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= 0.0428 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 57:sc= 1.02 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 12.023 -0.175 6.383 1.00 0.00 N ATOM 109 CA LEU A 7 13.278 -0.984 6.267 1.00 0.00 C ATOM 110 C LEU A 7 13.732 -1.054 4.805 1.00 0.00 C ATOM 111 O LEU A 7 14.895 -1.268 4.521 1.00 0.00 O ATOM 112 CB LEU A 7 13.034 -2.404 6.784 1.00 0.00 C ATOM 113 CG LEU A 7 14.324 -2.945 7.408 1.00 0.00 C ATOM 114 CD1 LEU A 7 13.984 -3.834 8.607 1.00 0.00 C ATOM 115 CD2 LEU A 7 15.088 -3.767 6.368 1.00 0.00 C ATOM 0 HA LEU A 7 14.054 -0.505 6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.232 -2.402 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.713 -3.050 5.967 1.00 0.00 H new ATOM 0 HG LEU A 7 14.941 -2.110 7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.904 -4.217 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.441 -3.250 9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.365 -4.668 8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 7 16.006 -4.152 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.468 -4.600 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.335 -3.135 5.515 1.00 0.00 H new ATOM 127 N SER A 8 12.824 -0.881 3.878 1.00 0.00 N ATOM 128 CA SER A 8 13.198 -0.941 2.435 1.00 0.00 C ATOM 129 C SER A 8 14.143 0.215 2.099 1.00 0.00 C ATOM 130 O SER A 8 15.108 0.051 1.376 1.00 0.00 O ATOM 131 CB SER A 8 11.934 -0.830 1.584 1.00 0.00 C ATOM 132 OG SER A 8 12.181 -1.382 0.298 1.00 0.00 O ATOM 0 H SER A 8 11.837 -0.700 4.061 1.00 0.00 H new ATOM 0 HA SER A 8 13.699 -1.886 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.110 -1.357 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.634 0.214 1.492 1.00 0.00 H new ATOM 0 HG SER A 8 11.371 -1.313 -0.249 1.00 0.00 H new ATOM 138 N ASP A 9 13.867 1.381 2.621 1.00 0.00 N ATOM 139 CA ASP A 9 14.734 2.566 2.343 1.00 0.00 C ATOM 140 C ASP A 9 16.164 2.288 2.816 1.00 0.00 C ATOM 141 O ASP A 9 17.125 2.650 2.163 1.00 0.00 O ATOM 142 CB ASP A 9 14.184 3.782 3.093 1.00 0.00 C ATOM 143 CG ASP A 9 14.471 5.054 2.294 1.00 0.00 C ATOM 144 OD1 ASP A 9 15.610 5.235 1.895 1.00 0.00 O ATOM 145 OD2 ASP A 9 13.548 5.827 2.095 1.00 0.00 O ATOM 0 H ASP A 9 13.072 1.565 3.233 1.00 0.00 H new ATOM 0 HA ASP A 9 14.740 2.762 1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.110 3.672 3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.642 3.850 4.080 1.00 0.00 H new ATOM 150 N ILE A 10 16.305 1.652 3.949 1.00 0.00 N ATOM 151 CA ILE A 10 17.666 1.354 4.479 1.00 0.00 C ATOM 152 C ILE A 10 18.363 0.328 3.579 1.00 0.00 C ATOM 153 O ILE A 10 19.565 0.363 3.412 1.00 0.00 O ATOM 154 CB ILE A 10 17.551 0.797 5.901 1.00 0.00 C ATOM 155 CG1 ILE A 10 16.763 1.779 6.774 1.00 0.00 C ATOM 156 CG2 ILE A 10 18.951 0.610 6.492 1.00 0.00 C ATOM 157 CD1 ILE A 10 16.522 1.155 8.150 1.00 0.00 C ATOM 0 H ILE A 10 15.534 1.326 4.531 1.00 0.00 H new ATOM 0 HA ILE A 10 18.254 2.272 4.495 1.00 0.00 H new ATOM 0 HB ILE A 10 17.034 -0.162 5.871 1.00 0.00 H new ATOM 