2 PHE A 155 4.883 11.049 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 155 3.774 12.402 5.445 1.00 0.00 H new ATOM 0 HD1 PHE A 155 1.281 11.861 5.857 1.00 0.00 H new ATOM 0 HD2 PHE A 155 4.416 9.037 6.453 1.00 0.00 H new ATOM 0 HE1 PHE A 155 -0.189 10.537 7.315 1.00 0.00 H new ATOM 0 HE2 PHE A 155 2.948 7.712 7.910 1.00 0.00 H new ATOM 0 HZ PHE A 155 0.642 8.460 8.343 1.00 0.00 H new ATOM 23 N LEU A 156 5.673 12.233 3.187 1.00 0.00 N ATOM 24 CA LEU A 156 6.602 13.101 2.490 1.00 0.00 C ATOM 25 C LEU A 156 8.042 12.732 2.834 1.00 0.00 C ATOM 26 O LEU A 156 8.756 13.501 3.477 1.00 0.00 O ATOM 27 CB LEU A 156 6.323 14.555 2.860 1.00 0.00 C ATOM 28 CG LEU A 156 6.471 14.886 4.344 1.00 0.00 C ATOM 29 CD1 LEU A 156 7.701 15.749 4.586 1.00 0.00 C ATOM 30 CD2 LEU A 156 5.220 15.580 4.865 1.00 0.00 C ATOM 0 H LEU A 156 6.092 11.693 3.944 1.00 0.00 H new ATOM 0 HA LEU A 156 6.466 12.974 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 156 6.999 15.194 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 156 5.309 14.805 2.547 1.00 0.00 H new ATOM 0 HG LEU A 156 6.599 13.951 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 156 7.786 15.972 5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 156 8.591 15.214 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 156 7.608 16.680 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 156 5.344 15.808 5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 156 5.060 16.505 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 156 4.359 14.925 4.734 1.00 0.00 H new ATOM 42 N GLN A 157 8.460 11.545 2.407 1.00 0.00 N ATOM 43 CA GLN A 157 9.819 11.075 2.682 1.00 0.00 C ATOM 44 C GLN A 157 10.162 9.766 1.955 1.00 0.00 C ATOM 45 O GLN A 157 11.339 9.438 1.800 1.00 0.00 O ATOM 46 CB GLN A 157 10.013 10.891 4.189 1.00 0.00 C ATOM 47 CG GLN A 157 8.864 10.165 4.867 1.00 0.00 C ATOM 48 CD GLN A 157 8.884 10.324 6.374 1.00 0.00 C ATOM 49 OE1 GLN A 157 7.936 10.838 6.968 1.00 0.00 O ATOM 50 NE2 GLN A 157 9.968 9.885 7.002 1.00 0.00 N ATOM 0 H GLN A 157 7.885 10.893 1.873 1.00 0.00 H new ATOM 0 HA GLN A 157 10.497 11.839 2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 157 10.935 10.336 4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 157 10.137 11.870 4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 157 7.919 10.544 4.478 1.00 0.00 H new ATOM 0 HG3 GLN A 157 8.910 9.105 4.616 1.00 0.00 H new ATOM 0 HE21 GLN A 157 10.731 9.465 6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 157 10.038 9.967 8.016 1.00 0.00 H new ATOM 59 N SER A 158 9.152 9.007 1.528 1.00 0.00 N ATOM 60 CA SER A 158 9.393 7.739 0.847 1.00 0.00 C ATOM 61 C SER A 158 10.001 7.949 -0.526 1.00 0.00 C ATOM 62 O SER A 158 10.875 7.197 -0.959 1.00 0.00 O ATOM 63 CB SER A 158 8.092 6.944 0.728 1.00 0.00 C ATOM 64 OG SER A 158 8.202 5.929 -0.254 1.00 0.00 O ATOM 0 H SER A 158 8.167 9.248 1.641 1.00 0.00 H new ATOM 0 HA SER A 158 10.106 7.173 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 158 7.846 6.497 1.691 1.00 0.00 H new ATOM 0 HB3 SER A 158 7.274 7.616 0.470 1.00 0.00 H new ATOM 0 HG SER A 158 7.378 5.896 -0.784 1.00 0.00 H new ATOM 70 N ASP A 159 9.536 8.974 -1.195 1.00 0.00 N ATOM 71 CA ASP A 159 10.018 9.313 -2.521 