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 99:sc= 1.26 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= 0.0423 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 12.855 0.429 5.926 1.00 0.00 N ATOM 109 CA LEU A 7 13.410 -0.960 5.983 1.00 0.00 C ATOM 110 C LEU A 7 13.896 -1.441 4.605 1.00 0.00 C ATOM 111 O LEU A 7 14.967 -2.010 4.484 1.00 0.00 O ATOM 112 CB LEU A 7 12.315 -1.909 6.478 1.00 0.00 C ATOM 113 CG LEU A 7 12.947 -3.079 7.248 1.00 0.00 C ATOM 114 CD1 LEU A 7 12.738 -2.879 8.751 1.00 0.00 C ATOM 115 CD2 LEU A 7 12.287 -4.394 6.818 1.00 0.00 C ATOM 0 HA LEU A 7 14.264 -0.955 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.619 -1.371 7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.739 -2.287 5.633 1.00 0.00 H new ATOM 0 HG LEU A 7 14.014 -3.116 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 7 13.187 -3.710 9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.207 -1.946 9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.671 -2.838 8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.737 -5.223 7.365 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.219 -4.353 7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.435 -4.543 5.748 1.00 0.00 H new ATOM 127 N SER A 8 13.102 -1.265 3.580 1.00 0.00 N ATOM 128 CA SER A 8 13.496 -1.763 2.223 1.00 0.00 C ATOM 129 C SER A 8 14.497 -0.829 1.536 1.00 0.00 C ATOM 130 O SER A 8 15.560 -1.252 1.125 1.00 0.00 O ATOM 131 CB SER A 8 12.247 -1.883 1.350 1.00 0.00 C ATOM 132 OG SER A 8 11.278 -2.678 2.022 1.00 0.00 O ATOM 0 H SER A 8 12.196 -0.798 3.622 1.00 0.00 H new ATOM 0 HA SER A 8 13.975 -2.734 2.351 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.840 -0.894 1.140 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.502 -2.334 0.391 1.00 0.00 H new ATOM 0 HG SER A 8 10.475 -2.755 1.465 1.00 0.00 H new ATOM 138 N ASP A 9 14.152 0.418 1.372 1.00 0.00 N ATOM 139 CA ASP A 9 15.069 1.368 0.666 1.00 0.00 C ATOM 140 C ASP A 9 16.397 1.516 1.420 1.00 0.00 C ATOM 141 O ASP A 9 17.396 1.897 0.839 1.00 0.00 O ATOM 142 CB ASP A 9 14.389 2.737 0.536 1.00 0.00 C ATOM 143 CG ASP A 9 13.866 2.919 -0.891 1.00 0.00 C ATOM 144 OD1 ASP A 9 12.750 2.501 -1.151 1.00 0.00 O ATOM 145 OD2 ASP A 9 14.592 3.473 -1.700 1.00 0.00 O ATOM 0 H ASP A 9 13.274 0.824 1.695 1.00 0.00 H new ATOM 0 HA ASP A 9 15.284 0.968 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.567 2.815 1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 9 15.097 3.530 0.778 1.00 0.00 H new ATOM 150 N ILE A 10 16.425 1.225 2.697 1.00 0.00 N ATOM 151 CA ILE A 10 17.703 1.361 3.462 1.00 0.00 C ATOM 152 C ILE A 10 18.608 0.159 3.158 1.00 0.00 C ATOM 153 O ILE A 10 19.783 0.306 2.880 1.00 0.00 O ATOM 154 CB ILE A 10 17.392 1.476 4.974 1.00 0.00 C ATOM 155 CG1 ILE A 10 18.568 2.153 5.682 1.00 0.00 C ATOM 156 CG2 ILE A 10 17.134 0.107 5.621 1.00 0.00 C ATOM 157 CD1 ILE A 10 18.053 2.970 6.869 1.00 0.00 C ATOM 0 H ILE A 10 15.624 0.901 3.240 1.00 0.00 H new ATOM 0 HA ILE A 10 18.230 2.266 3.160 1.00 0.00 H new ATOM 0 HB ILE A 10 16.484 2.069 