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 -87:sc= 0.904 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 73:sc= 1 USER MOD Single : A 26 THR OG1 : rot 70:sc= 0.289 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 26.075 -10.672 -11.863 1.00 0.00 N ATOM 109 CA LEU A 7 25.537 -9.301 -11.610 1.00 0.00 C ATOM 110 C LEU A 7 24.834 -9.257 -10.250 1.00 0.00 C ATOM 111 O LEU A 7 24.779 -8.224 -9.607 1.00 0.00 O ATOM 112 CB LEU A 7 24.539 -8.936 -12.711 1.00 0.00 C ATOM 113 CG LEU A 7 24.621 -7.435 -12.998 1.00 0.00 C ATOM 114 CD1 LEU A 7 23.758 -7.089 -14.221 1.00 0.00 C ATOM 115 CD2 LEU A 7 24.120 -6.661 -11.775 1.00 0.00 C ATOM 0 HA LEU A 7 26.361 -8.588 -11.609 1.00 0.00 H new ATOM 0 HB2 LEU A 7 24.757 -9.502 -13.616 1.00 0.00 H new ATOM 0 HB3 LEU A 7 23.528 -9.203 -12.403 1.00 0.00 H new ATOM 0 HG LEU A 7 25.655 -7.160 -13.206 1.00 0.00 H new ATOM 0 HD11 LEU A 7 23.821 -6.019 -14.420 1.00 0.00 H new ATOM 0 HD12 LEU A 7 24.119 -7.641 -15.089 1.00 0.00 H new ATOM 0 HD13 LEU A 7 22.721 -7.361 -14.023 1.00 0.00 H new ATOM 0 HD21 LEU A 7 24.176 -5.591 -11.974 1.00 0.00 H new ATOM 0 HD22 LEU A 7 23.086 -6.938 -11.568 1.00 0.00 H new ATOM 0 HD23 LEU A 7 24.741 -6.903 -10.912 1.00 0.00 H new ATOM 127 N SER A 8 24.293 -10.364 -9.813 1.00 0.00 N ATOM 128 CA SER A 8 23.583 -10.393 -8.499 1.00 0.00 C ATOM 129 C SER A 8 24.576 -10.172 -7.351 1.00 0.00 C ATOM 130 O SER A 8 24.202 -9.726 -6.281 1.00 0.00 O ATOM 131 CB SER A 8 22.900 -11.749 -8.323 1.00 0.00 C ATOM 132 OG SER A 8 23.891 -12.760 -8.192 1.00 0.00 O ATOM 0 H SER A 8 24.312 -11.254 -10.312 1.00 0.00 H new ATOM 0 HA SER A 8 22.839 -9.596 -8.481 1.00 0.00 H new ATOM 0 HB2 SER A 8 22.259 -11.735 -7.441 1.00 0.00 H new ATOM 0 HB3 SER A 8 22.259 -11.960 -9.179 1.00 0.00 H new ATOM 0 HG SER A 8 23.457 -13.631 -8.077 1.00 0.00 H new ATOM 138 N ASP A 9 25.831 -10.486 -7.557 1.00 0.00 N ATOM 139 CA ASP A 9 26.840 -10.302 -6.469 1.00 0.00 C ATOM 140 C ASP A 9 27.170 -8.816 -6.300 1.00 0.00 C ATOM 141 O ASP A 9 27.281 -8.322 -5.193 1.00 0.00 O ATOM 142 CB ASP A 9 28.118 -11.067 -6.821 1.00 0.00 C ATOM 143 CG ASP A 9 28.760 -11.604 -5.539 1.00 0.00 C ATOM 144 OD1 ASP A 9 28.088 -12.325 -4.821 1.00 0.00 O ATOM 145 OD2 ASP A 9 29.912 -11.283 -5.297 1.00 0.00 O ATOM 0 H ASP A 9 26.200 -10.861 -8.431 1.00 0.00 H new ATOM 0 HA ASP A 9 26.426 -10.685 -5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.887 -11.890 -7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 9 28.815 -10.411 -7.343 1.00 0.00 H new ATOM 150 N ILE A 10 27.335 -8.104 -7.385 1.00 0.00 N ATOM 151 CA ILE A 10 27.669 -6.651 -7.291 1.00 0.00 C ATOM 152 C ILE A 10 26.477 -5.880 -6.715 1.00 0.00 C ATOM 153 O ILE A 10 26.631 -5.064 -5.826 1.00 0.00 O ATOM 154 CB ILE A 10 28.010 -6.117 -8.686 1.00 0.00 C ATOM 155 CG1 ILE A 10 29.125 -6.971 -9.317 1.00 0.00 C ATOM 156 CG2 ILE A 10 28.475 -4.662 -8.582 1.00 0.00 C ATOM 157 CD1 ILE A 10 30.374 -6.963 -8.426 1.00 0.00 C ATOM 0 H ILE A 10 27.253 -8.467 -8.335 1.00 0.00 H new ATOM 0 HA ILE