USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 156 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0173 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 29.290 -2.493 -13.785 1.00 0.00 N ATOM 109 CA LEU A 7 28.293 -1.744 -12.962 1.00 0.00 C ATOM 110 C LEU A 7 27.952 -2.537 -11.695 1.00 0.00 C ATOM 111 O LEU A 7 27.519 -1.977 -10.705 1.00 0.00 O ATOM 112 CB LEU A 7 27.019 -1.526 -13.781 1.00 0.00 C ATOM 113 CG LEU A 7 27.371 -0.859 -15.113 1.00 0.00 C ATOM 114 CD1 LEU A 7 26.188 -0.984 -16.075 1.00 0.00 C ATOM 115 CD2 LEU A 7 27.679 0.622 -14.877 1.00 0.00 C ATOM 0 HA LEU A 7 28.719 -0.782 -12.677 1.00 0.00 H new ATOM 0 HB2 LEU A 7 26.523 -2.480 -13.961 1.00 0.00 H new ATOM 0 HB3 LEU A 7 26.319 -0.902 -13.224 1.00 0.00 H new ATOM 0 HG LEU A 7 28.244 -1.349 -15.544 1.00 0.00 H new ATOM 0 HD11 LEU A 7 26.439 -0.509 -17.024 1.00 0.00 H new ATOM 0 HD12 LEU A 7 25.966 -2.038 -16.244 1.00 0.00 H new ATOM 0 HD13 LEU A 7 25.315 -0.494 -15.644 1.00 0.00 H new ATOM 0 HD21 LEU A 7 27.930 1.097 -15.825 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.805 1.111 -14.446 1.00 0.00 H new ATOM 0 HD23 LEU A 7 28.521 0.714 -14.191 1.00 0.00 H new ATOM 127 N SER A 8 28.138 -3.834 -11.717 1.00 0.00 N ATOM 128 CA SER A 8 27.819 -4.665 -10.516 1.00 0.00 C ATOM 129 C SER A 8 28.659 -4.214 -9.313 1.00 0.00 C ATOM 130 O SER A 8 28.328 -4.507 -8.180 1.00 0.00 O ATOM 131 CB SER A 8 28.122 -6.131 -10.822 1.00 0.00 C ATOM 132 OG SER A 8 27.443 -6.513 -12.011 1.00 0.00 O ATOM 0 H SER A 8 28.498 -4.354 -12.517 1.00 0.00 H new ATOM 0 HA SER A 8 26.763 -4.544 -10.274 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.196 -6.275 -10.941 1.00 0.00 H new ATOM 0 HB3 SER A 8 27.806 -6.761 -9.991 1.00 0.00 H new ATOM 0 HG SER A 8 27.637 -7.453 -12.211 1.00 0.00 H new ATOM 138 N ASP A 9 29.745 -3.517 -9.546 1.00 0.00 N ATOM 139 CA ASP A 9 30.606 -3.061 -8.413 1.00 0.00 C ATOM 140 C ASP A 9 29.860 -2.016 -7.575 1.00 0.00 C ATOM 141 O ASP A 9 29.992 -1.975 -6.366 1.00 0.00 O ATOM 142 CB ASP A 9 31.894 -2.444 -8.975 1.00 0.00 C ATOM 143 CG ASP A 9 33.049 -3.439 -8.832 1.00 0.00 C ATOM 144 OD1 ASP A 9 32.895 -4.564 -9.277 1.00 0.00 O ATOM 145 OD2 ASP A 9 34.068 -3.057 -8.280 1.00 0.00 O ATOM 0 H ASP A 9 30.071 -3.245 -10.473 1.00 0.00 H new ATOM 0 HA ASP A 9 30.851 -3.914 -7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 9 31.755 -2.182 -10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 9 32.128 -1.521 -8.444 1.00 0.00 H new ATOM 150 N ILE A 10 29.089 -1.167 -8.207 1.00 0.00 N ATOM 151 CA ILE A 10 28.345 -0.115 -7.450 1.00 0.00 C ATOM 152 C ILE A 10 27.117 -0.726 -6.769 1.00 0.00 C ATOM 153 O ILE A 10 26.796 -0.390 -5.646 1.00 0.00 O ATOM 154 CB ILE A 10 27.897 0.989 -8.412 1.00 0.00 C ATOM 155 CG1 ILE A 10 29.100 1.489 -9.231 1.00 0.00 C ATOM 156 CG2 ILE A 10 27.299 2.152 -7.615 1.00 0.00 C ATOM 157 CD1 ILE A 10 30.188 2.053 -8.306 1.00 0.00 C ATOM 0 H ILE A 10 28.943 -1.157 -9.216 1.00 0.00 H new ATOM 0 HA ILE A 10 29.003 0.306 -6.689 