0 HG12 ILE A 10 17.314 2.714 6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 10 15.812 2.021 6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 10 18.869 0.214 7.504 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.517 -0.087 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 10 19.466 1.570 6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.961 1.852 8.773 1.00 0.00 H new ATOM 0 HD12 ILE A 10 15.953 0.232 8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 10 17.479 0.935 8.623 1.00 0.00 H new ATOM 169 N THR A 11 17.622 -0.586 3.001 1.00 0.00 N ATOM 170 CA THR A 11 18.245 -1.621 2.114 1.00 0.00 C ATOM 171 C THR A 11 19.019 -0.946 0.977 1.00 0.00 C ATOM 172 O THR A 11 20.171 -1.255 0.736 1.00 0.00 O ATOM 173 CB THR A 11 17.146 -2.511 1.528 1.00 0.00 C ATOM 174 OG1 THR A 11 16.132 -2.712 2.504 1.00 0.00 O ATOM 175 CG2 THR A 11 17.737 -3.862 1.120 1.00 0.00 C ATOM 0 H THR A 11 16.610 -0.661 3.105 1.00 0.00 H new ATOM 0 HA THR A 11 18.936 -2.226 2.701 1.00 0.00 H new ATOM 0 HB THR A 11 16.718 -2.027 0.650 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.426 -3.280 2.130 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.951 -4.492 0.703 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.514 -3.708 0.371 1.00 0.00 H new ATOM 0 HG23 THR A 11 18.168 -4.350 1.994 1.00 0.00 H new ATOM 183 N ASP A 12 18.399 -0.027 0.280 1.00 0.00 N ATOM 184 CA ASP A 12 19.103 0.669 -0.840 1.00 0.00 C ATOM 185 C ASP A 12 20.317 1.424 -0.287 1.00 0.00 C ATOM 186 O ASP A 12 21.333 1.553 -0.945 1.00 0.00 O ATOM 187 CB ASP A 12 18.145 1.657 -1.511 1.00 0.00 C ATOM 188 CG ASP A 12 17.514 1.002 -2.742 1.00 0.00 C ATOM 189 OD1 ASP A 12 16.993 -0.093 -2.605 1.00 0.00 O ATOM 190 OD2 ASP A 12 17.564 1.606 -3.801 1.00 0.00 O ATOM 0 H ASP A 12 17.436 0.271 0.438 1.00 0.00 H new ATOM 0 HA ASP A 12 19.436 -0.065 -1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 12 17.368 1.960 -0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 12 18.682 2.560 -1.802 1.00 0.00 H new ATOM 195 N VAL A 13 20.213 1.917 0.919 1.00 0.00 N ATOM 196 CA VAL A 13 21.350 2.664 1.535 1.00 0.00 C ATOM 197 C VAL A 13 22.556 1.730 1.684 1.00 0.00 C ATOM 198 O VAL A 13 23.688 2.137 1.508 1.00 0.00 O ATOM 199 CB VAL A 13 20.933 3.185 2.911 1.00 0.00 C ATOM 200 CG1 VAL A 13 22.055 4.047 3.506 1.00 0.00 C ATOM 201 CG2 VAL A 13 19.659 4.026 2.776 1.00 0.00 C ATOM 0 H VAL A 13 19.384 1.834 1.508 1.00 0.00 H new ATOM 0 HA VAL A 13 21.620 3.505 0.896 1.00 0.00 H new ATOM 0 HB VAL A 13 20.743 2.339 3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 13 21.751 4.415 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 13 22.959 3.447 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 13 22.253 4.892 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 13 19.362 4.397 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 13 19.848 4.869 2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 13 18.859 3.411 2.364 1.00 0.00 H new ATOM 211 N ILE A 14 22.317 0.484 2.009 1.00 0.00 N ATOM 212 CA ILE A 14 23.442 -0.484 