A 10 28.527 -6.518 -6.633 1.00 0.00 H new ATOM 0 HB ILE A 10 27.121 -6.169 -9.314 1.00 0.00 H new ATOM 0 HG12 ILE A 10 28.775 -7.994 -9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 10 29.373 -6.584 -10.305 1.00 0.00 H new ATOM 0 HG21 ILE A 10 28.717 -4.285 -9.576 1.00 0.00 H new ATOM 0 HG22 ILE A 10 27.680 -4.056 -8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 10 29.360 -4.607 -7.948 1.00 0.00 H new ATOM 0 HD11 ILE A 10 31.153 -7.571 -8.886 1.00 0.00 H new ATOM 0 HD12 ILE A 10 30.733 -5.940 -8.311 1.00 0.00 H new ATOM 0 HD13 ILE A 10 30.125 -7.372 -7.447 1.00 0.00 H new ATOM 169 N THR A 11 25.293 -6.134 -7.211 1.00 0.00 N ATOM 170 CA THR A 11 24.088 -5.420 -6.691 1.00 0.00 C ATOM 171 C THR A 11 23.904 -5.750 -5.207 1.00 0.00 C ATOM 172 O THR A 11 23.491 -4.914 -4.426 1.00 0.00 O ATOM 173 CB THR A 11 22.853 -5.867 -7.478 1.00 0.00 C ATOM 174 OG1 THR A 11 23.009 -7.223 -7.877 1.00 0.00 O ATOM 175 CG2 THR A 11 22.687 -4.986 -8.718 1.00 0.00 C ATOM 0 H THR A 11 25.109 -6.807 -7.955 1.00 0.00 H new ATOM 0 HA THR A 11 24.219 -4.344 -6.808 1.00 0.00 H new ATOM 0 HB THR A 11 21.969 -5.773 -6.847 1.00 0.00 H new ATOM 0 HG1 THR A 11 23.493 -7.260 -8.728 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.807 -5.306 -9.277 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.565 -3.947 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.571 -5.077 -9.350 1.00 0.00 H new ATOM 183 N ASP A 12 24.218 -6.960 -4.816 1.00 0.00 N ATOM 184 CA ASP A 12 24.074 -7.349 -3.383 1.00 0.00 C ATOM 185 C ASP A 12 25.075 -6.553 -2.545 1.00 0.00 C ATOM 186 O ASP A 12 24.800 -6.179 -1.420 1.00 0.00 O ATOM 187 CB ASP A 12 24.353 -8.847 -3.233 1.00 0.00 C ATOM 188 CG ASP A 12 23.046 -9.628 -3.379 1.00 0.00 C ATOM 189 OD1 ASP A 12 22.056 -9.201 -2.808 1.00 0.00 O ATOM 190 OD2 ASP A 12 23.057 -10.641 -4.059 1.00 0.00 O ATOM 0 H ASP A 12 24.568 -7.695 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 12 23.061 -7.135 -3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 12 25.069 -9.172 -3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 12 24.802 -9.048 -2.260 1.00 0.00 H new ATOM 195 N VAL A 13 26.232 -6.288 -3.094 1.00 0.00 N ATOM 196 CA VAL A 13 27.263 -5.509 -2.349 1.00 0.00 C ATOM 197 C VAL A 13 26.754 -4.079 -2.135 1.00 0.00 C ATOM 198 O VAL A 13 26.999 -3.471 -1.111 1.00 0.00 O ATOM 199 CB VAL A 13 28.564 -5.489 -3.158 1.00 0.00 C ATOM 200 CG1 VAL A 13 29.640 -4.696 -2.407 1.00 0.00 C ATOM 201 CG2 VAL A 13 29.055 -6.926 -3.372 1.00 0.00 C ATOM 0 H VAL A 13 26.508 -6.580 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 13 27.453 -5.971 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 13 28.375 -5.014 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 13 30.560 -4.688 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 13 29.298 -3.672 -2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 13 29.828 -5.163 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 13 29.981 -6.912 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 13 