1.00 0.00 H new ATOM 0 HB ILE A 10 27.144 0.589 -9.091 1.00 0.00 H new ATOM 0 HG12 ILE A 10 29.508 0.671 -9.824 1.00 0.00 H new ATOM 0 HG13 ILE A 10 28.775 2.259 -9.931 1.00 0.00 H new ATOM 0 HG21 ILE A 10 26.980 2.937 -8.301 1.00 0.00 H new ATOM 0 HG22 ILE A 10 26.440 1.798 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 10 28.050 2.549 -6.932 1.00 0.00 H new ATOM 0 HD11 ILE A 10 31.030 2.401 -8.905 1.00 0.00 H new ATOM 0 HD12 ILE A 10 29.782 2.886 -7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 10 30.526 1.273 -7.624 1.00 0.00 H new ATOM 169 N THR A 11 26.429 -1.616 -7.439 1.00 0.00 N ATOM 170 CA THR A 11 25.220 -2.245 -6.829 1.00 0.00 C ATOM 171 C THR A 11 25.632 -3.056 -5.598 1.00 0.00 C ATOM 172 O THR A 11 24.896 -3.153 -4.634 1.00 0.00 O ATOM 173 CB THR A 11 24.550 -3.165 -7.853 1.00 0.00 C ATOM 174 OG1 THR A 11 24.689 -2.605 -9.151 1.00 0.00 O ATOM 175 CG2 THR A 11 23.066 -3.310 -7.513 1.00 0.00 C ATOM 0 H THR A 11 26.653 -1.934 -8.382 1.00 0.00 H new ATOM 0 HA THR A 11 24.517 -1.467 -6.530 1.00 0.00 H new ATOM 0 HB THR A 11 25.024 -4.146 -7.828 1.00 0.00 H new ATOM 0 HG1 THR A 11 24.262 -3.193 -9.808 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.588 -3.965 -8.242 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.961 -3.739 -6.516 1.00 0.00 H new ATOM 0 HG23 THR A 11 22.589 -2.330 -7.538 1.00 0.00 H new ATOM 183 N ASP A 12 26.809 -3.631 -5.621 1.00 0.00 N ATOM 184 CA ASP A 12 27.282 -4.429 -4.452 1.00 0.00 C ATOM 185 C ASP A 12 27.577 -3.477 -3.291 1.00 0.00 C ATOM 186 O ASP A 12 27.284 -3.767 -2.145 1.00 0.00 O ATOM 187 CB ASP A 12 28.558 -5.191 -4.831 1.00 0.00 C ATOM 188 CG ASP A 12 28.211 -6.644 -5.168 1.00 0.00 C ATOM 189 OD1 ASP A 12 27.784 -6.887 -6.284 1.00 0.00 O ATOM 190 OD2 ASP A 12 28.378 -7.487 -4.302 1.00 0.00 O ATOM 0 H ASP A 12 27.463 -3.581 -6.402 1.00 0.00 H new ATOM 0 HA ASP A 12 26.515 -5.145 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 12 29.038 -4.714 -5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 12 29.271 -5.159 -4.007 1.00 0.00 H new ATOM 195 N VAL A 13 28.149 -2.339 -3.588 1.00 0.00 N ATOM 196 CA VAL A 13 28.465 -1.348 -2.518 1.00 0.00 C ATOM 197 C VAL A 13 27.164 -0.891 -1.852 1.00 0.00 C ATOM 198 O VAL A 13 27.114 -0.664 -0.658 1.00 0.00 O ATOM 199 CB VAL A 13 29.179 -0.142 -3.133 1.00 0.00 C ATOM 200 CG1 VAL A 13 29.587 0.834 -2.026 1.00 0.00 C ATOM 201 CG2 VAL A 13 30.429 -0.612 -3.883 1.00 0.00 C ATOM 0 H VAL A 13 28.412 -2.053 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 13 29.113 -1.808 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 13 28.505 0.359 -3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 13 30.095 1.692 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 13 28.698 1.173 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 13 30.259 0.333 -1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 13 30.936 0.248 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 13 31.102 -1.116 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.140 -1.304 -4.674 1.00 0.00 H new ATOM 211 N ILE A 14 26.114 -0.758 -2.621 1.00 0.00 N ATOM 212 CA ILE A 14 24.808 -0.317 -2.051 1.00 0.00 C ATOM 213 C ILE A 14 24.199 -1.454 -1.220 1.00 0.00 C ATOM 214 O ILE A 14 23.436 -1.216 -0.302 1.00 0.00 O ATOM 215 CB ILE A 14 23.858 0.062 -3.194 1.00 0.00 C ATOM 216 CG1 ILE A 14 24.499 1.164 -4.042 1.00 0.00 C ATOM 217 CG2 ILE A 14 22.533 0.576 -2.624 1.00 0.00 C ATOM 218 CD1 ILE A 14 23.849 1.192 -5.429 1.00 0.00 C ATOM 0 H ILE A 14 26.106 -0.937 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 14 24.962 0.550 -1.408 1.00 0.00 H new ATOM 0 HB ILE A 14 23.670 -0.819 -3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 14 24.377 2.130 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 14 25.571 0.988 -4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 14 21.864 0.843 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 14 22.071 -0.203 -2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 14 22.719 1.454 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 14 24.307 1.977 -6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 14 23.994 0.229 -5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.782 1.390 -5.327 1.00 0.00 H new ATOM 230 N PHE A 15 24.531 -2.684 -1.532 1.00 0.00 N ATOM 231 CA PHE A 15 23.973 -3.835 -0.760 1.00 0.00 C ATOM 232 C PHE A 15 24.412 -3.729 0.702 1.00 0.00 C ATOM 233 O PHE A 15 23.593 -3.634 1.598 1.00 0.00 O ATOM 234 CB PHE A 15 24.490 -5.149 -1.349 1.00 0.00 C ATOM 235 CG PHE A 15 23.640 -6.294 -0.849 1.00 0.00 C ATOM 236 CD1 PHE A 15 22.412 -6.573 -1.461 1.00 0.00 C ATOM 237 CD2 PHE A 15 24.079 -7.077 0.226 1.00 0.00 C ATOM 238 CE1 PHE A 15 21.622 -7.632 -0.997 1.00 0.00 C ATOM 239 CE2 PHE A 15 23.289 -8.137 0.690 1.00 0.00 C ATOM 240 CZ PHE A 15 22.061 -8.414 0.078 1.00 0.00 C ATOM 0 H PHE A 15 25.165 -2.939 -2.289 1.00 0.00 H new ATOM 0 HA PHE A 15 22.885 -3.814 -0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 15 24.460 -5.108 -2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 15 25.531 -5.303 -1.064 1.00 0.00 H new ATOM 0 HD1 PHE A 15 22.074 -5.971 -2.291 1.00 0.00 H new ATOM 0 HD2 PHE A 15 25.027 -6.864 0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 15 20.674 -7.845 -1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 15 23.627 -8.740 1.520 1.00 0.00 H new ATOM 0 HZ PHE A 15 21.452 -9.231 0.435 1.00 0.00 H new ATOM 250 N ILE A 16 25.698 -3.742 0.947 1.00 0.00 N ATOM 251 CA ILE A 16 26.197 -3.637 2.350 1.00 0.00 C ATOM 252 C ILE A 16 26.029 -2.199 2.867 1.00 0.00 C ATOM 253 O ILE A 16 26.229 -1.939 4.037 1.00 0.00 O ATOM 254 CB ILE A 16 27.677 -4.033 2.397 1.00 0.00 C ATOM 255 CG1 ILE A 16 27.853 -5.436 1.797 1.00 0.00 C ATOM 256 CG2 ILE A 16 28.162 -4.034 3.850 1.00 0.00 C ATOM 257 CD1 ILE A 16 28.341 -5.325 0.350 1.00 0.00 C ATOM 0 H ILE A 16 26.424 -3.821 0.235 1.00 0.00 H new ATOM 0 HA ILE A 16 25.619 -4.309 2.984 1.00 0.00 H new ATOM 0 HB ILE A 16 28.261 -3.316 1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 