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=0.000888 USER MOD Single : A 11 THR OG1 : rot 70:sc= 0.323 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 77:sc= 0.11 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 19.657 -9.057 9.098 1.00 0.00 N ATOM 109 CA LEU A 7 20.818 -8.722 8.215 1.00 0.00 C ATOM 110 C LEU A 7 20.455 -7.571 7.264 1.00 0.00 C ATOM 111 O LEU A 7 21.322 -6.893 6.749 1.00 0.00 O ATOM 112 CB LEU A 7 21.204 -9.964 7.399 1.00 0.00 C ATOM 113 CG LEU A 7 22.503 -10.560 7.945 1.00 0.00 C ATOM 114 CD1 LEU A 7 22.176 -11.610 9.007 1.00 0.00 C ATOM 115 CD2 LEU A 7 23.280 -11.218 6.804 1.00 0.00 C ATOM 0 HA LEU A 7 21.658 -8.409 8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.405 -10.704 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 7 21.329 -9.697 6.350 1.00 0.00 H new ATOM 0 HG LEU A 7 23.107 -9.769 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 7 23.101 -12.035 9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 7 21.621 -11.144 9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 7 21.572 -12.401 8.563 1.00 0.00 H new ATOM 0 HD21 LEU A 7 24.206 -11.643 7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 7 22.675 -12.009 6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 7 23.514 -10.471 6.045 1.00 0.00 H new ATOM 127 N SER A 8 19.187 -7.353 7.024 1.00 0.00 N ATOM 128 CA SER A 8 18.761 -6.258 6.096 1.00 0.00 C ATOM 129 C SER A 8 19.304 -4.907 6.571 1.00 0.00 C ATOM 130 O SER A 8 19.500 -4.002 5.784 1.00 0.00 O ATOM 131 CB SER A 8 17.235 -6.198 6.055 1.00 0.00 C ATOM 132 OG SER A 8 16.730 -6.258 7.383 1.00 0.00 O ATOM 0 H SER A 8 18.422 -7.890 7.433 1.00 0.00 H new ATOM 0 HA SER A 8 19.157 -6.467 5.102 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.908 -5.278 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.842 -7.026 5.466 1.00 0.00 H new ATOM 0 HG SER A 8 15.751 -6.218 7.363 1.00 0.00 H new ATOM 138 N ASP A 9 19.538 -4.764 7.848 1.00 0.00 N ATOM 139 CA ASP A 9 20.062 -3.471 8.380 1.00 0.00 C ATOM 140 C ASP A 9 21.453 -3.203 7.797 1.00 0.00 C ATOM 141 O ASP A 9 21.683 -2.197 7.154 1.00 0.00 O ATOM 142 CB ASP A 9 20.155 -3.553 9.908 1.00 0.00 C ATOM 143 CG ASP A 9 18.974 -2.812 10.537 1.00 0.00 C ATOM 144 OD1 ASP A 9 19.028 -1.594 10.596 1.00 0.00 O ATOM 145 OD2 ASP A 9 18.036 -3.474 10.948 1.00 0.00 O ATOM 0 H ASP A 9 19.388 -5.490 8.549 1.00 0.00 H new ATOM 0 HA ASP A 9 19.390 -2.661 8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 9 20.154 -4.595 10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 9 21.094 -3.116 10.249 1.00 0.00 H new ATOM 150 N ILE A 10 22.377 -4.102 8.022 1.00 0.00 N ATOM 151 CA ILE A 10 23.761 -3.918 7.487 1.00 0.00 C ATOM 152 C ILE A 10 23.733 -3.928 5.951 1.00 0.00 C ATOM 153 O ILE A 10 24.658 -3.466 5.310 1.00 0.00 O ATOM 154 CB ILE A 10 24.662 -5.062 7.979 1.00 0.00 C ATOM 155 CG1 ILE A 10 24.586 -5.187 9.514 1.00 0.00 C ATOM 156 CG2 ILE A 10 26.111 -4.796 7.553 1.00 0.00 C ATOM 157 CD1 ILE A 10 25.035 -3.881 10.179 1.00 0.00 C ATOM 0 H ILE A 