29.236 -7.397 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 13 28.298 -7.492 -3.915 1.00 0.00 H new ATOM 211 N ILE A 14 26.046 -3.545 -3.097 1.00 0.00 N ATOM 212 CA ILE A 14 25.511 -2.157 -2.965 1.00 0.00 C ATOM 213 C ILE A 14 24.361 -2.139 -1.950 1.00 0.00 C ATOM 214 O ILE A 14 24.069 -1.120 -1.352 1.00 0.00 O ATOM 215 CB ILE A 14 25.005 -1.679 -4.335 1.00 0.00 C ATOM 216 CG1 ILE A 14 26.144 -1.758 -5.366 1.00 0.00 C ATOM 217 CG2 ILE A 14 24.503 -0.232 -4.234 1.00 0.00 C ATOM 218 CD1 ILE A 14 27.327 -0.881 -4.930 1.00 0.00 C ATOM 0 H ILE A 14 25.814 -4.014 -3.973 1.00 0.00 H new ATOM 0 HA ILE A 14 26.301 -1.492 -2.616 1.00 0.00 H new ATOM 0 HB ILE A 14 24.183 -2.321 -4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 14 26.471 -2.792 -5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 14 25.783 -1.432 -6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.146 0.098 -5.210 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.688 -0.179 -3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.318 0.414 -3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 14 28.123 -0.949 -5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 14 26.999 0.155 -4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 14 27.699 -1.225 -3.965 1.00 0.00 H new ATOM 230 N PHE A 15 23.705 -3.256 -1.756 1.00 0.00 N ATOM 231 CA PHE A 15 22.571 -3.310 -0.787 1.00 0.00 C ATOM 232 C PHE A 15 23.090 -3.110 0.640 1.00 0.00 C ATOM 233 O PHE A 15 22.613 -2.261 1.369 1.00 0.00 O ATOM 234 CB PHE A 15 21.892 -4.676 -0.891 1.00 0.00 C ATOM 235 CG PHE A 15 20.542 -4.625 -0.217 1.00 0.00 C ATOM 236 CD1 PHE A 15 19.463 -4.001 -0.854 1.00 0.00 C ATOM 237 CD2 PHE A 15 20.369 -5.206 1.045 1.00 0.00 C ATOM 238 CE1 PHE A 15 18.212 -3.956 -0.229 1.00 0.00 C ATOM 239 CE2 PHE A 15 19.118 -5.161 1.670 1.00 0.00 C ATOM 240 CZ PHE A 15 18.039 -4.536 1.034 1.00 0.00 C ATOM 0 H PHE A 15 23.908 -4.136 -2.230 1.00 0.00 H new ATOM 0 HA PHE A 15 21.858 -2.519 -1.021 1.00 0.00 H new ATOM 0 HB2 PHE A 15 21.776 -4.957 -1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 15 22.514 -5.439 -0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 15 19.596 -3.554 -1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 15 21.201 -5.689 1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 15 17.380 -3.474 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 15 18.985 -5.609 2.644 1.00 0.00 H new ATOM 0 HZ PHE A 15 17.074 -4.501 1.517 1.00 0.00 H new ATOM 250 N ILE A 16 24.057 -3.894 1.044 1.00 0.00 N ATOM 251 CA ILE A 16 24.606 -3.768 2.428 1.00 0.00 C ATOM 252 C ILE A 16 25.411 -2.469 2.563 1.00 0.00 C ATOM 253 O ILE A 16 25.587 -1.957 3.653 1.00 0.00 O ATOM 254 CB ILE A 16 25.513 -4.966 2.722 1.00 0.00 C ATOM 255 CG1 ILE A 16 24.733 -6.263 2.488 1.00 0.00 C ATOM 256 CG2 ILE A 16 25.980 -4.915 4.178 1.00 0.00 C ATOM 257 CD1 ILE A 16 25.715 -7.414 2.272 1.00 0.00 C ATOM 0 H ILE A 16 24.491 -4.619 0.473 1.00 0.00 H new ATOM 0 HA ILE A 16 23.781 -3.746 3.140 1.00 0.00 H new ATOM 0 HB ILE A 16 