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= -4.7 K(o=-4.7,f=-16!) 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 2.241 21.420 1.467 1.00 0.00 N ATOM 2 CA PHE A 155 3.164 20.644 0.598 1.00 0.00 C ATOM 3 C PHE A 155 4.110 19.782 1.426 1.00 0.00 C ATOM 4 O PHE A 155 4.771 20.273 2.342 1.00 0.00 O ATOM 5 CB PHE A 155 3.965 21.625 -0.261 1.00 0.00 C ATOM 6 CG PHE A 155 4.899 22.494 0.533 1.00 0.00 C ATOM 7 CD1 PHE A 155 4.419 23.580 1.248 1.00 0.00 C ATOM 8 CD2 PHE A 155 6.258 22.221 0.568 1.00 0.00 C ATOM 9 CE1 PHE A 155 5.276 24.378 1.981 1.00 0.00 C ATOM 10 CE2 PHE A 155 7.119 23.017 1.300 1.00 0.00 C ATOM 11 CZ PHE A 155 6.628 24.097 2.007 1.00 0.00 C ATOM 0 HA PHE A 155 2.580 19.976 -0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 155 4.541 21.064 -0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 155 3.273 22.260 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 155 3.363 23.805 1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 155 6.648 21.378 0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 155 4.889 25.221 2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 155 8.176 22.794 1.319 1.00 0.00 H new ATOM 0 HZ PHE A 155 7.300 24.720 2.579 1.00 0.00 H new ATOM 23 N LEU A 156 4.174 18.494 1.099 1.00 0.00 N ATOM 24 CA LEU A 156 5.042 17.571 1.812 1.00 0.00 C ATOM 25 C LEU A 156 5.195 16.255 1.054 1.00 0.00 C ATOM 26 O LEU A 156 4.346 15.892 0.239 1.00 0.00 O ATOM 27 CB LEU A 156 4.501 17.316 3.220 1.00 0.00 C ATOM 28 CG LEU A 156 3.218 16.488 3.285 1.00 0.00 C ATOM 29 CD1 LEU A 156 3.449 15.203 4.065 1.00 0.00 C ATOM 30 CD2 LEU A 156 2.089 17.295 3.909 1.00 0.00 C ATOM 0 H LEU A 156 3.634 18.069 0.345 1.00 0.00 H new ATOM 0 HA LEU A 156 6.029 18.028 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 156 5.271 16.809 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 156 4.319 18.277 3.701 1.00 0.00 H new ATOM 0 HG LEU A 156 2.930 16.225 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 156 2.524 14.627 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 156 4.224 14.614 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 156 3.764 15.445 5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 156 1.185 16.687 3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 156 2.369 17.591 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 156 1.903 18.186 3.309 1.00 0.00 H new ATOM 42 N GLN A 157 6.291 15.549 1.323 1.00 0.00 N ATOM 43 CA GLN A 157 6.568 14.275 0.664 1.00 0.00 C ATOM 44 C GLN A 157 6.776 14.474 -0.836 1.00 0.00 C ATOM 45 O GLN A 157 6.600 13.547 -1.627 1.00 0.00 O ATOM 46 CB GLN A 157 5.426 13.286 0.907 1.00 0.00 C ATOM 47 CG GLN A 157 5.721 11.882 0.406 1.00 0.00 C ATOM 48 CD GLN A 157 4.908 11.517 -0.821 1.00 0.00 C ATOM 49 OE1 GLN A 157 3.685 11.648 -0.831 1.00 0.00 O ATOM 50 NE2 GLN A 157 5.587 11.053 -1.865 1.00 0.00 N ATOM 0 H GLN A 157 7.003 15.838 1.994 1.00 0.00 H new ATOM 0 HA GLN A 157 7.484 13.867 1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 157 5.213 13.244 1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 157 4.525 13.656 0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 157 6.782 11.800 0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 157 5.514 11.166 1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 157 6.601 10.961 -1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 