2.173 1.00 0.00 C ATOM 213 C ILE A 14 23.981 -0.886 0.782 1.00 0.00 C ATOM 214 O ILE A 14 25.090 -1.371 0.665 1.00 0.00 O ATOM 215 CB ILE A 14 22.932 -1.707 2.993 1.00 0.00 C ATOM 216 CG1 ILE A 14 23.237 -1.468 4.477 1.00 0.00 C ATOM 217 CG2 ILE A 14 23.612 -3.022 2.571 1.00 0.00 C ATOM 218 CD1 ILE A 14 22.126 -0.634 5.119 1.00 0.00 C ATOM 0 H ILE A 14 21.387 0.095 2.168 1.00 0.00 H new ATOM 0 HA ILE A 14 24.270 -0.035 2.721 1.00 0.00 H new ATOM 0 HB ILE A 14 21.862 -1.803 2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 14 23.330 -2.423 4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 14 24.193 -0.955 4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 14 23.222 -3.843 3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.408 -3.215 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 14 24.688 -2.940 2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 14 22.355 -0.472 6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 14 22.053 0.328 4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 14 21.177 -1.163 5.031 1.00 0.00 H new ATOM 230 N PHE A 15 23.212 -0.692 -0.264 1.00 0.00 N ATOM 231 CA PHE A 15 23.691 -1.067 -1.629 1.00 0.00 C ATOM 232 C PHE A 15 24.831 -0.131 -2.052 1.00 0.00 C ATOM 233 O PHE A 15 25.879 -0.573 -2.488 1.00 0.00 O ATOM 234 CB PHE A 15 22.534 -0.949 -2.624 1.00 0.00 C ATOM 235 CG PHE A 15 22.821 -1.801 -3.837 1.00 0.00 C ATOM 236 CD1 PHE A 15 23.037 -3.177 -3.690 1.00 0.00 C ATOM 237 CD2 PHE A 15 22.871 -1.216 -5.107 1.00 0.00 C ATOM 238 CE1 PHE A 15 23.303 -3.967 -4.815 1.00 0.00 C ATOM 239 CE2 PHE A 15 23.137 -2.007 -6.232 1.00 0.00 C ATOM 240 CZ PHE A 15 23.353 -3.382 -6.085 1.00 0.00 C ATOM 0 H PHE A 15 22.275 -0.291 -0.229 1.00 0.00 H new ATOM 0 HA PHE A 15 24.056 -2.094 -1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.603 -1.268 -2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 15 22.401 0.091 -2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 15 22.998 -3.628 -2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 15 22.705 -0.155 -5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 15 23.470 -5.028 -4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 15 23.175 -1.556 -7.213 1.00 0.00 H new ATOM 0 HZ PHE A 15 23.558 -3.992 -6.952 1.00 0.00 H new ATOM 250 N ILE A 16 24.633 1.158 -1.926 1.00 0.00 N ATOM 251 CA ILE A 16 25.699 2.132 -2.319 1.00 0.00 C ATOM 252 C ILE A 16 26.807 2.147 -1.260 1.00 0.00 C ATOM 253 O ILE A 16 27.966 2.348 -1.570 1.00 0.00 O ATOM 254 CB ILE A 16 25.087 3.533 -2.446 1.00 0.00 C ATOM 255 CG1 ILE A 16 23.892 3.486 -3.412 1.00 0.00 C ATOM 256 CG2 ILE A 16 26.141 4.508 -2.979 1.00 0.00 C ATOM 257 CD1 ILE A 16 22.580 3.477 -2.619 1.00 0.00 C ATOM 0 H ILE A 16 23.776 1.579 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 16 26.126 1.833 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 16 24.747 3.870 -1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 16 23.918 4.348 -4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 16 23.954 2.596 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 