26.380 -4.932 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 16 24.091 -6.474 3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 16 24.083 -6.158 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.625 -5.769 4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 16 26.534 -3.992 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 16 25.114 -4.947 4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 16 25.161 -8.338 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 16 26.338 -7.202 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 16 26.347 -7.524 3.153 1.00 0.00 H new ATOM 269 N TYR A 17 25.902 -1.937 1.472 1.00 0.00 N ATOM 270 CA TYR A 17 26.696 -0.675 1.545 1.00 0.00 C ATOM 271 C TYR A 17 25.781 0.483 1.964 1.00 0.00 C ATOM 272 O TYR A 17 25.952 1.070 3.015 1.00 0.00 O ATOM 273 CB TYR A 17 27.312 -0.384 0.166 1.00 0.00 C ATOM 274 CG TYR A 17 28.817 -0.301 0.286 1.00 0.00 C ATOM 275 CD1 TYR A 17 29.567 -1.464 0.494 1.00 0.00 C ATOM 276 CD2 TYR A 17 29.459 0.940 0.193 1.00 0.00 C ATOM 277 CE1 TYR A 17 30.959 -1.387 0.610 1.00 0.00 C ATOM 278 CE2 TYR A 17 30.852 1.016 0.309 1.00 0.00 C ATOM 279 CZ TYR A 17 31.602 -0.147 0.518 1.00 0.00 C ATOM 280 OH TYR A 17 32.975 -0.072 0.634 1.00 0.00 O ATOM 0 H TYR A 17 25.787 -2.323 0.535 1.00 0.00 H new ATOM 0 HA TYR A 17 27.493 -0.783 2.281 1.00 0.00 H new ATOM 0 HB2 TYR A 17 27.037 -1.169 -0.539 1.00 0.00 H new ATOM 0 HB3 TYR A 17 26.917 0.552 -0.229 1.00 0.00 H new ATOM 0 HD1 TYR A 17 29.071 -2.421 0.565 1.00 0.00 H new ATOM 0 HD2 TYR A 17 28.880 1.837 0.032 1.00 0.00 H new ATOM 0 HE1 TYR A 17 31.538 -2.285 0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 17 31.348 1.973 0.237 1.00 0.00 H new ATOM 0 HH TYR A 17 33.260 0.861 0.546 1.00 0.00 H new ATOM 290 N PHE A 18 24.818 0.813 1.144 1.00 0.00 N ATOM 291 CA PHE A 18 23.889 1.935 1.475 1.00 0.00 C ATOM 292 C PHE A 18 23.136 1.640 2.781 1.00 0.00 C ATOM 293 O PHE A 18 22.647 2.541 3.434 1.00 0.00 O ATOM 294 CB PHE A 18 22.883 2.104 0.329 1.00 0.00 C ATOM 295 CG PHE A 18 23.267 3.297 -0.516 1.00 0.00 C ATOM 296 CD1 PHE A 18 23.297 4.576 0.052 1.00 0.00 C ATOM 297 CD2 PHE A 18 23.597 3.122 -1.865 1.00 0.00 C ATOM 298 CE1 PHE A 18 23.657 5.680 -0.729 1.00 0.00 C ATOM 299 CE2 PHE A 18 23.958 4.226 -2.647 1.00 0.00 C ATOM 300 CZ PHE A 18 23.988 5.506 -2.078 1.00 0.00 C ATOM 0 H PHE A 18 24.634 0.351 0.254 1.00 0.00 H new ATOM 0 HA PHE A 18 24.465 2.851 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 18 22.862 1.203 -0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 18 21.879 2.239 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 18 23.042 4.711 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 18 23.573 2.135 -2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 18 23.679 6.667 -0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 18 24.213 4.091 -3.688 1.00 0.00 H new ATOM 0 HZ PHE A 18 24.266 6.358 -2.680 1.00 0.00 H new ATOM 310 N ALA A 19 23.029 0.391 3.159 1.00 0.00 N ATOM 311 CA ALA A 19 22.300 0.039 