16 28.568 -6.007 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 16 26.907 -5.977 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 16 29.214 -4.316 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 16 28.040 -3.038 4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 16 27.577 -4.749 4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 16 28.464 -6.323 -0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 16 27.610 -4.771 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 16 29.297 -4.802 0.328 1.00 0.00 H new ATOM 269 N TYR A 17 25.657 -1.265 2.019 1.00 0.00 N ATOM 270 CA TYR A 17 25.468 0.137 2.495 1.00 0.00 C ATOM 271 C TYR A 17 24.142 0.223 3.256 1.00 0.00 C ATOM 272 O TYR A 17 23.986 1.012 4.169 1.00 0.00 O ATOM 273 CB TYR A 17 25.440 1.093 1.299 1.00 0.00 C ATOM 274 CG TYR A 17 25.416 2.520 1.795 1.00 0.00 C ATOM 275 CD1 TYR A 17 26.408 2.973 2.674 1.00 0.00 C ATOM 276 CD2 TYR A 17 24.403 3.391 1.376 1.00 0.00 C ATOM 277 CE1 TYR A 17 26.385 4.295 3.135 1.00 0.00 C ATOM 278 CE2 TYR A 17 24.380 4.713 1.837 1.00 0.00 C ATOM 279 CZ TYR A 17 25.371 5.165 2.716 1.00 0.00 C ATOM 280 OH TYR A 17 25.348 6.467 3.172 1.00 0.00 O ATOM 0 H TYR A 17 25.478 -1.416 1.026 1.00 0.00 H new ATOM 0 HA TYR A 17 26.292 0.419 3.151 1.00 0.00 H new ATOM 0 HB2 TYR A 17 26.315 0.930 0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 17 24.563 0.896 0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 17 27.191 2.302 2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 17 23.639 3.043 0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 17 27.149 4.644 3.814 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.598 5.384 1.514 1.00 0.00 H new ATOM 0 HH TYR A 17 24.580 6.936 2.784 1.00 0.00 H new ATOM 290 N PHE A 18 23.190 -0.595 2.884 1.00 0.00 N ATOM 291 CA PHE A 18 21.868 -0.592 3.569 1.00 0.00 C ATOM 292 C PHE A 18 21.901 -1.578 4.747 1.00 0.00 C ATOM 293 O PHE A 18 21.155 -1.445 5.696 1.00 0.00 O ATOM 294 CB PHE A 18 20.789 -1.033 2.566 1.00 0.00 C ATOM 295 CG PHE A 18 19.794 0.081 2.346 1.00 0.00 C ATOM 296 CD1 PHE A 18 20.197 1.266 1.723 1.00 0.00 C ATOM 297 CD2 PHE A 18 18.466 -0.076 2.762 1.00 0.00 C ATOM 298 CE1 PHE A 18 19.273 2.296 1.515 1.00 0.00 C ATOM 299 CE2 PHE A 18 17.542 0.954 2.555 1.00 0.00 C ATOM 300 CZ PHE A 18 17.946 2.140 1.932 1.00 0.00 C ATOM 0 H PHE A 18 23.277 -1.272 2.126 1.00 0.00 H new ATOM 0 HA PHE A 18 21.645 0.408 3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 18 21.253 -1.308 1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 18 20.276 -1.920 2.939 1.00 0.00 H new ATOM 0 HD1 PHE A 18 21.221 1.386 1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 18 18.155 -0.992 3.242 1.00 0.00 H new ATOM 0 HE1 PHE A 18 19.584 3.211 1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 18 16.518 0.834 2.876 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.233 2.936 1.773 1.00 0.00 H new ATOM 310 N ALA A 19 22.747 -2.575 4.673 1.00 0.00 N ATOM 311 CA