5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 10 19.279 1.402 6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 10 19.100 2.801 4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.921 0.240 6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.282 -0.370 5.136 1.00 0.00 H new ATOM 0 HG23 ILE A 10 18.016 -0.522 5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 10 18.892 3.451 7.371 1.00 0.00 H new ATOM 0 HD12 ILE A 10 17.359 3.731 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 10 17.540 2.311 7.570 1.00 0.00 H new ATOM 169 N THR A 11 18.057 -1.024 3.212 1.00 0.00 N ATOM 170 CA THR A 11 18.863 -2.249 2.931 1.00 0.00 C ATOM 171 C THR A 11 19.390 -2.204 1.494 1.00 0.00 C ATOM 172 O THR A 11 20.471 -2.683 1.207 1.00 0.00 O ATOM 173 CB THR A 11 17.986 -3.490 3.113 1.00 0.00 C ATOM 174 OG1 THR A 11 17.154 -3.317 4.252 1.00 0.00 O ATOM 175 CG2 THR A 11 18.871 -4.722 3.308 1.00 0.00 C ATOM 0 H THR A 11 17.078 -1.196 3.440 1.00 0.00 H new ATOM 0 HA THR A 11 19.705 -2.292 3.622 1.00 0.00 H new ATOM 0 HB THR A 11 17.367 -3.629 2.227 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.262 -3.031 3.965 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.244 -5.604 3.437 1.00 0.00 H new ATOM 0 HG22 THR A 11 19.508 -4.855 2.433 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.493 -4.587 4.193 1.00 0.00 H new ATOM 183 N ASP A 12 18.634 -1.631 0.592 1.00 0.00 N ATOM 184 CA ASP A 12 19.085 -1.551 -0.829 1.00 0.00 C ATOM 185 C ASP A 12 20.253 -0.571 -0.933 1.00 0.00 C ATOM 186 O ASP A 12 21.173 -0.767 -1.705 1.00 0.00 O ATOM 187 CB ASP A 12 17.926 -1.065 -1.707 1.00 0.00 C ATOM 188 CG ASP A 12 17.258 -2.264 -2.385 1.00 0.00 C ATOM 189 OD1 ASP A 12 17.976 -3.138 -2.839 1.00 0.00 O ATOM 190 OD2 ASP A 12 16.039 -2.285 -2.438 1.00 0.00 O ATOM 0 H ASP A 12 17.722 -1.214 0.780 1.00 0.00 H new ATOM 0 HA ASP A 12 19.405 -2.536 -1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 12 17.199 -0.525 -1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 12 18.294 -0.367 -2.459 1.00 0.00 H new ATOM 195 N VAL A 13 20.221 0.479 -0.156 1.00 0.00 N ATOM 196 CA VAL A 13 21.324 1.481 -0.192 1.00 0.00 C ATOM 197 C VAL A 13 22.609 0.829 0.331 1.00 0.00 C ATOM 198 O VAL A 13 23.691 1.102 -0.149 1.00 0.00 O ATOM 199 CB VAL A 13 20.941 2.678 0.683 1.00 0.00 C ATOM 200 CG1 VAL A 13 22.065 3.720 0.675 1.00 0.00 C ATOM 201 CG2 VAL A 13 19.660 3.316 0.136 1.00 0.00 C ATOM 0 H VAL A 13 19.473 0.686 0.506 1.00 0.00 H new ATOM 0 HA VAL A 13 21.489 1.825 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 13 20.780 2.334 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 13 21.781 4.566 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 13 22.979 3.272 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 13 22.235 4.064 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 13 19.384 4.169 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 13 19.829 3.652 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 13 18.854 2.582 0.149 1.00 0.00 H new ATOM 211 N ILE A 14 22.489 -0.030 