4.416 1.00 0.00 C ATOM 312 C ALA A 19 23.089 0.526 5.636 1.00 0.00 C ATOM 313 O ALA A 19 22.605 1.308 6.428 1.00 0.00 O ATOM 314 CB ALA A 19 22.137 -1.479 4.495 1.00 0.00 C ATOM 0 H ALA A 19 23.417 -0.403 2.649 1.00 0.00 H new ATOM 0 HA ALA A 19 21.322 0.519 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 19 21.606 -1.741 5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.569 -1.829 3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 19 23.120 -1.951 4.498 1.00 0.00 H new ATOM 320 N ALA A 20 24.298 0.059 5.794 1.00 0.00 N ATOM 321 CA ALA A 20 25.137 0.475 6.962 1.00 0.00 C ATOM 322 C ALA A 20 25.309 1.993 6.976 1.00 0.00 C ATOM 323 O ALA A 20 25.232 2.635 8.005 1.00 0.00 O ATOM 324 CB ALA A 20 26.514 -0.162 6.824 1.00 0.00 C ATOM 0 H ALA A 20 24.748 -0.600 5.158 1.00 0.00 H new ATOM 0 HA ALA A 20 24.649 0.157 7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 20 27.137 0.132 7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 20 26.413 -1.247 6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 20 26.978 0.173 5.896 1.00 0.00 H new ATOM 330 N LEU A 21 25.581 2.550 5.836 1.00 0.00 N ATOM 331 CA LEU A 21 25.803 4.023 5.731 1.00 0.00 C ATOM 332 C LEU A 21 24.492 4.804 5.920 1.00 0.00 C ATOM 333 O LEU A 21 24.512 5.969 6.263 1.00 0.00 O ATOM 334 CB LEU A 21 26.384 4.337 4.352 1.00 0.00 C ATOM 335 CG LEU A 21 27.821 3.818 4.277 1.00 0.00 C ATOM 336 CD1 LEU A 21 28.144 3.407 2.840 1.00 0.00 C ATOM 337 CD2 LEU A 21 28.785 4.921 4.718 1.00 0.00 C ATOM 0 H LEU A 21 25.661 2.043 4.954 1.00 0.00 H new ATOM 0 HA LEU A 21 26.493 4.326 6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 21 25.777 3.873 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.364 5.412 4.173 1.00 0.00 H new ATOM 0 HG LEU A 21 27.928 2.955 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 21 29.168 3.038 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 21 27.458 2.621 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 21 28.036 4.269 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 21 29.809 4.552 4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 21 28.676 5.784 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 21 28.558 5.214 5.743 1.00 0.00 H new ATOM 349 N SER A 22 23.355 4.189 5.696 1.00 0.00 N ATOM 350 CA SER A 22 22.048 4.920 5.859 1.00 0.00 C ATOM 351 C SER A 22 21.968 5.615 7.235 1.00 0.00 C ATOM 352 O SER A 22 21.809 6.818 7.295 1.00 0.00 O ATOM 353 CB SER A 22 20.884 3.938 5.719 1.00 0.00 C ATOM 354 OG SER A 22 20.435 3.931 4.371 1.00 0.00 O ATOM 0 H SER A 22 23.271 3.214 5.408 1.00 0.00 H new ATOM 0 HA SER A 22 21.987 5.681 5.081 1.00 0.00 H new ATOM 0 HB2 SER A 22 21.200 2.937 6.014 1.00 0.00 H new ATOM 0 HB3 SER A 22 20.069 4.225 6.384 1.00 0.00 H new ATOM 0 HG SER A 22 21.091 3.467 3.810 1.00 0.00 H new ATOM 360 N PRO A 23 22.077 4.851 8.303 1.00 0.00 N ATOM 361 CA PRO A 23 22.020 5.346 9.732 1.00 0.00 C ATOM 362 C PRO A 23 23.224 6.223 10.058 1.00 0.00 C ATOM 363 O PRO A 23 23.090 7.368 10.443 1.00 0.00 O ATOM 364 CB PRO