1.00 0.00 C ATOM 72 C ASP A 159 9.508 10.684 -2.909 1.00 0.00 C ATOM 73 O ASP A 159 10.206 11.467 -3.552 1.00 0.00 O ATOM 74 CB ASP A 159 9.557 8.269 -3.542 1.00 0.00 C ATOM 75 CG ASP A 159 10.581 7.172 -3.751 1.00 0.00 C ATOM 76 OD1 ASP A 159 11.756 7.377 -3.381 1.00 0.00 O ATOM 77 OD2 ASP A 159 10.208 6.107 -4.288 1.00 0.00 O ATOM 0 H ASP A 159 8.813 9.600 -0.841 1.00 0.00 H new ATOM 0 HA ASP A 159 11.108 9.324 -2.511 1.00 0.00 H new ATOM 0 HB2 ASP A 159 8.619 7.827 -3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 159 9.356 8.760 -4.494 1.00 0.00 H new ATOM 82 N VAL A 160 8.275 10.961 -2.502 1.00 0.00 N ATOM 83 CA VAL A 160 7.629 12.241 -2.791 1.00 0.00 C ATOM 84 C VAL A 160 7.335 12.398 -4.289 1.00 0.00 C ATOM 85 O VAL A 160 6.213 12.718 -4.679 1.00 0.00 O ATOM 86 CB VAL A 160 8.477 13.435 -2.270 1.00 0.00 C ATOM 87 CG1 VAL A 160 9.108 14.237 -3.406 1.00 0.00 C ATOM 88 CG2 VAL A 160 7.632 14.340 -1.387 1.00 0.00 C ATOM 0 H VAL A 160 7.697 10.313 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 160 6.677 12.247 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 160 9.292 13.018 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 160 9.690 15.060 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 160 9.761 13.589 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 160 8.324 14.636 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 160 8.240 15.171 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 160 6.791 14.727 -1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 160 7.259 13.772 -0.535 1.00 0.00 H new ATOM 98 N PHE A 161 8.349 12.157 -5.121 1.00 0.00 N ATOM 99 CA PHE A 161 8.205 12.257 -6.568 1.00 0.00 C ATOM 100 C PHE A 161 7.384 11.093 -7.116 1.00 0.00 C ATOM 101 O PHE A 161 7.155 10.997 -8.321 1.00 0.00 O ATOM 102 CB PHE A 161 9.580 12.291 -7.239 1.00 0.00 C ATOM 103 CG PHE A 161 9.973 13.656 -7.731 1.00 0.00 C ATOM 104 CD1 PHE A 161 10.201 14.688 -6.835 1.00 0.00 C ATOM 105 CD2 PHE A 161 10.111 13.906 -9.086 1.00 0.00 C ATOM 106 CE1 PHE A 161 10.562 15.945 -7.283 1.00 0.00 C ATOM 107 CE2 PHE A 161 10.471 15.161 -9.540 1.00 0.00 C ATOM 108 CZ PHE A 161 10.696 16.182 -8.637 1.00 0.00 C ATOM 0 H PHE A 161 9.283 11.890 -4.812 1.00 0.00 H new ATOM 0 HA PHE A 161 7.678 13.185 -6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 161 10.330 11.939 -6.531 1.00 0.00 H new ATOM 0 HB3 PHE A 161 9.583 11.596 -8.079 1.00 0.00 H new ATOM 0 HD1 PHE A 161 10.096 14.508 -5.775 1.00 0.00 H new ATOM 0 HD2 PHE A 161 9.935 13.111 -9.796 1.00 0.00 H new ATOM 0 HE1 PHE A 161 10.739 16.741 -6.575 1.00 0.00 H new ATOM 0 HE2 PHE A 161 10.576 15.343 -10.599 1.00 0.00 H new ATOM 0 HZ PHE A 161 10.976 17.164 -8.989 1.00 0.00 H new ATOM 118 N PHE A 162 6.943 10.211 -6.223 1.00 0.00 N ATOM 119 CA PHE A 162 6.150 9.056 -6.611 1.00 0.00 C ATOM 120 C PHE A 162 5.357 8.508 -5.427 1.00 0.00 C ATOM 121 O PHE A 162 4.763 7.434 -5.516 1.00 0.00 O ATOM 122 CB PHE A 162 7.036 7.953 -7.178 1.00 0.00 C ATOM 123 CG PHE A 162 8.023 8.434 -8.203 1.00 0.00 C ATOM 124 CD1 PHE A 162 7.664 8.536 -9.537 1.00 0.00 C ATOM 125 CD2 PHE A 162 9.311 8.786 -7.830 1.00 0.00 C ATOM 126 CE1 PHE A 162 8.570 8.981 -10.481 1.00 0.00 C ATOM 127 CE2 PHE A 162 10.222 9.230 -8.770 1.00 0.00 C ATOM 128 CZ PHE A 162 9.851 9.328 -10.097 1.00 0.00 C ATOM 0 H PHE A 162 7.124 10.278 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 162 5.453 9.387 -7.381 1.00 0.00 H new ATOM 0 HB2 PHE A 162 7.578 7.479 -6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 162 6.404 7.187 -7.627 1.00 0.00 H new ATOM 0 HD1 PHE A 162 6.664 8.265 -9.843 1.00 0.00 H new ATOM 0 HD2 PHE A 162 9.606 8.713 -6.794 1.00 0.00 H new ATOM 0 HE1 PHE A 162 8.277 9.057 -11.518 1.00 0.00 H new ATOM 0 HE2 PHE A 162 11.223 9.500 -8.467 1.00 0.00 H new ATOM 0 HZ PHE A 162 10.561 9.675 -10.833 1.00 0.00 H new ATOM 138 N LEU A 163 5.306 9.272 -4.335 1.00 0.00 N ATOM 139 CA LEU A 163 4.531 8.871 -3.172 1.00 0.00 C ATOM 140 C LEU A 163 3.049 8.925 -3.528 1.00 0.00 C ATOM 141 O LEU A 163 2.185 8.510 -2.756 1.00 0.00 O ATOM 142 CB LEU A 163 4.824 9.797 -1.991 1.00 0.00 C ATOM 143 CG LEU A 163 4.027 9.503 -0.719 1.00 0.00 C ATOM 144 CD1 LEU A 163 4.380 8.128 -0.173 1.00 0.00 C ATOM 145 CD2 LEU A 163 4.282 10.577 0.327 1.00 0.00 C ATOM 0 H LEU A 163 5.790 10.164 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 163 4.805 7.856 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 163 5.887 9.736 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 163 4.624 10.824 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 163 2.966 9.509 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 163 3.803 7.937 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 163 4.146 7.369 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 163 5.444 8.091 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 163 3.708 10.353 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 163 5.344 10.602 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 163 3.978 11.547 -0.066 1.00 0.00 H new ATOM 157 N PHE A 164 2.781 9.453 -4.720 1.00 0.00 N ATOM 158 CA PHE A 164 1.429 9.596 -5.234 1.00 0.00 C ATOM 159 C PHE A 164 0.872 8.253 -5.704 1.00 0.00 C ATOM 160 O PHE A 164 -0.329 8.002 -5.609 1.00 0.00 O ATOM 161 CB PHE A 164 1.450 10.574 -6.409 1.00 0.00 C ATOM 162 CG PHE A 164 0.351 11.597 -6.371 1.00 0.00 C ATOM 163 CD1 PHE A 164 -0.900 11.309 -6.892 1.00 0.00 C ATOM 164 CD2 PHE A 164 0.570 12.847 -5.816 1.00 0.00 C ATOM 165 CE1 PHE A 164 -1.913 12.249 -6.860 1.00 0.00 C ATOM 166 CE2 PHE A 164 -0.438 13.792 -5.782 1.00 0.00 C ATOM 167 CZ PHE A 164 -1.681 13.492 -6.304 1.00 0.00 C ATOM 0 H PHE A 164 3.502 9.794 -5.356 1.00 0.00 H new ATOM 0 HA PHE A 164 0.788 9.969 -4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 164 2.411 11.088 -6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 164 1.376 10.010 -7.339 1.00 0.00 H new ATOM 0 HD1 PHE A 164 -1.086 10.339 -7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 164 1.540 13.086 -5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 164 -2.884 12.012 -7.269 1.00 0.00 H new ATOM 0 HE2 PHE A 164 -0.254 14.764 -5.348 1.00 0.00 H new ATOM 0 HZ PHE A 164 -2.471 14.228 -6.278 1.00 0.00 H new ATOM 177 N LEU A 165 1.749 7.398 -6.216 1.00 0.00 N ATOM 178 CA LEU A 165 1.340 6.086 -6.704 1.00 0.00 C ATOM 179 C LEU A 165 0.779 5.232 -5.574 1.00 0.00 C ATOM 180 O LEU A 165 -0.157 4.458 -5.774 1.00 0.00 O ATOM 181 CB LEU A 165 2.523 5.362 -7.349 1.00 0.00 C ATOM 182 CG LEU A 165 2.224 4.716 -8.703 1.00 0.00 C ATOM 183 CD1 LEU A 165 3.507 4.521 -9.496 1.00 0.00 C ATOM 184 CD2 LEU A 165 1.506 3.389 -8.512 1.00 0.00 C ATOM 0 H LEU A 165 2.747 7.589 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 165 0.559 6.239 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 165 3.340 6.073 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 165 2.874 4.590 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 165 1.571 5.382 -9.267 1.00 0.00 H new ATOM 0 HD11 LEU A 165 3.275 4.060 -10.456 1.00 0.00 H new ATOM 0 HD12 LEU A 165 3.982 5.488 -9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 165 4.185 3.875 -8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 165 1.301 2.943 -9.485 1.00 0.00 H new ATOM 0 HD22 LEU A 165 2.135 2.716 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 165 0.567 3.556 -7.984 1.00 0.00 H new ATOM 196 N LEU A 166 1.366 5.368 -4.393 1.00 0.00 N ATOM 197 CA LEU A 166 0.937 4.601 -3.238 1.00 0.00 C ATOM 198 C LEU A 166 1.448 5.239 -1.948 1.00 0.00 C ATOM 199 O LEU A 166 2.432 4.781 -1.367 1.00 0.00 O ATOM 200 CB LEU A 166 1.444 3.161 -3.362 1.00 0.00 C ATOM 201 CG LEU A 166 0.370 2.081 -3.218 1.00 0.00 C ATOM 202 CD1 LEU A 166 -0.386 2.249 -1.909 1.00 0.00 C ATOM 203 CD2 LEU A 166 -0.589 2.123 -4.398 1.00 0.00 C ATOM 0 H LEU A 166 2.142 6.005 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 166 -0.152 4.594 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 166 1.927 3.044 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 166 2.209 2.995 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 166 0.861 1.108 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -1.145 1.472 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 166 0.310 2.168 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -0.865 3.228 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -1.346 1.348 -4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -1.072 3.099 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -0.037 1.952 -5.322 1.00 0.00 H new ATOM 215 N PRO A 167 0.783 6.317 -1.484 1.00 0.00 N ATOM 216 CA PRO A 167 1.163 7.026 -0.265 1.00 0.00 C ATOM 217 C PRO A 167 1.629 6.090 0.845 1.00 0.00 C ATOM 218 O PRO A 167 2.670 6.318 1.462 1.00 0.00 O ATOM 219 CB PRO A 167 -0.123 7.760 0.152 1.00 0.00 C ATOM 220 CG PRO A 167 -1.119 7.551 -0.952 1.00 0.00 C ATOM 221 CD PRO A 167 -0.388 6.933 -2.113 1.00 0.00 C ATOM 0 HA PRO A 167 2.008 7.691 -0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 167 -0.503 7.368 1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 167 0.070 8.822 0.303 1.00 0.00 H new ATOM 0 HG2 PRO A 167 -1.928 6.901 -0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 167 -1.571 8.499 -1.245 1.00 0.00 H new ATOM 0 HD2 PRO A 167 -1.003 6.195 -2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 167 -0.101 7.681 -2.852 1.00 0.00 H new ATOM 229 N PRO A 168 0.865 5.024 1.119 1.00 0.00 N ATOM 230 CA PRO A 168 1.200 4.063 2.159 1.00 0.00 C ATOM 231 C PRO A 168 2.059 2.915 1.636 1.00 0.00 C ATOM 232 O PRO A 168 1.651 1.754 1.670 1.00 0.00 O ATOM 233 CB PRO A 168 -0.175 3.571 2.573 1.00 0.00 C ATOM 234 CG PRO A 168 -0.947 3.542 1.296 1.00 0.00 C ATOM 235 