1.309 1.00 0.00 N ATOM 212 CA ILE A 14 23.692 -0.710 1.875 1.00 0.00 C ATOM 213 C ILE A 14 24.125 -1.869 0.963 1.00 0.00 C ATOM 214 O ILE A 14 25.242 -2.344 1.047 1.00 0.00 O ATOM 215 CB ILE A 14 23.348 -1.253 3.266 1.00 0.00 C ATOM 216 CG1 ILE A 14 22.843 -0.106 4.146 1.00 0.00 C ATOM 217 CG2 ILE A 14 24.594 -1.871 3.907 1.00 0.00 C ATOM 218 CD1 ILE A 14 22.096 -0.678 5.352 1.00 0.00 C ATOM 0 H ILE A 14 21.604 -0.291 1.743 1.00 0.00 H new ATOM 0 HA ILE A 14 24.512 0.005 1.946 1.00 0.00 H new ATOM 0 HB ILE A 14 22.575 -2.016 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 14 23.681 0.506 4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.183 0.544 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.342 -2.255 4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 14 24.958 -2.687 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.370 -1.111 4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.737 0.139 5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 14 21.249 -1.271 5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.770 -1.310 5.931 1.00 0.00 H new ATOM 230 N PHE A 15 23.250 -2.335 0.103 1.00 0.00 N ATOM 231 CA PHE A 15 23.607 -3.470 -0.800 1.00 0.00 C ATOM 232 C PHE A 15 24.567 -2.996 -1.900 1.00 0.00 C ATOM 233 O PHE A 15 25.527 -3.672 -2.222 1.00 0.00 O ATOM 234 CB PHE A 15 22.325 -4.018 -1.439 1.00 0.00 C ATOM 235 CG PHE A 15 22.644 -5.240 -2.271 1.00 0.00 C ATOM 236 CD1 PHE A 15 23.348 -6.311 -1.706 1.00 0.00 C ATOM 237 CD2 PHE A 15 22.235 -5.300 -3.609 1.00 0.00 C ATOM 238 CE1 PHE A 15 23.642 -7.441 -2.479 1.00 0.00 C ATOM 239 CE2 PHE A 15 22.529 -6.429 -4.382 1.00 0.00 C ATOM 240 CZ PHE A 15 23.233 -7.500 -3.817 1.00 0.00 C ATOM 0 H PHE A 15 22.302 -1.976 -0.011 1.00 0.00 H new ATOM 0 HA PHE A 15 24.100 -4.250 -0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.603 -4.274 -0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 15 21.864 -3.253 -2.064 1.00 0.00 H new ATOM 0 HD1 PHE A 15 23.664 -6.265 -0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 15 21.692 -4.474 -4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 15 24.184 -8.267 -2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 15 22.213 -6.474 -5.414 1.00 0.00 H new ATOM 0 HZ PHE A 15 23.460 -8.371 -4.413 1.00 0.00 H new ATOM 250 N ILE A 16 24.307 -1.856 -2.489 1.00 0.00 N ATOM 251 CA ILE A 16 25.191 -1.355 -3.584 1.00 0.00 C ATOM 252 C ILE A 16 26.320 -0.484 -3.016 1.00 0.00 C ATOM 253 O ILE A 16 27.344 -0.310 -3.650 1.00 0.00 O ATOM 254 CB ILE A 16 24.357 -0.533 -4.572 1.00 0.00 C ATOM 255 CG1 ILE A 16 23.175 -1.374 -5.059 1.00 0.00 C ATOM 256 CG2 ILE A 16 25.223 -0.134 -5.769 1.00 0.00 C ATOM 257 CD1 ILE A 16 22.154 -0.469 -5.752 1.00 0.00 C ATOM 0 H ILE A 16 23.520 -1.250 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 16 25.636 -2.210 -4.093 1.00 0.00 H new ATOM 0 HB ILE A 16 23.989 0.365 -4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 16 23.522 -2.143 -5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.709 -1.887 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 