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 107:sc= 1.16 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 103:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 9.960 -2.189 0.852 1.00 0.00 N ATOM 109 CA LEU A 7 11.173 -2.828 1.449 1.00 0.00 C ATOM 110 C LEU A 7 12.363 -2.757 0.482 1.00 0.00 C ATOM 111 O LEU A 7 13.468 -2.435 0.876 1.00 0.00 O ATOM 112 CB LEU A 7 10.861 -4.296 1.759 1.00 0.00 C ATOM 113 CG LEU A 7 11.618 -4.738 3.025 1.00 0.00 C ATOM 114 CD1 LEU A 7 10.634 -5.340 4.032 1.00 0.00 C ATOM 115 CD2 LEU A 7 12.667 -5.792 2.659 1.00 0.00 C ATOM 0 HA LEU A 7 11.437 -2.294 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 7 9.788 -4.426 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.148 -4.924 0.915 1.00 0.00 H new ATOM 0 HG LEU A 7 12.109 -3.870 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 7 11.174 -5.652 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.886 -4.594 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.141 -6.204 3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.200 -6.102 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.174 -6.656 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.374 -5.369 1.945 1.00 0.00 H new ATOM 127 N SER A 8 12.151 -3.072 -0.771 1.00 0.00 N ATOM 128 CA SER A 8 13.277 -3.045 -1.760 1.00 0.00 C ATOM 129 C SER A 8 13.856 -1.625 -1.905 1.00 0.00 C ATOM 130 O SER A 8 14.924 -1.447 -2.461 1.00 0.00 O ATOM 131 CB SER A 8 12.769 -3.529 -3.120 1.00 0.00 C ATOM 132 OG SER A 8 11.574 -2.837 -3.450 1.00 0.00 O ATOM 0 H SER A 8 11.247 -3.347 -1.154 1.00 0.00 H new ATOM 0 HA SER A 8 14.068 -3.702 -1.399 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.525 -3.357 -3.886 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.584 -4.603 -3.091 1.00 0.00 H new ATOM 0 HG SER A 8 11.248 -3.144 -4.322 1.00 0.00 H new ATOM 138 N ASP A 9 13.167 -0.616 -1.424 1.00 0.00 N ATOM 139 CA ASP A 9 13.684 0.783 -1.551 1.00 0.00 C ATOM 140 C ASP A 9 15.028 0.927 -0.817 1.00 0.00 C ATOM 141 O ASP A 9 16.079 0.958 -1.431 1.00 0.00 O ATOM 142 CB ASP A 9 12.658 1.757 -0.943 1.00 0.00 C ATOM 143 CG ASP A 9 12.047 2.630 -2.043 1.00 0.00 C ATOM 144 OD1 ASP A 9 12.806 3.221 -2.794 1.00 0.00 O ATOM 145 OD2 ASP A 9 10.831 2.695 -2.113 1.00 0.00 O ATOM 0 H ASP A 9 12.269 -0.702 -0.949 1.00 0.00 H new ATOM 0 HA ASP A 9 13.836 1.013 -2.606 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.873 1.199 -0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.141 2.386 -0.195 1.00 0.00 H new ATOM 150 N ILE A 10 14.995 1.040 0.487 1.00 0.00 N ATOM 151 CA ILE A 10 16.258 1.213 1.270 1.00 0.00 C ATOM 152 C ILE A 10 17.193 0.013 1.063 1.00 0.00 C ATOM 153 O ILE A 10 18.399 0.151 1.123 1.00 0.00 O ATOM 154 CB ILE A 10 15.920 1.352 2.762 1.00 0.00 C ATOM 155 CG1 ILE A 10 14.974 2.540 2.969 1.00 0.00 C ATOM 156 CG2 ILE A 10 17.205 1.592 3.563 1.00 0.00 C ATOM 157 CD1 ILE A 10 14.514 2.577 4.429 1.00 0.00 C ATOM 0 H ILE A 10 14.142 1.020 1.047 1.00 0.00 H new ATOM 0 HA ILE A 10 16.765 2.112 0.921 1.00 0.00 H new ATOM 0 HB ILE A 10 15.439 0.435 3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.480 3.471 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.112 2.452 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 10 16.961 1.690 4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 10 17.883 0.750 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 10 17.685 2.507 3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.841 3.422 4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.992 1.651 4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.381 2.685 5.081 1.00 0.00 H new ATOM 169 N THR A 11 16.654 -1.157 0.837 1.00 0.00 N ATOM 170 CA THR A 11 17.520 -2.365 0.645 1.00 0.00 C ATOM 171 C THR A 11 18.475 -2.159 -0.537 1.00 0.00 C ATOM 172 O THR A 11 19.652 -2.461 -0.452 1.00 0.00 O ATOM 173 CB THR A 11 16.635 -3.582 0.366 1.00 0.00 C ATOM 174 OG1 THR A 11 15.609 -3.656 1.345 1.00 0.00 O ATOM 175 CG2 THR A 11 17.482 -4.854 0.415 1.00 0.00 C ATOM 0 H THR A 11 15.651 -1.331 0.777 1.00 0.00 H new ATOM 0 HA THR A 11 18.105 -2.524 1.551 1.00 0.00 H new ATOM 0 HB THR A 11 16.187 -3.485 -0.623 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.754 -3.398 0.942 