157 5.094 10.789 -2.718 1.00 0.00 H new ATOM 59 N SER A 158 7.149 15.693 -1.219 1.00 0.00 N ATOM 60 CA SER A 158 7.381 16.028 -2.620 1.00 0.00 C ATOM 61 C SER A 158 6.207 15.602 -3.493 1.00 0.00 C ATOM 62 O SER A 158 6.379 15.229 -4.654 1.00 0.00 O ATOM 63 CB SER A 158 8.673 15.381 -3.122 1.00 0.00 C ATOM 64 OG SER A 158 9.326 16.214 -4.065 1.00 0.00 O ATOM 0 H SER A 158 7.297 16.469 -0.573 1.00 0.00 H new ATOM 0 HA SER A 158 7.480 17.111 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 158 9.338 15.188 -2.280 1.00 0.00 H new ATOM 0 HB3 SER A 158 8.448 14.417 -3.578 1.00 0.00 H new ATOM 0 HG SER A 158 10.150 15.780 -4.370 1.00 0.00 H new ATOM 70 N ASP A 159 5.015 15.667 -2.921 1.00 0.00 N ATOM 71 CA ASP A 159 3.799 15.300 -3.629 1.00 0.00 C ATOM 72 C ASP A 159 2.584 15.841 -2.888 1.00 0.00 C ATOM 73 O ASP A 159 1.777 16.579 -3.448 1.00 0.00 O ATOM 74 CB ASP A 159 3.703 13.779 -3.767 1.00 0.00 C ATOM 75 CG ASP A 159 4.397 13.268 -5.014 1.00 0.00 C ATOM 76 OD1 ASP A 159 3.964 13.634 -6.126 1.00 0.00 O ATOM 77 OD2 ASP A 159 5.373 12.500 -4.877 1.00 0.00 O ATOM 0 H ASP A 159 4.864 15.973 -1.960 1.00 0.00 H new ATOM 0 HA ASP A 159 3.827 15.737 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 159 4.146 13.308 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 159 2.654 13.484 -3.792 1.00 0.00 H new ATOM 82 N VAL A 160 2.482 15.472 -1.616 1.00 0.00 N ATOM 83 CA VAL A 160 1.388 15.913 -0.749 1.00 0.00 C ATOM 84 C VAL A 160 0.070 15.193 -1.056 1.00 0.00 C ATOM 85 O VAL A 160 -0.600 14.719 -0.141 1.00 0.00 O ATOM 86 CB VAL A 160 1.190 17.453 -0.800 1.00 0.00 C ATOM 87 CG1 VAL A 160 0.000 17.854 -1.668 1.00 0.00 C ATOM 88 CG2 VAL A 160 1.025 18.008 0.606 1.00 0.00 C ATOM 0 H VAL A 160 3.154 14.859 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 160 1.683 15.642 0.265 1.00 0.00 H new ATOM 0 HB VAL A 160 2.083 17.880 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -0.098 18.940 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 160 0.157 17.500 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -0.910 17.410 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 160 0.887 19.088 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 160 0.154 17.552 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 160 1.915 17.782 1.193 1.00 0.00 H new ATOM 98 N PHE A 161 -0.301 15.113 -2.335 1.00 0.00 N ATOM 99 CA PHE A 161 -1.546 14.451 -2.722 1.00 0.00 C ATOM 100 C PHE A 161 -1.520 12.973 -2.328 1.00 0.00 C ATOM 101 O PHE A 161 -2.564 12.333 -2.203 1.00 0.00 O ATOM 102 CB PHE A 161 -1.790 14.599 -4.230 1.00 0.00 C ATOM 103 CG PHE A 161 -0.994 13.648 -5.083 1.00 0.00 C ATOM 104 CD1 PHE A 161 0.339 13.396 -4.807 1.00 0.00 C ATOM 105 CD2 PHE A 161 -1.583 13.010 -6.164 1.00 0.00 C ATOM 106 CE1 PHE A 161 1.072 12.523 -5.591 1.00 0.00 C ATOM 107 CE2 PHE A 161 -0.856 12.137 -6.951 1.00 0.00 C ATOM 108 CZ PHE A 161 0.472 11.894 -6.665 1.00 0.00 C ATOM 0 H PHE A 161 0.237 15.494 -3.113 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.366 14.933 -2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -2.851 14.448 -4.431 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -1.552 15.621 -4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 161 0.812 13.887 -3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 161 -2.622 13.197 -6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 161 2.111 12.334 -5.364 1.00 0.00 H new ATOM 0 HE2 PHE A 161 -1.327 11.645 -7.789 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.042 11.213 -7.280 1.00 0.00 H new ATOM 118 N PHE A 162 -0.318 12.448 -2.118 1.00 0.00 N ATOM 119 CA PHE A 162 -0.137 11.061 -1.721 1.00 0.00 C ATOM 120 C PHE A 162 -0.609 10.859 -0.291 1.00 0.00 C ATOM 121 O PHE A 162 -1.541 10.098 -0.026 1.00 0.00 O ATOM 122 CB PHE A 162 1.331 10.689 -1.839 1.00 0.00 C ATOM 123 CG PHE A 162 1.585 9.481 -2.697 1.00 0.00 C ATOM 124 CD1 PHE A 162 0.754 8.374 -2.625 1.00 0.00 C ATOM 125 CD2 PHE A 162 2.658 9.452 -3.574 1.00 0.00 C ATOM 126 CE1 PHE A 162 0.988 7.263 -3.414 1.00 0.00 C ATOM 127 CE2 PHE A 162 2.897 8.344 -4.364 1.00 0.00 C ATOM 128 CZ PHE A 162 2.060 7.247 -4.284 1.00 0.00 C ATOM 0 H PHE A 162 0.552 12.970 -2.218 1.00 0.00 H new ATOM 0 HA PHE A 162 -0.727 10.421 -2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 162 1.879 11.537 -2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 162 1.731 10.505 -0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -0.085 8.379 -1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 162 3.315 10.306 -3.641 1.00 0.00 H new ATOM 0 HE1 PHE A 162 0.332 6.407 -3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 162 3.737 8.335 -5.043 1.00 0.00 H new ATOM 0 HZ PHE A 162 2.244 6.380 -4.900 1.00 0.00 H new ATOM 138 N LEU A 163 0.029 11.580 0.622 1.00 0.00 N ATOM 139 CA LEU A 163 -0.322 11.531 2.033 1.00 0.00 C ATOM 140 C LEU A 163 -1.696 12.150 2.250 1.00 0.00 C ATOM 141 O LEU A 163 -2.228 12.167 3.360 1.00 0.00 O ATOM 142 CB LEU A 163 0.718 12.295 2.835 1.00 0.00 C ATOM 143 CG LEU A 163 2.000 11.518 3.089 1.00 0.00 C ATOM 144 CD1 LEU A 163 2.806 11.398 1.808 1.00 0.00 C ATOM 145 CD2 LEU A 163 2.822 12.166 4.192 1.00 0.00 C ATOM 0 H LEU A 163 0.800 12.212 0.406 1.00 0.00 H new ATOM 0 HA LEU A 163 -0.348 10.492 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 163 0.963 13.217 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 163 0.284 12.582 3.793 1.00 0.00 H new ATOM 0 HG LEU A 163 1.733 10.515 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 163 3.721 10.839 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 163 2.217 10.875 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 163 3.060 12.393 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 163 3.733 11.590 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 163 3.083 13.184 3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 163 2.240 12.190 5.113 1.00 0.00 H new ATOM 157 N PHE A 164 -2.244 12.672 1.163 1.00 0.00 N ATOM 158 CA PHE A 164 -3.540 13.328 1.161 1.00 0.00 C ATOM 159 C PHE A 164 -4.692 12.327 1.063 1.00 0.00 C ATOM 160 O PHE A 164 -5.799 12.688 0.660 1.00 0.00 O ATOM 161 CB PHE A 164 -3.590 14.289 -0.023 1.00 0.00 C ATOM 162 CG PHE A 164 -3.941 15.700 0.355 1.00 0.00 C ATOM 163 CD1 PHE A 164 -5.244 16.038 0.686 1.00 0.00 C ATOM 164 CD2 PHE A 164 -2.970 16.689 0.379 1.00 0.00 C ATOM 165 CE1 PHE A 164 -5.572 17.334 1.035 1.00 0.00 C ATOM 166 CE2 PHE A 164 -3.292 17.987 0.725 1.00 0.00 C ATOM 167 CZ PHE A 164 -4.594 18.310 1.054 1.00 0.00 C ATOM 0 H PHE A 164 -1.795 12.651 0.247 1.00 0.00 H new ATOM 0 HA PHE A 164 -3.659 13.863 2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 164 -2.621 14.287 -0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 164 -4.321 13.924 -0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 164 -6.012 15.279 0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 164 -1.950 16.442 0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 164 -6.591 17.584 1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 164 -2.526 18.749 0.738 1.00 0.00 H new ATOM 0 HZ PHE A 164 -4.847 19.324 1.326 1.00 0.00 H new ATOM 177 N LEU A 165 -4.439 11.077 1.433 1.00 0.00 N ATOM 178 CA LEU A 165 -5.471 10.047 1.382 1.00 0.00 C ATOM 179 C LEU A 165 -5.007 8.764 2.058 1.00 0.00 C ATOM 180 O LEU A 165 -5.442 8.442 3.163 1.00 0.00 O ATOM 181 CB LEU A 165 -5.860 9.748 -0.067 1.00 0.00 C ATOM 182 CG LEU A 165 -7.146 10.428 -0.547 1.00 0.00 C ATOM 183 CD1 LEU A 165 -6.833 11.501 -1.579 1.00 0.00 C ATOM 184 CD2 LEU A 165 -8.112 9.403 -1.121 1.00 0.00 C ATOM 0 H LEU A 165 -3.533 10.753 1.770 1.00 0.00 H new ATOM 0 HA LEU A 165 -6.340 10.428 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -5.041 10.054 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -5.973 8.670 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 165 -7.620 10.905 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -7.760 11.972 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -6.181 12.253 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -6.334 11.048 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -9.019 9.906 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -7.645 8.896 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -8.365 8.672 -0.353 1.00 0.00 H new ATOM 196 N LEU A 166 -4.132 8.031 1.383 1.00 0.00 N ATOM 197 CA LEU A 166 -3.622 6.780 1.913 1.00 0.00 C ATOM 198 C LEU A 166 -2.327 6.403 1.207 1.00 0.00 C ATOM 199 O LEU A 166 -2.332 5.622 0.255 1.00 0.00 O ATOM 200 CB LEU A 166 -4.668 5.678 1.735 1.00 0.00 C ATOM 201 CG LEU A 166 -5.063 4.942 3.018 1.00 0.00 C ATOM 202 CD1 LEU A 166 -3.828 4.413 3.732 1.00 0.00 C ATOM 203 CD2 LEU A 166 -5.859 5.859 3.934 1.00 0.00 C ATOM 0 H LEU A 166 -3.762 8.284 0.467 1.00 0.00 H new ATOM 0 HA LEU A 166 -3.414 6.899 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -5.564 6.117 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -4.287 4.949 1.020 1.00 0.00 H new ATOM 0 HG LEU A 166 -5.693 4.094 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -4.128 3.893 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -3.297 3.722 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -3.172 5.245 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -6.132 5.320 4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -5.253 6.727 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -6.763 6.189 3.422 1.00 0.00 H new ATOM 215 N PRO A 167 -1.193 6.964 1.657 1.00 0.00 N ATOM 216 CA PRO A 167 0.106 6.688 1.052 1.00 0.00 C ATOM 217 C PRO A 167 0.547 5.248 1.261 1.00 0.00 C ATOM 218 O PRO A 167 0.846 4.832 2.382 1.00 0.00 O ATOM 219 CB PRO A 167 1.058 7.638 1.769 1.00 0.00 C ATOM 220 CG PRO A 167 0.386 7.947 3.063 1.00 0.00 C ATOM 221 CD PRO A 167 -1.090 7.911 2.781 1.00 0.00 C ATOM 0 HA PRO A 167 0.080 6.830 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 167 2.032 7.175 1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 167 1.228 8.543 1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 167 0.655 7.217 3.827 1.00 0.00 