10 22.232 -4.959 8.555 1.00 0.00 H new ATOM 0 HA ILE A 10 24.152 -2.963 7.839 1.00 0.00 H new ATOM 0 HB ILE A 10 24.317 -5.996 7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 10 23.566 -5.424 9.816 1.00 0.00 H new ATOM 0 HG13 ILE A 10 25.217 -6.010 9.850 1.00 0.00 H new ATOM 0 HG21 ILE A 10 26.748 -5.608 7.903 1.00 0.00 H new ATOM 0 HG22 ILE A 10 26.165 -4.735 6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 10 26.451 -3.856 7.987 1.00 0.00 H new ATOM 0 HD11 ILE A 10 24.976 -3.985 11.262 1.00 0.00 H new ATOM 0 HD12 ILE A 10 26.063 -3.661 9.891 1.00 0.00 H new ATOM 0 HD13 ILE A 10 24.386 -3.067 9.857 1.00 0.00 H new ATOM 169 N THR A 11 22.688 -4.456 5.354 1.00 0.00 N ATOM 170 CA THR A 11 22.613 -4.501 3.861 1.00 0.00 C ATOM 171 C THR A 11 22.295 -3.107 3.311 1.00 0.00 C ATOM 172 O THR A 11 22.821 -2.702 2.291 1.00 0.00 O ATOM 173 CB THR A 11 21.511 -5.475 3.431 1.00 0.00 C ATOM 174 OG1 THR A 11 21.497 -6.594 4.303 1.00 0.00 O ATOM 175 CG2 THR A 11 21.774 -5.949 2.002 1.00 0.00 C ATOM 0 H THR A 11 21.885 -4.857 5.839 1.00 0.00 H new ATOM 0 HA THR A 11 23.573 -4.835 3.468 1.00 0.00 H new ATOM 0 HB THR A 11 20.547 -4.968 3.474 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.177 -6.316 5.187 1.00 0.00 H new ATOM 0 HG21 THR A 11 20.989 -6.642 1.698 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.781 -5.091 1.330 1.00 0.00 H new ATOM 0 HG23 THR A 11 22.740 -6.453 1.958 1.00 0.00 H new ATOM 183 N ASP A 12 21.438 -2.377 3.976 1.00 0.00 N ATOM 184 CA ASP A 12 21.078 -1.010 3.496 1.00 0.00 C ATOM 185 C ASP A 12 22.298 -0.098 3.610 1.00 0.00 C ATOM 186 O ASP A 12 22.573 0.701 2.735 1.00 0.00 O ATOM 187 CB ASP A 12 19.934 -0.454 4.353 1.00 0.00 C ATOM 188 CG ASP A 12 18.926 0.272 3.459 1.00 0.00 C ATOM 189 OD1 ASP A 12 18.081 -0.398 2.888 1.00 0.00 O ATOM 190 OD2 ASP A 12 19.016 1.484 3.360 1.00 0.00 O ATOM 0 H ASP A 12 20.970 -2.670 4.834 1.00 0.00 H new ATOM 0 HA ASP A 12 20.758 -1.058 2.455 1.00 0.00 H new ATOM 0 HB2 ASP A 12 19.441 -1.265 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 12 20.329 0.231 5.103 1.00 0.00 H new ATOM 195 N VAL A 13 23.030 -0.219 4.686 1.00 0.00 N ATOM 196 CA VAL A 13 24.242 0.628 4.878 1.00 0.00 C ATOM 197 C VAL A 13 25.260 0.309 3.778 1.00 0.00 C ATOM 198 O VAL A 13 25.793 1.196 3.138 1.00 0.00 O ATOM 199 CB VAL A 13 24.853 0.336 6.248 1.00 0.00 C ATOM 200 CG1 VAL A 13 26.028 1.287 6.499 1.00 0.00 C ATOM 201 CG2 VAL A 13 23.793 0.529 7.341 1.00 0.00 C ATOM 0 H VAL A 13 22.838 -0.873 5.445 1.00 0.00 H new ATOM 0 HA VAL A 13 23.968 1.682 4.824 1.00 0.00 H new ATOM 0 HB VAL A 13 25.209 -0.694 6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 13 26.463 1.078 7.476 1.00 0.00 H new ATOM 0 HG12 VAL A 13 26.784 1.143 5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.674 2.318 6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 13 24.233 0.320 8.316 1.00 0.00 H new ATOM 0 HG22 VAL A 13 23.431 1.557 7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 13 22.961 -0.152 7.165 1.00 0.00 H new ATOM 211 