A 23 22.021 4.103 10.610 1.00 0.00 C ATOM 365 CG PRO A 23 22.618 2.998 9.779 1.00 0.00 C ATOM 366 CD PRO A 23 22.286 3.350 8.334 1.00 0.00 C ATOM 0 HA PRO A 23 21.132 5.956 9.897 1.00 0.00 H new ATOM 0 HB2 PRO A 23 22.605 4.267 11.516 1.00 0.00 H new ATOM 0 HB3 PRO A 23 21.009 3.849 10.925 1.00 0.00 H new ATOM 0 HG2 PRO A 23 23.696 2.932 9.929 1.00 0.00 H new ATOM 0 HG3 PRO A 23 22.198 2.030 10.053 1.00 0.00 H new ATOM 0 HD2 PRO A 23 23.095 3.056 7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 23 21.391 2.825 8.001 1.00 0.00 H new ATOM 374 N ALA A 24 24.396 5.678 9.924 1.00 0.00 N ATOM 375 CA ALA A 24 25.650 6.445 10.235 1.00 0.00 C ATOM 376 C ALA A 24 25.643 7.829 9.562 1.00 0.00 C ATOM 377 O ALA A 24 26.266 8.758 10.043 1.00 0.00 O ATOM 378 CB ALA A 24 26.859 5.653 9.737 1.00 0.00 C ATOM 0 H ALA A 24 24.550 4.720 9.608 1.00 0.00 H new ATOM 0 HA ALA A 24 25.704 6.589 11.314 1.00 0.00 H new ATOM 0 HB1 ALA A 24 27.772 6.205 9.960 1.00 0.00 H new ATOM 0 HB2 ALA A 24 26.890 4.684 10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 24 26.778 5.505 8.660 1.00 0.00 H new ATOM 384 N ILE A 25 24.955 7.971 8.457 1.00 0.00 N ATOM 385 CA ILE A 25 24.919 9.293 7.757 1.00 0.00 C ATOM 386 C ILE A 25 23.746 10.134 8.281 1.00 0.00 C ATOM 387 O ILE A 25 23.821 11.347 8.331 1.00 0.00 O ATOM 388 CB ILE A 25 24.772 9.072 6.241 1.00 0.00 C ATOM 389 CG1 ILE A 25 25.981 8.290 5.723 1.00 0.00 C ATOM 390 CG2 ILE A 25 24.708 10.424 5.515 1.00 0.00 C ATOM 391 CD1 ILE A 25 25.691 7.794 4.305 1.00 0.00 C ATOM 0 H ILE A 25 24.417 7.229 8.009 1.00 0.00 H new ATOM 0 HA ILE A 25 25.849 9.827 7.953 1.00 0.00 H new ATOM 0 HB ILE A 25 23.855 8.515 6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 25 26.867 8.925 5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 25 26.192 7.446 6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 25 24.604 10.257 4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 25 23.852 10.992 5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 25 25.623 10.984 5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 25 26.550 7.236 3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 25 24.815 7.145 4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 25 25.501 8.647 3.653 1.00 0.00 H new ATOM 403 N THR A 26 22.662 9.503 8.659 1.00 0.00 N ATOM 404 CA THR A 26 21.477 10.266 9.166 1.00 0.00 C ATOM 405 C THR A 26 21.875 11.144 10.360 1.00 0.00 C ATOM 406 O THR A 26 21.572 12.322 10.396 1.00 0.00 O ATOM 407 CB THR A 26 20.386 9.286 9.599 1.00 0.00 C ATOM 408 OG1 THR A 26 20.274 8.251 8.632 1.00 0.00 O ATOM 409 CG2 THR A 26 19.053 10.027 9.717 1.00 0.00 C ATOM 0 H THR A 26 22.545 8.490 8.639 1.00 0.00 H new ATOM 0 HA THR A 26 21.104 10.906 8.366 1.00 0.00 H new ATOM 0 HB THR A 26 20.644 8.853 10.566 1.00 0.00 H new ATOM 0 HG1 THR A 26 21.069 7.680 8.671 1.00 0.00 H new ATOM 0 HG21 THR A 26 18.275 9.329 10.026 1.00 0.00 H new ATOM 0 HG22 THR A 26 19.143 10.821 10.458 1.00 0.00 H new ATOM 0 HG23 THR A 26 18.790 10.459 8.752 1.00 0.00 H new