CD PRO A 168 -0.402 4.668 0.449 1.00 0.00 C ATOM 0 HA PRO A 168 1.791 4.492 2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 168 -0.124 2.583 3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 168 -0.635 4.238 3.302 1.00 0.00 H new ATOM 0 HG2 PRO A 168 -0.829 2.583 0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 168 -2.013 3.675 1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 168 -0.236 4.351 -0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 168 -1.089 5.513 0.415 1.00 0.00 H new ATOM 243 N ILE A 169 3.252 3.249 1.157 1.00 0.00 N ATOM 244 CA ILE A 169 4.173 2.250 0.630 1.00 0.00 C ATOM 245 C ILE A 169 4.795 1.443 1.762 1.00 0.00 C ATOM 246 O ILE A 169 4.934 0.228 1.672 1.00 0.00 O ATOM 247 CB ILE A 169 5.290 2.909 -0.208 1.00 0.00 C ATOM 248 CG1 ILE A 169 5.895 1.893 -1.180 1.00 0.00 C ATOM 249 CG2 ILE A 169 6.369 3.510 0.686 1.00 0.00 C ATOM 250 CD1 ILE A 169 5.345 1.999 -2.585 1.00 0.00 C ATOM 0 H ILE A 169 3.604 4.206 1.123 1.00 0.00 H new ATOM 0 HA ILE A 169 3.600 1.583 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 169 4.847 3.721 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 169 6.976 2.031 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 169 5.712 0.887 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 169 7.142 3.967 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 169 5.926 4.268 1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 169 6.812 2.725 1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 169 5.819 1.249 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 169 4.268 1.832 -2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 169 5.551 2.993 -2.983 1.00 0.00 H new ATOM 262 N ILE A 170 5.160 2.147 2.823 1.00 0.00 N ATOM 263 CA ILE A 170 5.772 1.536 3.996 1.00 0.00 C ATOM 264 C ILE A 170 4.763 0.677 4.747 1.00 0.00 C ATOM 265 O ILE A 170 5.102 -0.386 5.265 1.00 0.00 O ATOM 266 CB ILE A 170 6.334 2.601 4.958 1.00 0.00 C ATOM 267 CG1 ILE A 170 7.166 3.630 4.187 1.00 0.00 C ATOM 268 CG2 ILE A 170 7.166 1.943 6.047 1.00 0.00 C ATOM 269 CD1 ILE A 170 6.459 4.953 3.992 1.00 0.00 C ATOM 0 H ILE A 170 5.041 3.157 2.896 1.00 0.00 H new ATOM 0 HA ILE A 170 6.592 0.912 3.639 1.00 0.00 H new ATOM 0 HB ILE A 170 5.500 3.120 5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 170 8.101 3.802 4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 170 7.426 3.218 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 170 7.556 2.708 6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 170 6.543 1.248 6.611 1.00 0.00 H new ATOM 0 HG23 ILE A 170 7.996 1.401 5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 170 7.106 5.633 3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 170 5.537 4.794 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 170 6.223 5.386 4.964 1.00 0.00 H new ATOM 281 N LEU A 171 3.514 1.129 4.780 1.00 0.00 N ATOM 282 CA LEU A 171 2.459 0.374 5.443 1.00 0.00 C ATOM 283 C LEU A 171 2.243 -0.926 4.688 1.00 0.00 C ATOM 284 O LEU A 171 2.316 -2.016 5.253 1.00 0.00 O ATOM 285 CB LEU A 171 1.160 1.184 5.486 1.00 0.00 C ATOM 286 CG LEU A 171 1.076 2.216 6.612 1.00 0.00 C ATOM 287 CD1 LEU A 171 2.125 3.299 6.425 1.00 0.00 C ATOM 288 CD2 LEU A 171 -0.318 2.824 