H new ATOM 0 HG3 PRO A 167 0.688 8.926 3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 167 -1.658 7.571 3.647 1.00 0.00 H new ATOM 0 HD3 PRO A 167 -1.474 8.896 2.515 1.00 0.00 H new ATOM 229 N PRO A 168 0.598 4.469 0.177 1.00 0.00 N ATOM 230 CA PRO A 168 1.007 3.076 0.221 1.00 0.00 C ATOM 231 C PRO A 168 2.515 2.926 0.092 1.00 0.00 C ATOM 232 O PRO A 168 3.260 3.895 0.210 1.00 0.00 O ATOM 233 CB PRO A 168 0.308 2.504 -1.005 1.00 0.00 C ATOM 234 CG PRO A 168 0.373 3.619 -1.990 1.00 0.00 C ATOM 235 CD PRO A 168 0.266 4.888 -1.193 1.00 0.00 C ATOM 0 HA PRO A 168 0.751 2.582 1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 168 0.812 1.611 -1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 168 -0.722 2.221 -0.785 1.00 0.00 H new ATOM 0 HG2 PRO A 168 1.307 3.589 -2.551 1.00 0.00 H new ATOM 0 HG3 PRO A 168 -0.437 3.545 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 168 0.956 5.649 -1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 168 -0.736 5.313 -1.250 1.00 0.00 H new ATOM 243 N ILE A 169 2.948 1.704 -0.163 1.00 0.00 N ATOM 244 CA ILE A 169 4.367 1.388 -0.325 1.00 0.00 C ATOM 245 C ILE A 169 5.083 1.263 1.026 1.00 0.00 C ATOM 246 O ILE A 169 5.947 0.408 1.195 1.00 0.00 O ATOM 247 CB ILE A 169 5.085 2.440 -1.214 1.00 0.00 C ATOM 248 CG1 ILE A 169 5.915 1.740 -2.293 1.00 0.00 C ATOM 249 CG2 ILE A 169 5.965 3.373 -0.389 1.00 0.00 C ATOM 250 CD1 ILE A 169 5.092 1.259 -3.470 1.00 0.00 C ATOM 0 H ILE A 169 2.330 0.899 -0.265 1.00 0.00 H new ATOM 0 HA ILE A 169 4.416 0.420 -0.824 1.00 0.00 H new ATOM 0 HB ILE A 169 4.318 3.050 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 169 6.682 2.426 -2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 169 6.431 0.889 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 169 6.449 4.094 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 169 5.351 3.903 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 169 6.725 2.790 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 169 5.744 0.773 -4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 169 4.342 0.548 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 169 4.597 2.109 -3.939 1.00 0.00 H new ATOM 262 N ILE A 170 4.719 2.122 1.974 1.00 0.00 N ATOM 263 CA ILE A 170 5.319 2.114 3.308 1.00 0.00 C ATOM 264 C ILE A 170 4.655 1.076 4.206 1.00 0.00 C ATOM 265 O ILE A 170 5.281 0.100 4.618 1.00 0.00 O ATOM 266 CB ILE A 170 5.214 3.496 3.982 1.00 0.00 C ATOM 267 CG1 ILE A 170 5.543 4.609 2.984 1.00 0.00 C ATOM 268 CG2 ILE A 170 6.140 3.570 5.186 1.00 0.00 C ATOM 269 CD1 ILE A 170 4.322 5.186 2.300 1.00 0.00 C ATOM 0 H ILE A 170 4.005 2.839 1.843 1.00 0.00 H new ATOM 0 HA ILE A 170 6.371 1.859 3.176 1.00 0.00 H new ATOM 0 HB ILE A 170 4.188 3.635 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 170 6.070 5.409 3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 170 6.223 4.218 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 170 6.054 4.552 5.651 1.00 0.00 H new ATOM 0 HG22 ILE A 170 5.861 2.801 5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 170 7.169 3.410 4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 170 4.629 5.969 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 170 3.806 4.398 1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 170 3.651 5.607 3.048 1.00 0.00 H new ATOM 281 N LEU A 171 3.380 1.297 4.507 