16 24.627 0.451 -6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 16 26.067 0.463 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.592 -1.031 -6.266 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.312 -1.069 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.798 0.283 -5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 16 22.623 0.024 -6.603 1.00 0.00 H new ATOM 269 N TYR A 17 26.146 0.069 -1.841 1.00 0.00 N ATOM 270 CA TYR A 17 27.220 0.930 -1.257 1.00 0.00 C ATOM 271 C TYR A 17 28.399 0.057 -0.822 1.00 0.00 C ATOM 272 O TYR A 17 29.547 0.435 -0.964 1.00 0.00 O ATOM 273 CB TYR A 17 26.675 1.693 -0.048 1.00 0.00 C ATOM 274 CG TYR A 17 27.597 2.846 0.272 1.00 0.00 C ATOM 275 CD1 TYR A 17 28.736 2.635 1.058 1.00 0.00 C ATOM 276 CD2 TYR A 17 27.315 4.125 -0.222 1.00 0.00 C ATOM 277 CE1 TYR A 17 29.592 3.703 1.351 1.00 0.00 C ATOM 278 CE2 TYR A 17 28.171 5.194 0.071 1.00 0.00 C ATOM 279 CZ TYR A 17 29.310 4.983 0.857 1.00 0.00 C ATOM 280 OH TYR A 17 30.153 6.036 1.146 1.00 0.00 O ATOM 0 H TYR A 17 25.312 -0.038 -1.264 1.00 0.00 H new ATOM 0 HA TYR A 17 27.555 1.643 -2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 17 25.672 2.063 -0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 17 26.595 1.027 0.811 1.00 0.00 H new ATOM 0 HD1 TYR A 17 28.954 1.648 1.438 1.00 0.00 H new ATOM 0 HD2 TYR A 17 26.437 4.288 -0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 17 30.470 3.540 1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 17 27.952 6.181 -0.309 1.00 0.00 H new ATOM 0 HH TYR A 17 29.812 6.853 0.725 1.00 0.00 H new ATOM 290 N PHE A 18 28.123 -1.107 -0.293 1.00 0.00 N ATOM 291 CA PHE A 18 29.219 -2.013 0.157 1.00 0.00 C ATOM 292 C PHE A 18 29.655 -2.912 -1.005 1.00 0.00 C ATOM 293 O PHE A 18 30.790 -3.343 -1.074 1.00 0.00 O ATOM 294 CB PHE A 18 28.713 -2.884 1.308 1.00 0.00 C ATOM 295 CG PHE A 18 29.026 -2.212 2.624 1.00 0.00 C ATOM 296 CD1 PHE A 18 28.164 -1.233 3.133 1.00 0.00 C ATOM 297 CD2 PHE A 18 30.178 -2.568 3.335 1.00 0.00 C ATOM 298 CE1 PHE A 18 28.454 -0.611 4.353 1.00 0.00 C ATOM 299 CE2 PHE A 18 30.468 -1.946 4.555 1.00 0.00 C ATOM 300 CZ PHE A 18 29.606 -0.967 5.064 1.00 0.00 C ATOM 0 H PHE A 18 27.180 -1.470 -0.153 1.00 0.00 H new ATOM 0 HA PHE A 18 30.068 -1.417 0.491 1.00 0.00 H new ATOM 0 HB2 PHE A 18 27.638 -3.041 1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.183 -3.867 1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 18 27.275 -0.958 2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 18 30.843 -3.323 2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 18 27.789 0.144 4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.357 -2.221 5.104 1.00 0.00 H new ATOM 0 HZ PHE A 18 29.830 -0.487 6.005 1.00 0.00 H new ATOM 310 N ALA A 19 28.756 -3.201 -1.909 1.00 0.00 N ATOM 311 CA ALA A 19 29.096 -4.077 -3.069 1.00 0.00 C ATOM 312 C ALA A 19 30.107 -3.376 -3.980 1.00 0.00 C ATOM 313 O ALA A 19 31.151 -3.910 -4.290 1.00 0.00 O ATOM 314 CB ALA A 19 27.822 -4.358 -3.867 1.00 0.00 C ATOM 0 H ALA A 19 27.793 -2.865 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 19 29.529 -5.008 -2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 19 28.059 -4.997 -4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 19 27.095 -4.859 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 19 27.403 -3.418 -4.226 1.00 0.00 H new ATOM 320 N ALA A 20 29.781 -2.195 -4.425 1.00 0.00 N ATOM 321 CA ALA A 20 30.689 -1.437 -5.342 1.00 0.00 C ATOM 322 C ALA A 20 32.038 -1.153 -4.678 1.00 0.00 C ATOM 323 O ALA A 20 33.085 -1.380 -5.253 1.00 0.00 O ATOM 324 CB ALA A 20 30.033 -0.103 -5.687 1.00 0.00 C ATOM 0 H ALA A 20 28.913 -1.713 -4.191 1.00 0.00 H new ATOM 0 HA ALA A 20 30.858 -2.039 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 20 30.684 0.461 -6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 20 29.077 -0.284 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 20 29.868 0.469 -4.774 1.00 0.00 H new ATOM 330 N LEU A 21 32.011 -0.616 -3.493 1.00 0.00 N ATOM 331 CA LEU A 21 33.283 -0.263 -2.783 1.00 0.00 C ATOM 332 C LEU A 21 34.014 -1.516 -2.274 1.00 0.00 C ATOM 333 O LEU A 21 35.181 -1.456 -1.939 1.00 0.00 O ATOM 334 CB LEU A 21 32.957 0.641 -1.592 1.00 0.00 C ATOM 335 CG LEU A 21 32.682 2.062 -2.086 1.00 0.00 C ATOM 336 CD1 LEU A 21 32.182 2.918 -0.922 1.00 0.00 C ATOM 337 CD2 LEU A 21 33.973 2.666 -2.646 1.00 0.00 C ATOM 0 H LEU A 21 31.158 -0.402 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 21 33.935 0.249 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.088 0.256 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 21 33.788 0.645 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 21 31.924 2.035 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 21 31.986 3.931 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 21 31.263 2.488 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 21 32.940 2.946 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 21 33.778 3.679 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 21 34.731 2.694 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 21 34.330 2.056 -3.476 1.00 0.00 H new ATOM 349 N SER A 22 33.348 -2.641 -2.197 1.00 0.00 N ATOM 350 CA SER A 22 34.018 -3.884 -1.689 1.00 0.00 C ATOM 351 C SER A 22 35.278 -4.212 -2.523 1.00 0.00 C ATOM 352 O SER A 22 36.357 -4.300 -1.971 1.00 0.00 O ATOM 353 CB SER A 22 33.021 -5.050 -1.734 1.00 0.00 C ATOM 354 OG SER A 22 33.722 -6.288 -1.780 1.00 0.00 O ATOM 0 H SER A 22 32.370 -2.755 -2.463 1.00 0.00 H new ATOM 0 HA SER A 22 34.337 -3.721 -0.660 1.00 0.00 H new ATOM 0 HB2 SER A 22 32.375 -5.021 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 22 32.377 -4.955 -2.608 1.00 0.00 H new ATOM 0 HG SER A 22 33.079 -7.027 -1.807 1.00 0.00 H new ATOM 360 N PRO A 23 35.121 -4.386 -3.819 1.00 0.00 N ATOM 361 CA PRO A 23 36.233 -4.713 -4.791 1.00 0.00 C ATOM 362 C PRO A 23 37.182 -3.532 -4.939 1.00 0.00 C ATOM 363 O PRO A 23 38.376 -3.650 -4.759 1.00 0.00 O ATOM 364 CB PRO A 23 35.558 -5.003 -6.120 1.00 0.00 C ATOM 365 CG PRO A 23 34.219 -4.320 -6.071 1.00 0.00 C ATOM 366 CD