6.673 1.00 0.00 C ATOM 0 H LEU A 171 3.210 2.007 4.359 1.00 0.00 H new ATOM 0 HA LEU A 171 2.755 0.161 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 171 1.039 1.699 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 171 0.322 0.493 5.584 1.00 0.00 H new ATOM 0 HG LEU A 171 1.273 1.711 7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 171 2.049 4.023 7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 171 3.118 2.849 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 171 1.962 3.803 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -0.361 3.556 7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -0.543 3.314 5.726 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -1.050 2.038 6.858 1.00 0.00 H new ATOM 300 N ASP A 172 2.014 -0.792 3.390 1.00 0.00 N ATOM 301 CA ASP A 172 1.828 -1.939 2.518 1.00 0.00 C ATOM 302 C ASP A 172 3.169 -2.614 2.227 1.00 0.00 C ATOM 303 O ASP A 172 3.216 -3.673 1.602 1.00 0.00 O ATOM 304 CB ASP A 172 1.160 -1.512 1.209 1.00 0.00 C ATOM 305 CG ASP A 172 -0.298 -1.143 1.400 1.00 0.00 C ATOM 306 OD1 ASP A 172 -0.998 -1.858 2.148 1.00 0.00 O ATOM 307 OD2 ASP A 172 -0.740 -0.140 0.801 1.00 0.00 O ATOM 0 H ASP A 172 1.952 0.109 2.916 1.00 0.00 H new ATOM 0 HA ASP A 172 1.180 -2.654 3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 172 1.696 -0.660 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 172 1.235 -2.323 0.484 1.00 0.00 H new ATOM 312 N ALA A 173 4.262 -1.997 2.690 1.00 0.00 N ATOM 313 CA ALA A 173 5.593 -2.547 2.478 1.00 0.00 C ATOM 314 C ALA A 173 5.811 -3.741 3.394 1.00 0.00 C ATOM 315 O ALA A 173 5.776 -4.894 2.962 1.00 0.00 O ATOM 316 CB ALA A 173 6.663 -1.497 2.735 1.00 0.00 C ATOM 0 H ALA A 173 4.245 -1.120 3.211 1.00 0.00 H new ATOM 0 HA ALA A 173 5.669 -2.868 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 173 7.648 -1.933 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 173 6.519 -0.657 2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 173 6.589 -1.147 3.765 1.00 0.00 H new ATOM 322 N GLY A 174 6.013 -3.448 4.673 1.00 0.00 N ATOM 323 CA GLY A 174 6.210 -4.488 5.662 1.00 0.00 C ATOM 324 C GLY A 174 5.092 -4.504 6.690 1.00 0.00 C ATOM 325 O GLY A 174 4.935 -5.474 7.432 1.00 0.00 O ATOM 0 H GLY A 174 6.044 -2.498 5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 174 6.262 -5.457 5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 174 7.165 -4.336 6.165 1.00 0.00 H new ATOM 329 N TYR A 175 4.312 -3.421 6.730 1.00 0.00 N ATOM 330 CA TYR A 175 3.196 -3.295 7.665 1.00 0.00 C ATOM 331 C TYR A 175 3.681 -3.007 9.086 1.00 0.00 C ATOM 332 O TYR A 175 3.164 -2.113 9.755 1.00 0.00 O ATOM 333 CB TYR A 175 2.334 -4.562 7.648 1.00 0.00 C ATOM 334 CG TYR A 175 0.858 -4.293 7.837 1.00 0.00 C ATOM 335 CD1 TYR A 175 0.408 -3.461 8.855 1.00 0.00 C ATOM 336 CD2 TYR A 175 -0.086 -4.871 6.997 1.00 0.00 C ATOM 337 CE1 TYR A 175 -0.941 -3.214 9.031 1.00 0.00 C ATOM 338 CE2 TYR A 175 -1.436 -4.627 7.165 1.00 0.00 C ATOM 339 CZ TYR A 175 -1.858 -3.799 8.183 1.00 0.00 C ATOM 340 OH TYR A 175 -3.202 -3.554 8.353 1.00 0.00 O ATOM 0 H TYR A 175 4.436 -2.613 6.119 1.00 0.00 H new ATOM 0 HA TYR A 175 2.591 -2.449 7.340 1.00 0.00 H new ATOM 0 HB2 TYR A 175 2.482 -5.079 6.700 1.00 0.00 H