16 25.704 5.503 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 16 26.985 4.543 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 16 26.484 4.173 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.738 3.444 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 16 22.553 2.601 -1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 16 22.516 4.380 -2.012 1.00 0.00 H new ATOM 269 N TYR A 17 26.460 1.938 -0.014 1.00 0.00 N ATOM 270 CA TYR A 17 27.493 1.940 1.070 1.00 0.00 C ATOM 271 C TYR A 17 28.510 0.821 0.810 1.00 0.00 C ATOM 272 O TYR A 17 29.701 1.003 0.979 1.00 0.00 O ATOM 273 CB TYR A 17 26.808 1.712 2.428 1.00 0.00 C ATOM 274 CG TYR A 17 27.154 2.834 3.383 1.00 0.00 C ATOM 275 CD1 TYR A 17 28.489 3.072 3.735 1.00 0.00 C ATOM 276 CD2 TYR A 17 26.136 3.633 3.916 1.00 0.00 C ATOM 277 CE1 TYR A 17 28.804 4.110 4.621 1.00 0.00 C ATOM 278 CE2 TYR A 17 26.451 4.671 4.801 1.00 0.00 C ATOM 279 CZ TYR A 17 27.785 4.910 5.154 1.00 0.00 C ATOM 280 OH TYR A 17 28.094 5.934 6.026 1.00 0.00 O ATOM 0 H TYR A 17 25.505 1.766 0.300 1.00 0.00 H new ATOM 0 HA TYR A 17 28.009 2.900 1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 17 25.728 1.659 2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 17 27.125 0.757 2.847 1.00 0.00 H new ATOM 0 HD1 TYR A 17 29.275 2.456 3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 17 25.107 3.449 3.644 1.00 0.00 H new ATOM 0 HE1 TYR A 17 29.833 4.294 4.893 1.00 0.00 H new ATOM 0 HE2 TYR A 17 25.665 5.288 5.212 1.00 0.00 H new ATOM 0 HH TYR A 17 27.271 6.390 6.300 1.00 0.00 H new ATOM 290 N PHE A 18 28.044 -0.332 0.403 1.00 0.00 N ATOM 291 CA PHE A 18 28.971 -1.473 0.129 1.00 0.00 C ATOM 292 C PHE A 18 29.754 -1.201 -1.157 1.00 0.00 C ATOM 293 O PHE A 18 30.859 -1.671 -1.329 1.00 0.00 O ATOM 294 CB PHE A 18 28.155 -2.760 -0.033 1.00 0.00 C ATOM 295 CG PHE A 18 28.842 -3.896 0.692 1.00 0.00 C ATOM 296 CD1 PHE A 18 28.770 -3.983 2.087 1.00 0.00 C ATOM 297 CD2 PHE A 18 29.552 -4.860 -0.034 1.00 0.00 C ATOM 298 CE1 PHE A 18 29.408 -5.035 2.757 1.00 0.00 C ATOM 299 CE2 PHE A 18 30.189 -5.912 0.636 1.00 0.00 C ATOM 300 CZ PHE A 18 30.117 -5.999 2.031 1.00 0.00 C ATOM 0 H PHE A 18 27.056 -0.534 0.248 1.00 0.00 H new ATOM 0 HA PHE A 18 29.668 -1.583 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 18 27.150 -2.617 0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.048 -3.003 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 18 28.223 -3.239 2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.608 -4.792 -1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 18 29.353 -5.102 3.833 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.736 -6.656 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 18 30.609 -6.810 2.547 1.00 0.00 H new ATOM 310 N ALA A 19 29.179 -0.450 -2.060 1.00 0.00 N ATOM 311 CA ALA A 19 29.867 -0.132 -3.351 1.00 0.00 C ATOM 312 C ALA A 19 31.212 0.544 -3.079 1.00 0.00 C ATOM 313 O ALA A 19 32.219 0.231 -3.681 1.00 0.00 O ATOM 314 CB ALA A 19 28.992 0.835 -4.139 1.00 0.00 C ATOM 0 H ALA A 19 