N ILE A 14 25.527 -0.953 3.555 1.00 0.00 N ATOM 212 CA ILE A 14 26.503 -1.346 2.494 1.00 0.00 C ATOM 213 C ILE A 14 25.919 -1.040 1.105 1.00 0.00 C ATOM 214 O ILE A 14 26.638 -0.990 0.124 1.00 0.00 O ATOM 215 CB ILE A 14 26.796 -2.847 2.611 1.00 0.00 C ATOM 216 CG1 ILE A 14 27.317 -3.157 4.017 1.00 0.00 C ATOM 217 CG2 ILE A 14 27.854 -3.251 1.582 1.00 0.00 C ATOM 218 CD1 ILE A 14 27.300 -4.670 4.247 1.00 0.00 C ATOM 0 H ILE A 14 25.109 -1.731 4.065 1.00 0.00 H new ATOM 0 HA ILE A 14 27.426 -0.780 2.622 1.00 0.00 H new ATOM 0 HB ILE A 14 25.879 -3.406 2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 14 28.330 -2.772 4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 14 26.699 -2.658 4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 14 28.058 -4.318 1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 14 27.488 -3.033 0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 14 28.771 -2.690 1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 14 27.671 -4.890 5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 14 26.280 -5.042 4.148 1.00 0.00 H new ATOM 0 HD13 ILE A 14 27.937 -5.157 3.509 1.00 0.00 H new ATOM 230 N PHE A 15 24.625 -0.844 1.012 1.00 0.00 N ATOM 231 CA PHE A 15 23.999 -0.550 -0.311 1.00 0.00 C ATOM 232 C PHE A 15 24.453 0.826 -0.806 1.00 0.00 C ATOM 233 O PHE A 15 24.919 0.969 -1.921 1.00 0.00 O ATOM 234 CB PHE A 15 22.475 -0.562 -0.161 1.00 0.00 C ATOM 235 CG PHE A 15 21.832 -0.712 -1.518 1.00 0.00 C ATOM 236 CD1 PHE A 15 21.708 -1.980 -2.098 1.00 0.00 C ATOM 237 CD2 PHE A 15 21.351 0.416 -2.193 1.00 0.00 C ATOM 238 CE1 PHE A 15 21.107 -2.119 -3.354 1.00 0.00 C ATOM 239 CE2 PHE A 15 20.749 0.278 -3.448 1.00 0.00 C ATOM 240 CZ PHE A 15 20.625 -0.991 -4.029 1.00 0.00 C ATOM 0 H PHE A 15 23.976 -0.876 1.799 1.00 0.00 H new ATOM 0 HA PHE A 15 24.304 -1.308 -1.033 1.00 0.00 H new ATOM 0 HB2 PHE A 15 22.170 -1.382 0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 15 22.139 0.361 0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 15 22.076 -2.851 -1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 15 21.445 1.394 -1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 15 21.015 -3.097 -3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 15 20.380 1.149 -3.969 1.00 0.00 H new ATOM 0 HZ PHE A 15 20.158 -1.099 -4.997 1.00 0.00 H new ATOM 250 N ILE A 16 24.315 1.838 0.011 1.00 0.00 N ATOM 251 CA ILE A 16 24.731 3.210 -0.412 1.00 0.00 C ATOM 252 C ILE A 16 26.254 3.351 -0.320 1.00 0.00 C ATOM 253 O ILE A 16 26.843 4.187 -0.978 1.00 0.00 O ATOM 254 CB ILE A 16 24.074 4.254 0.496 1.00 0.00 C ATOM 255 CG1 ILE A 16 22.564 3.978 0.601 1.00 0.00 C ATOM 256 CG2 ILE A 16 24.300 5.649 -0.095 1.00 0.00 C ATOM 257 CD1 ILE A 16 22.254 3.313 1.945 1.00 0.00 C ATOM 0 H ILE A 16 23.932 1.774 0.954 1.00 0.00 H new ATOM 0 HA ILE A 16 24.415 3.369 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 16 24.516 4.200 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 16 22.007 4.910 0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.245 