1.00 0.00 N ATOM 282 CA LEU A 171 2.624 0.384 5.354 1.00 0.00 C ATOM 283 C LEU A 171 2.458 -0.961 4.662 1.00 0.00 C ATOM 284 O LEU A 171 2.649 -2.017 5.262 1.00 0.00 O ATOM 285 CB LEU A 171 1.248 0.969 5.672 1.00 0.00 C ATOM 286 CG LEU A 171 0.464 1.482 4.461 1.00 0.00 C ATOM 287 CD1 LEU A 171 -0.576 0.461 4.027 1.00 0.00 C ATOM 288 CD2 LEU A 171 -0.199 2.815 4.781 1.00 0.00 C ATOM 0 H LEU A 171 2.848 2.102 4.176 1.00 0.00 H new ATOM 0 HA LEU A 171 3.175 0.243 6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 171 0.653 0.206 6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 171 1.374 1.790 6.378 1.00 0.00 H new ATOM 0 HG LEU A 171 1.162 1.633 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -1.123 0.843 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -0.080 -0.472 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -1.271 0.279 4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -0.752 3.165 3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -0.885 2.688 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 171 0.564 3.547 5.044 1.00 0.00 H new ATOM 300 N ASP A 172 2.109 -0.901 3.387 1.00 0.00 N ATOM 301 CA ASP A 172 1.921 -2.099 2.582 1.00 0.00 C ATOM 302 C ASP A 172 3.258 -2.775 2.289 1.00 0.00 C ATOM 303 O ASP A 172 3.296 -3.862 1.712 1.00 0.00 O ATOM 304 CB ASP A 172 1.209 -1.749 1.273 1.00 0.00 C ATOM 305 CG ASP A 172 -0.100 -2.495 1.110 1.00 0.00 C ATOM 306 OD1 ASP A 172 -0.069 -3.742 1.035 1.00 0.00 O ATOM 307 OD2 ASP A 172 -1.158 -1.834 1.056 1.00 0.00 O ATOM 0 H ASP A 172 1.949 -0.029 2.883 1.00 0.00 H new ATOM 0 HA ASP A 172 1.303 -2.796 3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 172 1.019 -0.676 1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 172 1.864 -1.982 0.433 1.00 0.00 H new ATOM 312 N ALA A 173 4.358 -2.136 2.692 1.00 0.00 N ATOM 313 CA ALA A 173 5.678 -2.700 2.465 1.00 0.00 C ATOM 314 C ALA A 173 5.942 -3.835 3.446 1.00 0.00 C ATOM 315 O ALA A 173 6.125 -4.986 3.052 1.00 0.00 O ATOM 316 CB ALA A 173 6.755 -1.634 2.599 1.00 0.00 C ATOM 0 H ALA A 173 4.356 -1.236 3.172 1.00 0.00 H new ATOM 0 HA ALA A 173 5.709 -3.093 1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 173 7.734 -2.081 2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 173 6.580 -0.846 1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 173 6.724 -1.209 3.602 1.00 0.00 H new ATOM 322 N GLY A 174 5.950 -3.494 4.730 1.00 0.00 N ATOM 323 CA GLY A 174 6.181 -4.484 5.765 1.00 0.00 C ATOM 324 C GLY A 174 5.145 -4.417 6.875 1.00 0.00 C ATOM 325 O GLY A 174 5.212 -5.189 7.828 1.00 0.00 O ATOM 0 H GLY A 174 5.800 -2.545 5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 174 6.169 -5.479 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 174 7.174 -4.336 6.190 1.00 0.00 H new ATOM 329 N TYR A 175 4.175 -3.505 6.735 1.00 0.00 N ATOM 330 CA TYR A 175 3.098 -3.320 7.700 1.00 0.00 C ATOM 331 C TYR A 175 3.606 -3.004 9.110 1.00 0.00 C ATOM 332 O TYR A 175 3.182 -2.020 9.714 1.00 0.00 O ATOM 333 CB TYR A 175 2.167 -4.531 7.714 1.00 0.00 C ATOM 334 CG TYR A 175 2.595 -5.677 6.821 1.00 0.00 C ATOM 335 CD1 TYR A 175 2.488 -5.578 5.439 1.00 0.00 C ATOM 336 CD2 TYR A 175 3.099 -6.855 7.358 1.00 0.00 C ATOM 337 CE1 TYR A 175 2.873 -6.621 4.618 1.00 0.00 C ATOM 338 CE2 TYR A 175 3.486 -7.902 6.542 1.00 0.00 C ATOM 339 CZ TYR A 175 3.370 -7.779 5.174 1.00 0.00 C ATOM 340 OH TYR A 175 3.754 -8.820 4.359 1.00 0.00 O ATOM 0 H TYR A 175 4.120 -2.871 5.938 1.00 0.00 H new ATOM 0 HA TYR A 175 2.534 -2.447 7.372 1.00 0.00 H new ATOM 0 HB2 TYR A 175 2.088 -4.898 8.737 1.00 0.00 H new ATOM 0 HB3 TYR A 175 1.170 -4.208 7.413 1.00 0.00 H new ATOM 0 HD1 TYR A 175 2.098 -4.672 5.000 1.00 0.00 H new ATOM 0 HD2 TYR A 175 3.190 -6.955 8.430 1.00 0.00 H new ATOM 0 HE1 TYR A 175 2.785 -6.528 3.546 1.00 0.00 H new ATOM 0 HE2 TYR A 175 3.877 -8.811 6.974 1.00 0.00 H new ATOM 0 HH TYR A 175 4.083 -9.562 4.909 1.00 0.00 H new ATOM 350 N PHE A 176 4.505 -3.828 9.634 1.00 0.00 N ATOM 351 CA PHE A 176 5.048 -3.608 10.970 1.00 0.00 C ATOM 352 C PHE A 176 6.340 -2.793 10.910 1.00 0.00 C ATOM 353 O PHE A 176 7.120 -2.779 11.862 1.00 0.00 O ATOM 354 CB PHE A 176 5.307 -4.945 11.666 1.00 0.00 C ATOM 355 CG PHE A 176 4.154 -5.413 12.510 1.00 0.00 C ATOM 356 CD1 PHE A 176 2.860 -5.382 12.016 1.00 0.00 C ATOM 357 CD2 PHE A 176 4.367 -5.881 13.797 1.00 0.00 C ATOM 358 CE1 PHE A 176 1.798 -5.811 12.791 1.00 0.00 C ATOM 359 CE2 PHE A 176 3.310 -6.311 14.576 1.00 0.00 C ATOM 360 CZ PHE A 176 2.024 -6.276 14.073 1.00 0.00 C ATOM 0 H PHE A 176 4.873 -4.651 9.157 1.00 0.00 H new ATOM 0 HA PHE A 176 4.312 -3.044 11.543 1.00 0.00 H new ATOM 0 HB2 PHE A 176 5.527 -5.702 10.913 1.00 0.00 H new ATOM 0 HB3 PHE A 176 6.193 -4.854 12.294 1.00 0.00 H new ATOM 0 HD1 PHE A 176 2.679 -5.019 11.015 1.00 0.00 H new ATOM 0 HD2 PHE A 176 5.370 -5.910 14.195 1.00 0.00 H new ATOM 0 HE1 PHE A 176 0.794 -5.783 12.395 1.00 0.00 H new ATOM 0 HE2 PHE A 176 3.489 -6.674 15.577 1.00 0.00 H new ATOM 0 HZ PHE A 176 1.196 -6.611 14.680 1.00 0.00 H new ATOM 370 N LEU A 177 6.553 -2.109 9.788 1.00 0.00 N ATOM 371 CA LEU A 177 7.741 -1.284 9.605 1.00 0.00 C ATOM 372 C LEU A 177 7.571 0.076 10.289 1.00 0.00 C ATOM 373 O LEU A 177 8.455 0.522 11.020 1.00 0.00 O ATOM 374 CB LEU A 177 8.033 -1.115 8.104 1.00 0.00 C ATOM 375 CG LEU A 177 8.257 0.321 7.620 1.00 0.00 C ATOM 376 CD1 LEU A 177 9.553 0.882 8.187 1.00 0.00 C ATOM 377 CD2 LEU A 177 8.270 0.373 6.099 1.00 0.00 C ATOM 0 H LEU A 177 5.916 -2.111 8.991 1.00 0.00 H new ATOM 0 HA LEU A 177 8.591 -1.783 10.071 1.00 0.00 H new ATOM 0 HB2 LEU A 177 8.918 -1.702 7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 177 7.202 -1.541 7.542 1.00 0.00 H new ATOM 0 HG LEU A 177 7.433 0.938 7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 177 9.694 1.903 7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 177 9.505 0.880 9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 177 10.390 0.265 7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 177 8.430 1.400 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 177 9.074 -0.258 5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 177 7.315 0.014 5.715 1.00 0.00 H new ATOM 389 N PRO A 178 6.429 0.755 10.061 1.00 0.00 N ATOM 390 CA PRO A 178 6.153 2.065 10.661 1.00 0.00 C ATOM 391 C PRO A 178 6.537 2.131 12.136 1.00 0.00 C ATOM 392 O PRO A 178 7.059 3.142 12.604 1.00 0.00 O ATOM 393 CB PRO A 178 4.642 2.200 10.488 1.00 0.00 C ATOM 394 CG PRO A 178 4.351 1.460 9.232 1.00 0.00 C ATOM 395 CD PRO A 178 5.314 0.302 9.202 1.00 0.00 C ATOM 0 HA PRO A 178 6.730 2.864 10.195 1.00 0.00 H new ATOM 0 HB2 PRO A 178 4.105 1.774 11.335 1.00 0.00 H new ATOM 0 HB3 PRO A 178 4.342 