28.251 -0.038 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 19 30.032 -1.054 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 19 29.478 1.078 -5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 19 28.025 0.372 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 19 28.846 1.747 -3.561 1.00 0.00 H new ATOM 320 N ALA A 20 31.213 1.486 -2.182 1.00 0.00 N ATOM 321 CA ALA A 20 32.464 2.236 -1.833 1.00 0.00 C ATOM 322 C ALA A 20 33.621 1.277 -1.539 1.00 0.00 C ATOM 323 O ALA A 20 34.723 1.442 -2.027 1.00 0.00 O ATOM 324 CB ALA A 20 32.199 3.062 -0.579 1.00 0.00 C ATOM 0 H ALA A 20 30.386 1.779 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 20 32.737 2.868 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 20 33.099 3.615 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 20 31.386 3.763 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.922 2.400 0.241 1.00 0.00 H new ATOM 330 N LEU A 21 33.372 0.301 -0.718 1.00 0.00 N ATOM 331 CA LEU A 21 34.440 -0.677 -0.340 1.00 0.00 C ATOM 332 C LEU A 21 34.553 -1.808 -1.384 1.00 0.00 C ATOM 333 O LEU A 21 35.508 -2.561 -1.382 1.00 0.00 O ATOM 334 CB LEU A 21 34.090 -1.274 1.031 1.00 0.00 C ATOM 335 CG LEU A 21 35.301 -1.180 1.974 1.00 0.00 C ATOM 336 CD1 LEU A 21 34.838 -0.719 3.359 1.00 0.00 C ATOM 337 CD2 LEU A 21 35.971 -2.555 2.092 1.00 0.00 C ATOM 0 H LEU A 21 32.465 0.132 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 21 35.399 -0.160 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 21 33.242 -0.742 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 21 33.789 -2.315 0.917 1.00 0.00 H new ATOM 0 HG LEU A 21 36.015 -0.462 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 21 35.697 -0.653 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 21 34.365 0.260 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 21 34.121 -1.436 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 21 36.829 -2.486 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 21 35.257 -3.275 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 21 36.304 -2.883 1.107 1.00 0.00 H new ATOM 349 N SER A 22 33.589 -1.940 -2.262 1.00 0.00 N ATOM 350 CA SER A 22 33.627 -3.025 -3.296 1.00 0.00 C ATOM 351 C SER A 22 34.968 -3.049 -4.060 1.00 0.00 C ATOM 352 O SER A 22 35.552 -4.105 -4.205 1.00 0.00 O ATOM 353 CB SER A 22 32.478 -2.820 -4.284 1.00 0.00 C ATOM 354 OG SER A 22 31.250 -3.132 -3.640 1.00 0.00 O ATOM 0 H SER A 22 32.768 -1.336 -2.308 1.00 0.00 H new ATOM 0 HA SER A 22 33.522 -3.981 -2.783 1.00 0.00 H new ATOM 0 HB2 SER A 22 32.466 -1.789 -4.638 1.00 0.00 H new ATOM 0 HB3 SER A 22 32.616 -3.456 -5.159 1.00 0.00 H new ATOM 0 HG SER A 22 31.152 -2.579 -2.837 1.00 0.00 H new ATOM 360 N PRO A 23 35.430 -1.909 -4.534 1.00 0.00 N ATOM 361 CA PRO A 23 36.718 -1.770 -5.304 1.00 0.00 C ATOM 362 C PRO A 23 37.898 -1.976 -4.370 1.00 0.00 C ATOM 363 O PRO A 23 38.750 -2.806 -4.598 1.00 0.00 O ATOM 364 CB PRO A 23 36.732 -0.358 -5.861 1.00 0.00 C ATOM 365 CG PRO A 23 35.814 0.452 -4.986 1.00 0.00 C ATOM 366 CD PRO A 23 34.807 -0.534 -4.407 1.00 0.00 C ATOM 0 HA PRO A 23 36.790 -2.509 -6.102 1.00 0.00 H new ATOM 0 HB2 PRO A 23 37.741 0.054 -5.851 1.00 0.00 H new ATOM 0 HB3 PRO A 23 36.393 -0.346 -6.897 1.00 0.00 H new ATOM 0 HG2 PRO A 23 36.371 0.952 -4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 23 35.312 1.230 -5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 23 34.591 -0.301 -3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 23 33.861 -0.485 -4.947 1.00 0.00 H new ATOM 374 N ALA A 24 37.940 -1.212 -3.317 1.00 0.00 N ATOM 375 CA ALA A 24 39.056 -1.317 -2.314 1.00 0.00 C ATOM 376 C ALA A 24 39.349 -2.785 -1.960 1.00 0.00 C ATOM 377 O ALA A 24 40.462 -3.135 -1.613 1.00 0.00 O ATOM 378 CB ALA A 24 38.656 -0.570 -1.041 1.00 0.00 C ATOM 0 H ALA A 24 37.240 -0.504 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 24 39.954 -0.880 -2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 24 39.460 -0.642 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 24 38.472 0.478 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 24 37.750 -1.013 -0.629 1.00 0.00 H new ATOM 384 N ILE A 25 38.361 -3.640 -2.051 1.00 0.00 N ATOM 385 CA ILE A 25 38.578 -5.082 -1.727 1.00 0.00 C ATOM 386 C ILE A 25 39.254 -5.784 -2.917 1.00 0.00 C ATOM 387 O ILE A 25 40.172 -6.564 -2.743 1.00 0.00 O ATOM 388 CB ILE A 25 37.226 -5.752 -1.422 1.00 0.00 C ATOM 389 CG1 ILE A 25 36.578 -5.063 -0.215 1.00 0.00 C ATOM 390 CG2 ILE A 25 37.433 -7.245 -1.107 1.00 0.00 C ATOM 391 CD1 ILE A 25 35.062 -5.279 -0.254 1.00 0.00 C ATOM 0 H ILE A 25 37.412 -3.400 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 25 39.223 -5.163 -0.852 1.00 0.00 H new ATOM 0 HB ILE A 25 36.578 -5.659 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.989 -5.466 0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 25 36.804 -3.997 -0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 25 36.470 -7.709 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 25 37.890 -7.738 -1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 25 38.086 -7.347 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.602 -4.789 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 25 34.658 -4.855 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.846 -6.347 -0.221 1.00 0.00 H new ATOM 403 N THR A 26 38.800 -5.522 -4.120 1.00 0.00 N ATOM 404 CA THR A 26 39.408 -6.182 -5.319 1.00 0.00 C ATOM 405 C THR A 26 40.818 -5.635 -5.559 1.00 0.00 C ATOM 406 O THR A 26 41.797 -6.349 -5.455 1.00 0.00 O ATOM 407 CB THR A 26 38.543 -5.904 -6.554 1.00 0.00 C ATOM 408 OG1 THR A 26 37.196 -6.262 -6.277 1.00 0.00 O ATOM 409 CG2 THR A 26 39.056 -6.724 -7.745 1.00 0.00 C ATOM 0 H THR A 26 38.034 -4.879 -4.323 1.00 0.00 H new ATOM 0 HA THR A 26 39.462 -7.256 -5.142 1.00 0.00 H new ATOM 0 HB THR A 26 38.597 -4.843 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 26 36.641 -6.083 -7.065 1.00 0.00 H new ATOM 0 HG21 THR A 26 38.437 -6.522 -8.619 1.00 0.00 H new ATOM 0 HG22 THR A 26 40.088 -6.448 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 26 39.007 -7.786 -7.504 1.00 0.00 H new