3.333 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 16 23.834 6.396 0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 16 25.370 5.846 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 16 23.857 5.699 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.184 3.119 2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 16 22.799 2.372 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 16 22.558 3.974 2.757 1.00 0.00 H new ATOM 269 N TYR A 17 26.895 2.549 0.493 1.00 0.00 N ATOM 270 CA TYR A 17 28.378 2.645 0.631 1.00 0.00 C ATOM 271 C TYR A 17 29.052 2.213 -0.675 1.00 0.00 C ATOM 272 O TYR A 17 30.025 2.804 -1.103 1.00 0.00 O ATOM 273 CB TYR A 17 28.843 1.734 1.767 1.00 0.00 C ATOM 274 CG TYR A 17 30.149 2.251 2.321 1.00 0.00 C ATOM 275 CD1 TYR A 17 30.188 3.482 2.987 1.00 0.00 C ATOM 276 CD2 TYR A 17 31.320 1.500 2.169 1.00 0.00 C ATOM 277 CE1 TYR A 17 31.398 3.961 3.501 1.00 0.00 C ATOM 278 CE2 TYR A 17 32.530 1.979 2.683 1.00 0.00 C ATOM 279 CZ TYR A 17 32.569 3.210 3.349 1.00 0.00 C ATOM 280 OH TYR A 17 33.761 3.682 3.858 1.00 0.00 O ATOM 0 H TYR A 17 26.453 1.831 1.067 1.00 0.00 H new ATOM 0 HA TYR A 17 28.651 3.677 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 17 28.089 1.701 2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 17 28.968 0.714 1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 17 29.284 4.062 3.104 1.00 0.00 H new ATOM 0 HD2 TYR A 17 31.290 0.551 1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.428 4.910 4.015 1.00 0.00 H new ATOM 0 HE2 TYR A 17 33.434 1.399 2.566 1.00 0.00 H new ATOM 0 HH TYR A 17 34.476 3.039 3.667 1.00 0.00 H new ATOM 290 N PHE A 18 28.545 1.184 -1.305 1.00 0.00 N ATOM 291 CA PHE A 18 29.156 0.702 -2.580 1.00 0.00 C ATOM 292 C PHE A 18 28.585 1.499 -3.759 1.00 0.00 C ATOM 293 O PHE A 18 29.250 1.712 -4.754 1.00 0.00 O ATOM 294 CB PHE A 18 28.840 -0.791 -2.760 1.00 0.00 C ATOM 295 CG PHE A 18 30.092 -1.613 -2.552 1.00 0.00 C ATOM 296 CD1 PHE A 18 31.070 -1.663 -3.553 1.00 0.00 C ATOM 297 CD2 PHE A 18 30.275 -2.324 -1.359 1.00 0.00 C ATOM 298 CE1 PHE A 18 32.230 -2.424 -3.363 1.00 0.00 C ATOM 299 CE2 PHE A 18 31.435 -3.086 -1.170 1.00 0.00 C ATOM 300 CZ PHE A 18 32.412 -3.135 -2.171 1.00 0.00 C ATOM 0 H PHE A 18 27.732 0.655 -0.990 1.00 0.00 H new ATOM 0 HA PHE A 18 30.236 0.843 -2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 18 28.072 -1.097 -2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.440 -0.969 -3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 18 30.929 -1.114 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.522 -2.285 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 18 32.984 -2.462 -4.136 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.576 -3.636 -0.251 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.307 -3.722 -2.024 1.00 0.00 H new ATOM 310 N ALA A 19 27.356 1.931 -3.651 1.00 0.00 N ATOM 311 CA ALA A 19 26.724 2.711 -4.758 1.00 0.00 C ATOM 312 C ALA A 19 27.515 3.995 -5.013 1.00 0.00 C ATOM 313 O ALA A 19 27.918 4.275 -6.120 1.00 0.00 O ATOM 314 CB ALA A 19 25.296 3.081 -4.358 1.00 0.00 C ATOM 0 H ALA A 19 26.759 1.776 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 19 26.718 2.105 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 19 24.829 3.650 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 19 24.722 2.172 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 19 25.317 3.684 -3.451 1.00 0.00 H new ATOM 320 N ALA A 20 27.712 4.779 -3.992 1.00 0.00 N ATOM 321 CA ALA A 20 28.454 6.071 -4.136 1.00 0.00 C ATOM 322 C ALA A 20 29.861 5.845 -4.695 1.00 0.00 C ATOM 323 O ALA A 20 30.315 6.554 -5.573 1.00 0.00 O ATOM 324 CB ALA A 20 28.586 6.709 -2.757 1.00 0.00 C ATOM 0 H ALA A 20 27.387 4.580 -3.046 1.00 0.00 H new ATOM 0 HA ALA A 20 27.902 6.712 -4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 20 29.125 7.653 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 20 27.594 6.894 -2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 20 29.134 6.037 -2.096 1.00 0.00 H new ATOM 330 N LEU A 21 30.564 4.900 -4.146 1.00 0.00 N ATOM 331 CA LEU A 21 31.973 4.634 -4.587 1.00 0.00 C ATOM 332 C LEU A 21 32.021 3.977 -5.980 1.00 0.00 C ATOM 333 O LEU A 21 33.055 3.962 -6.619 1.00 0.00 O ATOM 334 CB LEU A 21 32.646 3.706 -3.561 1.00 0.00 C ATOM 335 CG LEU A 21 33.597 4.507 -2.655 1.00 0.00 C ATOM 336 CD1 LEU A 21 34.705 5.158 -3.499 1.00 0.00 C ATOM 337 CD2 LEU A 21 32.812 5.591 -1.898 1.00 0.00 C ATOM 0 H LEU A 21 30.226 4.289 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 21 32.499 5.587 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 21 31.886 3.212 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 21 33.200 2.923 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 21 34.053 3.828 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 21 35.373 5.723 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 21 35.271 4.383 -4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 21 34.257 5.830 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 21 33.493 6.154 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 21 32.343 6.267 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.043 5.122 -1.285 1.00 0.00 H new ATOM 349 N SER A 22 30.934 3.422 -6.449 1.00 0.00 N ATOM 350 CA SER A 22 30.946 2.752 -7.793 1.00 0.00 C ATOM 351 C SER A 22 31.334 3.744 -8.910 1.00 0.00 C ATOM 352 O SER A 22 32.286 3.507 -9.625 1.00 0.00 O ATOM 353 CB SER A 22 29.560 2.170 -8.083 1.00 0.00 C ATOM 354 OG SER A 22 29.537 0.799 -7.707 1.00 0.00 O ATOM 0 H SER A 22 30.037 3.401 -5.964 1.00 0.00 H new ATOM 0 HA SER A 22 31.690 1.956 -7.773 1.00 0.00 H new ATOM 0 HB2 SER A 22 28.799 2.723 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 22 29.325 2.272 -9.142 1.00 0.00 H new ATOM 0 HG SER A 22 29.464 0.728 -6.732 1.00 0.00 H new ATOM 360 N PRO A 23 30.585 4.818 -9.045 1.00 0.00 N ATOM 361 CA PRO A 23 30.790 5.894 -10.086 1.00 0.00 C ATOM 362 C PRO A 23 32.048 6.702 -9.798 1.00 0.00 C ATOM 363 O PRO A 23 32.936 6.801 -10.619 1.00 0.00 O ATOM 364 CB PRO A 23 29.567 