PRO A 23 33.830 -4.292 -4.600 1.00 0.00 C ATOM 0 HA PRO A 23 36.822 -5.561 -4.442 1.00 0.00 H new ATOM 0 HB2 PRO A 23 36.156 -4.627 -6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 23 35.442 -6.076 -6.271 1.00 0.00 H new ATOM 0 HG2 PRO A 23 34.278 -3.312 -6.481 1.00 0.00 H new ATOM 0 HG3 PRO A 23 33.480 -4.862 -6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 23 33.294 -3.375 -4.357 1.00 0.00 H new ATOM 0 HD3 PRO A 23 33.167 -5.122 -4.357 1.00 0.00 H new ATOM 374 N ALA A 24 36.647 -2.398 -5.286 1.00 0.00 N ATOM 375 CA ALA A 24 37.483 -1.163 -5.477 1.00 0.00 C ATOM 376 C ALA A 24 38.470 -0.973 -4.311 1.00 0.00 C ATOM 377 O ALA A 24 39.526 -0.393 -4.474 1.00 0.00 O ATOM 378 CB ALA A 24 36.563 0.055 -5.552 1.00 0.00 C ATOM 0 H ALA A 24 35.649 -2.263 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 24 38.054 -1.272 -6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 24 37.162 0.955 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 24 35.878 -0.058 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 24 35.992 0.138 -4.627 1.00 0.00 H new ATOM 384 N ILE A 25 38.130 -1.459 -3.144 1.00 0.00 N ATOM 385 CA ILE A 25 39.042 -1.311 -1.969 1.00 0.00 C ATOM 386 C ILE A 25 40.133 -2.396 -2.028 1.00 0.00 C ATOM 387 O ILE A 25 41.289 -2.133 -1.753 1.00 0.00 O ATOM 388 CB ILE A 25 38.216 -1.432 -0.669 1.00 0.00 C ATOM 389 CG1 ILE A 25 37.329 -0.190 -0.525 1.00 0.00 C ATOM 390 CG2 ILE A 25 39.142 -1.526 0.556 1.00 0.00 C ATOM 391 CD1 ILE A 25 36.318 -0.411 0.604 1.00 0.00 C ATOM 0 H ILE A 25 37.258 -1.953 -2.954 1.00 0.00 H new ATOM 0 HA ILE A 25 39.525 -0.334 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 25 37.607 -2.335 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 25 37.943 0.685 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 25 36.807 0.007 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 25 38.541 -1.611 1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 25 39.782 -2.404 0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 25 39.761 -0.631 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 25 35.688 0.472 0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.696 -1.276 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 25 36.850 -0.587 1.539 1.00 0.00 H new ATOM 403 N THR A 26 39.772 -3.605 -2.374 1.00 0.00 N ATOM 404 CA THR A 26 40.782 -4.705 -2.440 1.00 0.00 C ATOM 405 C THR A 26 41.787 -4.425 -3.561 1.00 0.00 C ATOM 406 O THR A 26 42.963 -4.229 -3.318 1.00 0.00 O ATOM 407 CB THR A 26 40.071 -6.031 -2.718 1.00 0.00 C ATOM 408 OG1 THR A 26 38.790 -6.016 -2.103 1.00 0.00 O ATOM 409 CG2 THR A 26 40.897 -7.185 -2.149 1.00 0.00 C ATOM 0 H THR A 26 38.819 -3.879 -2.614 1.00 0.00 H new ATOM 0 HA THR A 26 41.311 -4.762 -1.489 1.00 0.00 H new ATOM 0 HB THR A 26 39.958 -6.165 -3.794 1.00 0.00 H new ATOM 0 HG1 THR A 26 38.332 -6.864 -2.281 1.00 0.00 H new ATOM 0 HG21 THR A 26 40.389 -8.129 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 26 41.880 -7.196 -2.620 1.00 0.00 H new ATOM 0 HG23 THR A 26 41.012 -7.054 -1.073 1.00 0.00 H new