ALA A 19 22.829 -3.595 5.761 1.00 0.00 C ATOM 312 C ALA A 19 23.665 -3.071 6.934 1.00 0.00 C ATOM 313 O ALA A 19 23.196 -2.965 8.050 1.00 0.00 O ATOM 314 CB ALA A 19 23.493 -4.854 5.201 1.00 0.00 C ATOM 0 H ALA A 19 23.391 -2.726 3.896 1.00 0.00 H new ATOM 0 HA ALA A 19 21.823 -3.814 6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 19 23.560 -5.609 5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 19 22.899 -5.241 4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.494 -4.610 4.845 1.00 0.00 H new ATOM 320 N ALA A 20 24.909 -2.769 6.683 1.00 0.00 N ATOM 321 CA ALA A 20 25.824 -2.273 7.759 1.00 0.00 C ATOM 322 C ALA A 20 25.215 -1.087 8.505 1.00 0.00 C ATOM 323 O ALA A 20 25.239 -1.024 9.719 1.00 0.00 O ATOM 324 CB ALA A 20 27.123 -1.812 7.112 1.00 0.00 C ATOM 0 H ALA A 20 25.341 -2.845 5.762 1.00 0.00 H new ATOM 0 HA ALA A 20 25.994 -3.083 8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 20 27.803 -1.447 7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 20 27.585 -2.648 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 20 26.912 -1.011 6.404 1.00 0.00 H new ATOM 330 N LEU A 21 24.715 -0.133 7.778 1.00 0.00 N ATOM 331 CA LEU A 21 24.131 1.088 8.415 1.00 0.00 C ATOM 332 C LEU A 21 22.680 0.844 8.877 1.00 0.00 C ATOM 333 O LEU A 21 22.124 1.641 9.605 1.00 0.00 O ATOM 334 CB LEU A 21 24.160 2.236 7.396 1.00 0.00 C ATOM 335 CG LEU A 21 24.833 3.466 8.013 1.00 0.00 C ATOM 336 CD1 LEU A 21 26.321 3.182 8.232 1.00 0.00 C ATOM 337 CD2 LEU A 21 24.677 4.657 7.067 1.00 0.00 C ATOM 0 H LEU A 21 24.683 -0.141 6.759 1.00 0.00 H new ATOM 0 HA LEU A 21 24.723 1.340 9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 21 24.700 1.926 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 21 23.145 2.484 7.086 1.00 0.00 H new ATOM 0 HG LEU A 21 24.364 3.694 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 21 26.798 4.058 8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 21 26.434 2.332 8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 21 26.792 2.953 7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 21 25.155 5.534 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 21 25.147 4.426 6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 21 23.618 4.861 6.911 1.00 0.00 H new ATOM 349 N SER A 22 22.061 -0.233 8.456 1.00 0.00 N ATOM 350 CA SER A 22 20.640 -0.514 8.866 1.00 0.00 C ATOM 351 C SER A 22 20.446 -0.378 10.393 1.00 0.00 C ATOM 352 O SER A 22 19.543 0.310 10.826 1.00 0.00 O ATOM 353 CB SER A 22 20.259 -1.936 8.440 1.00 0.00 C ATOM 354 OG SER A 22 18.974 -1.912 7.832 1.00 0.00 O ATOM 0 H SER A 22 22.477 -0.935 7.844 1.00 0.00 H new ATOM 0 HA SER A 22 20.000 0.219 8.375 1.00 0.00 H new ATOM 0 HB2 SER A 22 20.998 -2.330 7.742 1.00 0.00 H new ATOM 0 HB3 SER A 22 20.253 -2.599 9.305 1.00 0.00 H new ATOM 0 HG SER A 22 18.726 -2.819 7.556 1.00 0.00 H new ATOM 360 N PRO A 23 21.275 -1.044 11.168 1.00 0.00 N ATOM 361 CA PRO A 23 21.227 -1.050 12.676 1.00 0.00 C ATOM 362 C PRO A 23 21.703 0.286 13.228 