new ATOM 0 HB3 TYR A 175 2.676 -5.234 8.435 1.00 0.00 H new ATOM 0 HD1 TYR A 175 1.124 -3.000 9.520 1.00 0.00 H new ATOM 0 HD2 TYR A 175 0.241 -5.522 6.199 1.00 0.00 H new ATOM 0 HE1 TYR A 175 -1.275 -2.566 9.828 1.00 0.00 H new ATOM 0 HE2 TYR A 175 -2.157 -5.083 6.502 1.00 0.00 H new ATOM 0 HH TYR A 175 -3.712 -4.041 7.672 1.00 0.00 H new ATOM 350 N PHE A 176 4.673 -3.767 9.548 1.00 0.00 N ATOM 351 CA PHE A 176 5.215 -3.583 10.890 1.00 0.00 C ATOM 352 C PHE A 176 6.436 -2.662 10.873 1.00 0.00 C ATOM 353 O PHE A 176 7.207 -2.623 11.832 1.00 0.00 O ATOM 354 CB PHE A 176 5.594 -4.940 11.493 1.00 0.00 C ATOM 355 CG PHE A 176 5.056 -5.155 12.878 1.00 0.00 C ATOM 356 CD1 PHE A 176 3.696 -5.086 13.127 1.00 0.00 C ATOM 357 CD2 PHE A 176 5.913 -5.430 13.932 1.00 0.00 C ATOM 358 CE1 PHE A 176 3.199 -5.286 14.401 1.00 0.00 C ATOM 359 CE2 PHE A 176 5.423 -5.630 15.208 1.00 0.00 C ATOM 360 CZ PHE A 176 4.064 -5.558 15.444 1.00 0.00 C ATOM 0 H PHE A 176 5.116 -4.514 9.013 1.00 0.00 H new ATOM 0 HA PHE A 176 4.445 -3.115 11.504 1.00 0.00 H new ATOM 0 HB2 PHE A 176 5.225 -5.733 10.842 1.00 0.00 H new ATOM 0 HB3 PHE A 176 6.680 -5.027 11.517 1.00 0.00 H new ATOM 0 HD1 PHE A 176 3.015 -4.873 12.316 1.00 0.00 H new ATOM 0 HD2 PHE A 176 6.977 -5.489 13.754 1.00 0.00 H new ATOM 0 HE1 PHE A 176 2.136 -5.230 14.581 1.00 0.00 H new ATOM 0 HE2 PHE A 176 6.102 -5.843 16.020 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.678 -5.714 16.441 1.00 0.00 H new ATOM 370 N LEU A 177 6.610 -1.924 9.778 1.00 0.00 N ATOM 371 CA LEU A 177 7.740 -1.009 9.642 1.00 0.00 C ATOM 372 C LEU A 177 7.381 0.407 10.102 1.00 0.00 C ATOM 373 O LEU A 177 8.148 1.038 10.831 1.00 0.00 O ATOM 374 CB LEU A 177 8.230 -0.974 8.192 1.00 0.00 C ATOM 375 CG LEU A 177 8.163 -2.309 7.448 1.00 0.00 C ATOM 376 CD1 LEU A 177 8.773 -2.175 6.061 1.00 0.00 C ATOM 377 CD2 LEU A 177 8.873 -3.396 8.240 1.00 0.00 C ATOM 0 H LEU A 177 5.983 -1.942 8.973 1.00 0.00 H new ATOM 0 HA LEU A 177 8.538 -1.381 10.284 1.00 0.00 H new ATOM 0 HB2 LEU A 177 7.639 -0.241 7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 177 9.262 -0.623 8.183 1.00 0.00 H new ATOM 0 HG LEU A 177 7.116 -2.592 7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 177 8.717 -3.133 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 177 8.223 -1.425 5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 177 9.816 -1.871 6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 177 8.816 -4.339 7.696 1.00 0.00 H new ATOM 0 HD22 LEU A 177 9.918 -3.121 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 177 8.395 -3.509 9.213 1.00 0.00 H new ATOM 389 N PRO A 178 6.216 0.937 9.678 1.00 0.00 N ATOM 390 CA PRO A 178 5.778 2.291 10.049 1.00 0.00 C ATOM 391 C PRO A 178 5.497 2.445 11.546 1.00 0.00 C ATOM 392 O PRO A 178 5.206 3.546 12.013 1.00 0.00 O ATOM 393 CB PRO A 178 4.485 2.495 9.247 1.00 0.00 C ATOM 394 CG PRO A 178 4.490 1.431 8.205 1.00 0.00 C ATOM 395 CD PRO A 178 5.240 0.275 8.798 1.00 0.00 C ATOM 0 HA PRO A 178 6.555 3.024 9.832 1.00 0.00 H new ATOM 0 HB2 PRO A 178 3.608 2.411 9.889 1.00 0.00 H new ATOM 0 HB3 PRO A 178 4.456 3.486 8.795 1.00 0.00 H new ATOM 0 HG2 PRO A 178 3.474 1.141 7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 178 