6.792 -10.010 1.00 0.00 C ATOM 365 CG PRO A 23 28.985 6.601 -8.635 1.00 0.00 C ATOM 366 CD PRO A 23 29.391 5.200 -8.202 1.00 0.00 C ATOM 0 HA PRO A 23 30.912 5.457 -11.077 1.00 0.00 H new ATOM 0 HB2 PRO A 23 29.840 7.834 -10.175 1.00 0.00 H new ATOM 0 HB3 PRO A 23 28.842 6.527 -10.779 1.00 0.00 H new ATOM 0 HG2 PRO A 23 29.367 7.350 -7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.900 6.706 -8.652 1.00 0.00 H new ATOM 0 HD2 PRO A 23 29.643 5.180 -7.142 1.00 0.00 H new ATOM 0 HD3 PRO A 23 28.572 4.496 -8.349 1.00 0.00 H new ATOM 374 N ALA A 24 32.111 7.295 -8.640 1.00 0.00 N ATOM 375 CA ALA A 24 33.300 8.135 -8.253 1.00 0.00 C ATOM 376 C ALA A 24 34.619 7.416 -8.582 1.00 0.00 C ATOM 377 O ALA A 24 35.628 8.046 -8.839 1.00 0.00 O ATOM 378 CB ALA A 24 33.249 8.415 -6.752 1.00 0.00 C ATOM 0 H ALA A 24 31.383 7.238 -7.928 1.00 0.00 H new ATOM 0 HA ALA A 24 33.261 9.066 -8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 24 34.107 9.023 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 24 32.330 8.950 -6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 24 33.273 7.472 -6.205 1.00 0.00 H new ATOM 384 N ILE A 25 34.612 6.107 -8.580 1.00 0.00 N ATOM 385 CA ILE A 25 35.858 5.347 -8.898 1.00 0.00 C ATOM 386 C ILE A 25 36.049 5.311 -10.424 1.00 0.00 C ATOM 387 O ILE A 25 37.142 5.497 -10.924 1.00 0.00 O ATOM 388 CB ILE A 25 35.743 3.919 -8.324 1.00 0.00 C ATOM 389 CG1 ILE A 25 35.806 3.994 -6.797 1.00 0.00 C ATOM 390 CG2 ILE A 25 36.900 3.038 -8.820 1.00 0.00 C ATOM 391 CD1 ILE A 25 35.414 2.640 -6.200 1.00 0.00 C ATOM 0 H ILE A 25 33.796 5.532 -8.372 1.00 0.00 H new ATOM 0 HA ILE A 25 36.724 5.833 -8.448 1.00 0.00 H new ATOM 0 HB ILE A 25 34.800 3.484 -8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.812 4.266 -6.477 1.00 0.00 H new ATOM 0 HG13 ILE A 25 35.134 4.772 -6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 25 36.799 2.036 -8.403 1.00 0.00 H new ATOM 0 HG22 ILE A 25 36.874 2.983 -9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 25 37.849 3.470 -8.501 1.00 0.00 H new ATOM 0 HD11 ILE A 25 35.459 2.695 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 25 34.400 2.386 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 25 36.103 1.873 -6.554 1.00 0.00 H new ATOM 403 N THR A 26 34.994 5.069 -11.159 1.00 0.00 N ATOM 404 CA THR A 26 35.103 5.014 -12.649 1.00 0.00 C ATOM 405 C THR A 26 35.617 6.353 -13.190 1.00 0.00 C ATOM 406 O THR A 26 36.276 6.405 -14.211 1.00 0.00 O ATOM 407 CB THR A 26 33.725 4.726 -13.248 1.00 0.00 C ATOM 408 OG1 THR A 26 33.143 3.611 -12.586 1.00 0.00 O ATOM 409 CG2 THR A 26 33.870 4.419 -14.739 1.00 0.00 C ATOM 0 H THR A 26 34.057 4.906 -10.790 1.00 0.00 H new ATOM 0 HA THR A 26 35.801 4.224 -12.925 1.00 0.00 H new ATOM 0 HB THR A 26 33.084 5.598 -13.119 1.00 0.00 H new ATOM 0 HG1 THR A 26 32.260 3.428 -12.969 1.00 0.00 H new ATOM 0 HG21 THR A 26 32.888 4.214 -15.165 1.00 0.00 H new ATOM 0 HG22 THR A 26 34.314 5.276 -15.245 1.00 0.00 H new ATOM 0 HG23 THR A 26 34.512 3.548 -14.870 1.00 0.00 H new