1.00 0.00 C ATOM 363 O PRO A 23 21.020 0.940 13.992 1.00 0.00 O ATOM 364 CB PRO A 23 22.159 -2.162 13.122 1.00 0.00 C ATOM 365 CG PRO A 23 23.133 -2.385 11.996 1.00 0.00 C ATOM 366 CD PRO A 23 22.435 -1.912 10.728 1.00 0.00 C ATOM 0 HA PRO A 23 20.212 -1.208 13.039 1.00 0.00 H new ATOM 0 HB2 PRO A 23 22.682 -1.885 14.037 1.00 0.00 H new ATOM 0 HB3 PRO A 23 21.600 -3.073 13.337 1.00 0.00 H new ATOM 0 HG2 PRO A 23 24.055 -1.828 12.163 1.00 0.00 H new ATOM 0 HG3 PRO A 23 23.406 -3.438 11.920 1.00 0.00 H new ATOM 0 HD2 PRO A 23 23.121 -1.349 10.095 1.00 0.00 H new ATOM 0 HD3 PRO A 23 22.083 -2.760 10.141 1.00 0.00 H new ATOM 374 N ALA A 24 22.881 0.680 12.848 1.00 0.00 N ATOM 375 CA ALA A 24 23.462 1.978 13.332 1.00 0.00 C ATOM 376 C ALA A 24 22.445 3.126 13.192 1.00 0.00 C ATOM 377 O ALA A 24 22.485 4.091 13.932 1.00 0.00 O ATOM 378 CB ALA A 24 24.704 2.310 12.503 1.00 0.00 C ATOM 0 H ALA A 24 23.483 0.156 12.213 1.00 0.00 H new ATOM 0 HA ALA A 24 23.721 1.869 14.385 1.00 0.00 H new ATOM 0 HB1 ALA A 24 25.131 3.251 12.849 1.00 0.00 H new ATOM 0 HB2 ALA A 24 25.440 1.514 12.616 1.00 0.00 H new ATOM 0 HB3 ALA A 24 24.427 2.401 11.453 1.00 0.00 H new ATOM 384 N ILE A 25 21.539 3.024 12.250 1.00 0.00 N ATOM 385 CA ILE A 25 20.521 4.103 12.059 1.00 0.00 C ATOM 386 C ILE A 25 19.493 4.042 13.200 1.00 0.00 C ATOM 387 O ILE A 25 19.121 5.055 13.761 1.00 0.00 O ATOM 388 CB ILE A 25 19.828 3.915 10.694 1.00 0.00 C ATOM 389 CG1 ILE A 25 20.843 4.165 9.577 1.00 0.00 C ATOM 390 CG2 ILE A 25 18.669 4.910 10.534 1.00 0.00 C ATOM 391 CD1 ILE A 25 20.423 3.394 8.324 1.00 0.00 C ATOM 0 H ILE A 25 21.461 2.238 11.604 1.00 0.00 H new ATOM 0 HA ILE A 25 21.005 5.080 12.076 1.00 0.00 H new ATOM 0 HB ILE A 25 19.438 2.899 10.639 1.00 0.00 H new ATOM 0 HG12 ILE A 25 20.903 5.231 9.358 1.00 0.00 H new ATOM 0 HG13 ILE A 25 21.836 3.848 9.896 1.00 0.00 H new ATOM 0 HG21 ILE A 25 18.193 4.761 9.565 1.00 0.00 H new ATOM 0 HG22 ILE A 25 17.938 4.747 11.326 1.00 0.00 H new ATOM 0 HG23 ILE A 25 19.052 5.928 10.598 1.00 0.00 H new ATOM 0 HD11 ILE A 25 21.146 3.572 7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.385 2.328 8.548 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.438 3.732 8.002 1.00 0.00 H new ATOM 403 N THR A 26 19.029 2.865 13.542 1.00 0.00 N ATOM 404 CA THR A 26 18.021 2.732 14.642 1.00 0.00 C ATOM 405 C THR A 26 18.544 3.389 15.927 1.00 0.00 C ATOM 406 O THR A 26 17.784 3.935 16.705 1.00 0.00 O ATOM 407 CB THR A 26 17.749 1.248 14.905 1.00 0.00 C ATOM 408 OG1 THR A 26 17.601 0.569 13.666 1.00 0.00 O ATOM 409 CG2 THR A 26 16.468 1.100 15.728 1.00 0.00 C ATOM 0 H THR A 26 19.306 1.986 13.105 1.00 0.00 H new ATOM 0 HA THR A 26 17.100 3.230 14.340 1.00 0.00 H new ATOM 0 HB THR A 26 18.584 0.817 15.458 1.00 0.00 H new ATOM 0 HG1 THR A 26 17.429 -0.381 13.832 1.00 0.00 H new ATOM 0 HG21 THR A 26 16.275 0.043 15.915 1.00 0.00 H new ATOM 0 HG22 THR A 26 16.584 1.621 16.678 1.00 0.00 H new ATOM 0 HG23 THR A 26 15.631 1.530 15.178 1.00 0.00 H new