4.971 1.781 7.292 1.00 0.00 H new ATOM 0 HD2 PRO A 178 4.581 -0.392 9.354 1.00 0.00 H new ATOM 0 HD3 PRO A 178 5.729 -0.326 8.031 1.00 0.00 H new ATOM 403 N LEU A 179 5.580 1.347 12.293 1.00 0.00 N ATOM 404 CA LEU A 179 5.328 1.384 13.729 1.00 0.00 C ATOM 405 C LEU A 179 6.256 2.372 14.434 1.00 0.00 C ATOM 406 O LEU A 179 5.982 2.803 15.553 1.00 0.00 O ATOM 407 CB LEU A 179 5.493 -0.011 14.335 1.00 0.00 C ATOM 408 CG LEU A 179 4.528 -1.070 13.801 1.00 0.00 C ATOM 409 CD1 LEU A 179 4.671 -2.363 14.587 1.00 0.00 C ATOM 410 CD2 LEU A 179 3.094 -0.565 13.860 1.00 0.00 C ATOM 0 H LEU A 179 5.819 0.425 11.929 1.00 0.00 H new ATOM 0 HA LEU A 179 4.301 1.720 13.876 1.00 0.00 H new ATOM 0 HB2 LEU A 179 6.514 -0.349 14.156 1.00 0.00 H new ATOM 0 HB3 LEU A 179 5.366 0.062 15.415 1.00 0.00 H new ATOM 0 HG LEU A 179 4.778 -1.270 12.759 1.00 0.00 H new ATOM 0 HD11 LEU A 179 3.977 -3.106 14.194 1.00 0.00 H new ATOM 0 HD12 LEU A 179 5.692 -2.734 14.494 1.00 0.00 H new ATOM 0 HD13 LEU A 179 4.447 -2.177 15.637 1.00 0.00 H new ATOM 0 HD21 LEU A 179 2.422 -1.332 13.476 1.00 0.00 H new ATOM 0 HD22 LEU A 179 2.831 -0.336 14.893 1.00 0.00 H new ATOM 0 HD23 LEU A 179 3.000 0.336 13.254 1.00 0.00 H new ATOM 422 N ARG A 180 7.350 2.730 13.771 1.00 0.00 N ATOM 423 CA ARG A 180 8.312 3.668 14.331 1.00 0.00 C ATOM 424 C ARG A 180 8.914 4.521 13.222 1.00 0.00 C ATOM 425 O ARG A 180 10.133 4.678 13.128 1.00 0.00 O ATOM 426 CB ARG A 180 9.418 2.918 15.077 1.00 0.00 C ATOM 427 CG ARG A 180 8.910 2.103 16.261 1.00 0.00 C ATOM 428 CD ARG A 180 8.585 0.663 15.878 1.00 0.00 C ATOM 429 NE ARG A 180 9.439 0.157 14.805 1.00 0.00 N ATOM 430 CZ ARG A 180 10.740 -0.089 14.944 1.00 0.00 C ATOM 431 NH1 ARG A 180 11.340 0.120 16.110 1.00 0.00 N ATOM 432 NH2 ARG A 180 11.442 -0.545 13.917 1.00 0.00 N ATOM 0 H ARG A 180 7.592 2.383 12.843 1.00 0.00 H new ATOM 0 HA ARG A 180 7.795 4.317 15.038 1.00 0.00 H new ATOM 0 HB2 ARG A 180 9.928 2.253 14.380 1.00 0.00 H new ATOM 0 HB3 ARG A 180 10.158 3.636 15.431 1.00 0.00 H new ATOM 0 HG2 ARG A 180 9.662 2.105 17.050 1.00 0.00 H new ATOM 0 HG3 ARG A 180 8.018 2.578 16.670 1.00 0.00 H new ATOM 0 HD2 ARG A 180 8.694 0.025 16.755 1.00 0.00 H new ATOM 0 HD3 ARG A 180 7.542 0.601 15.566 1.00 0.00 H new ATOM 0 HE ARG A 180 9.013 -0.018 13.895 1.00 0.00 H new ATOM 0 HH11 ARG A 180 10.804 0.470 16.904 1.00 0.00 H new ATOM 0 HH12 ARG A 180 12.337 -0.070 16.212 1.00 0.00 H new ATOM 0 HH21 ARG A 180 10.986 -0.708 13.019 1.00 0.00 H new ATOM 0 HH22 ARG A 180 12.439 -0.733 14.024 1.00 0.00 H new HETATM 446 N HSL A 181 7.993 5.079 12.357 1.00 0.00 N HETATM 447 CA HSL A 181 8.378 5.914 11.242 1.00 0.00 C HETATM 448 C HSL A 181 7.811 7.323 11.353 1.00 0.00 C HETATM 449 O HSL A 181 7.722 8.000 12.350 1.00 0.00 O HETATM 450 CB HSL A 181 7.842 5.433 9.905 1.00 0.00 C HETATM 451 CG HSL A 181 7.624 6.741 9.159 1.00 0.00 C HETATM 452 OD HSL A 181 7.404 7.724 10.138 1.00 0.00 O HETATM 0 HG3 HSL A 181 8.492 6.989 8.548 1.00 0.00 H new HETATM 0 HG2 HSL A 181 6.771 6.666 8.485 1.00 0.00 H new HETATM 0 HB3 HSL A 181 8.551 4.784 9.391 1.00 0.00 H new HETATM 0 HB2 HSL A 181 6.916 4.868 10.016 1.00 0.00 H new HETATM 0 HA HSL A 181 9.467 5.880 11.282 1.00 0.00 H new TER 459 HSL A 181