3.245 10.413 1.00 0.00 H new ATOM 0 HG2 PRO A 178 3.319 1.110 9.215 1.00 0.00 H new ATOM 0 HG3 PRO A 178 4.484 2.102 8.361 1.00 0.00 H new ATOM 0 HD2 PRO A 178 4.857 -0.610 9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 178 5.651 0.087 8.188 1.00 0.00 H new ATOM 403 N LEU A 179 6.267 1.053 12.867 1.00 0.00 N ATOM 404 CA LEU A 179 6.581 0.999 14.289 1.00 0.00 C ATOM 405 C LEU A 179 5.771 2.041 15.045 1.00 0.00 C ATOM 406 O LEU A 179 6.324 2.958 15.653 1.00 0.00 O ATOM 407 CB LEU A 179 8.077 1.226 14.520 1.00 0.00 C ATOM 408 CG LEU A 179 8.914 -0.048 14.638 1.00 0.00 C ATOM 409 CD1 LEU A 179 8.467 -0.871 15.837 1.00 0.00 C ATOM 410 CD2 LEU A 179 8.819 -0.869 13.361 1.00 0.00 C ATOM 0 H LEU A 179 5.832 0.207 12.498 1.00 0.00 H new ATOM 0 HA LEU A 179 6.320 0.009 14.662 1.00 0.00 H new ATOM 0 HB2 LEU A 179 8.469 1.825 13.698 1.00 0.00 H new ATOM 0 HB3 LEU A 179 8.204 1.812 15.431 1.00 0.00 H new ATOM 0 HG LEU A 179 9.956 0.237 14.786 1.00 0.00 H new ATOM 0 HD11 LEU A 179 9.074 -1.774 15.905 1.00 0.00 H new ATOM 0 HD12 LEU A 179 8.588 -0.283 16.747 1.00 0.00 H new ATOM 0 HD13 LEU A 179 7.419 -1.146 15.719 1.00 0.00 H new ATOM 0 HD21 LEU A 179 9.421 -1.772 13.463 1.00 0.00 H new ATOM 0 HD22 LEU A 179 7.780 -1.144 13.182 1.00 0.00 H new ATOM 0 HD23 LEU A 179 9.188 -0.280 12.521 1.00 0.00 H new ATOM 422 N ARG A 180 4.453 1.901 14.992 1.00 0.00 N ATOM 423 CA ARG A 180 3.559 2.835 15.662 1.00 0.00 C ATOM 424 C ARG A 180 3.643 4.212 15.011 1.00 0.00 C ATOM 425 O ARG A 180 3.615 5.237 15.693 1.00 0.00 O ATOM 426 CB ARG A 180 3.911 2.938 17.149 1.00 0.00 C ATOM 427 CG ARG A 180 4.172 1.592 17.808 1.00 0.00 C ATOM 428 CD ARG A 180 3.017 0.627 17.589 1.00 0.00 C ATOM 429 NE ARG A 180 3.313 -0.351 16.546 1.00 0.00 N ATOM 430 CZ ARG A 180 4.268 -1.274 16.644 1.00 0.00 C ATOM 431 NH1 ARG A 180 5.020 -1.347 17.736 1.00 0.00 N ATOM 432 NH2 ARG A 180 4.472 -2.124 15.649 1.00 0.00 N ATOM 0 H ARG A 180 3.979 1.149 14.491 1.00 0.00 H new ATOM 0 HA ARG A 180 2.539 2.462 15.567 1.00 0.00 H new ATOM 0 HB2 ARG A 180 4.795 3.566 17.262 1.00 0.00 H new ATOM 0 HB3 ARG A 180 3.096 3.438 17.673 1.00 0.00 H new ATOM 0 HG2 ARG A 180 5.088 1.161 17.405 1.00 0.00 H new ATOM 0 HG3 ARG A 180 4.330 1.734 18.877 1.00 0.00 H new ATOM 0 HD2 ARG A 180 2.797 0.107 18.522 1.00 0.00 H new ATOM 0 HD3 ARG A 180 2.122 1.188 17.317 1.00 0.00 H new ATOM 0 HE ARG A 180 2.756 -0.326 15.692 1.00 0.00 H new ATOM 0 HH11 ARG A 180 4.868 -0.694 18.505 1.00 0.00 H new ATOM 0 HH12 ARG A 180 5.750 -2.056 17.806 1.00 0.00 H new ATOM 0 HH21 ARG A 180 3.898 -2.072 14.808 1.00 0.00 H new ATOM 0 HH22 ARG A 180 5.203 -2.831 15.724 1.00 0.00 H new HETATM 446 N HSL A 181 3.749 4.206 13.632 1.00 0.00 N HETATM 447 CA HSL A 181 3.839 5.427 12.857 1.00 0.00 C HETATM 448 C HSL A 181 2.670 5.585 11.894 1.00 0.00 C HETATM 449 O HSL A 181 1.512 5.311 12.097 1.00 0.00 O HETATM 450 CB HSL A 181 5.047 5.492 11.937 1.00 0.00 C HETATM 451 CG HSL A 181 4.515 6.318 10.776 1.00 0.00 C HETATM 452 OD HSL A 181 3.128 6.095 10.738 1.00 0.00 O HETATM 0 HG3 HSL A 181 4.735 7.376 10.918 1.00 0.00 H new HETATM 0 HG2 HSL A 181 4.983 6.018 9.838 1.00 0.00 H new HETATM 0 HB3 HSL A 181 5.902 5.967 12.418 1.00 0.00 H new HETATM 0 HB2 HSL A 181 5.371 4.501 11.618 1.00 0.00 H new HETATM 0 HA HSL A 181 3.877 6.194 13.631 1.00 0.00 H new TER 459 HSL A 181