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.850 -5.720 0.216 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.268 -4.797 -0.339 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.933 -4.953 1.402 1.00 0.00 H new ATOM 183 N ASP A 12 17.975 -1.661 -1.638 1.00 0.00 N ATOM 184 CA ASP A 12 18.843 -1.447 -2.834 1.00 0.00 C ATOM 185 C ASP A 12 19.873 -0.353 -2.539 1.00 0.00 C ATOM 186 O ASP A 12 21.000 -0.412 -2.995 1.00 0.00 O ATOM 187 CB ASP A 12 17.971 -1.028 -4.023 1.00 0.00 C ATOM 188 CG ASP A 12 17.707 -2.239 -4.922 1.00 0.00 C ATOM 189 OD1 ASP A 12 17.521 -3.319 -4.387 1.00 0.00 O ATOM 190 OD2 ASP A 12 17.696 -2.065 -6.129 1.00 0.00 O ATOM 0 H ASP A 12 16.999 -1.392 -1.761 1.00 0.00 H new ATOM 0 HA ASP A 12 19.366 -2.373 -3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 12 17.027 -0.615 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 12 18.468 -0.242 -4.592 1.00 0.00 H new ATOM 195 N VAL A 13 19.491 0.643 -1.785 1.00 0.00 N ATOM 196 CA VAL A 13 20.441 1.750 -1.459 1.00 0.00 C ATOM 197 C VAL A 13 21.531 1.244 -0.505 1.00 0.00 C ATOM 198 O VAL A 13 22.613 1.797 -0.447 1.00 0.00 O ATOM 199 CB VAL A 13 19.688 2.908 -0.802 1.00 0.00 C ATOM 200 CG1 VAL A 13 20.610 4.126 -0.715 1.00 0.00 C ATOM 201 CG2 VAL A 13 18.454 3.269 -1.635 1.00 0.00 C ATOM 0 H VAL A 13 18.560 0.739 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 13 20.904 2.097 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 13 19.372 2.609 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.077 4.953 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.487 3.876 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 13 20.924 4.417 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 13 17.923 4.094 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 13 18.765 3.566 -2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 13 17.794 2.404 -1.702 1.00 0.00 H new ATOM 211 N ILE A 14 21.257 0.200 0.242 1.00 0.00 N ATOM 212 CA ILE A 14 22.281 -0.338 1.191 1.00 0.00 C ATOM 213 C ILE A 14 23.356 -1.095 0.396 1.00 0.00 C ATOM 214 O ILE A 14 24.522 -1.088 0.752 1.00 0.00 O ATOM 215 CB ILE A 14 21.596 -1.276 2.206 1.00 0.00 C ATOM 216 CG1 ILE A 14 20.688 -0.453 3.123 1.00 0.00 C ATOM 217 CG2 ILE A 14 22.644 -1.995 3.070 1.00 0.00 C ATOM 218 CD1 ILE A 14 19.713 -1.386 3.843 1.00 0.00 C ATOM 0 H ILE A 14 20.369 -0.302 0.235 1.00 0.00 H new ATOM 0 HA ILE A 14 22.754 0.479 1.735 1.00 0.00 H new ATOM 0 HB ILE A 14 21.014 -2.016 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 14 21.287 0.095 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.138 0.286 2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 14 22.142 -2.652 3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.300 -2.586 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 14 23.235 -1.258 3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 14 19.066 -0.801 4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 14 19.105 -1.914 3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.272 -2.108 4.438 1.00 0.00 H new ATOM 230 N PHE A 15 22.970 -1.748 -0.669 1.00 0.00 N ATOM 231 CA PHE A 15 23.965 -2.510 -1.481 1.00 0.00 C ATOM 232 C PHE A 15 24.967 -1.543 -2.115 1.00 0.00 C ATOM 233 O PHE A 15 26.165 -1.706 -1.980 1.00 0.00 O ATOM 234 CB PHE A 15 23.245 -3.288 -2.582 1.00 0.00 C ATOM 235 CG PHE A 15 24.218 -4.247 -3.221 1.00 0.00 C ATOM 236 CD1 PHE A 15 25.119 -3.788 -4.189 1.00 0.00 C ATOM 237 CD2 PHE A 15 24.226 -5.595 -2.840 1.00 0.00 C ATOM 238 CE1 PHE A 15 26.027 -4.675 -4.778 1.00 0.00 C ATOM 239 CE2 PHE A 15 25.135 -6.482 -3.429 1.00 0.00 C ATOM 240 CZ PHE A 15 26.035 -6.023 -4.397 1.00 0.00 C ATOM 0 H PHE A 15 22.010 -1.787 -1.011 1.00 0.00 H new ATOM 0 HA PHE A 15 24.495 -3.206 -0.831 1.00 0.00 H new ATOM 0 HB2 PHE A 15 22.398 -3.833 -2.166 1.00 0.00 H new ATOM 0 HB3 PHE A 15 22.847 -2.602 -3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 15 25.113 -2.748 -4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 15 23.532 -5.950 -2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 15 26.721 -4.321 -5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 15 25.142 -7.521 -3.136 1.00 0.00 H new ATOM 0 HZ PHE A 15 26.736 -6.708 -4.851 1.00 0.00 H new ATOM 250 N ILE A 16 24.486 -0.542 -2.807 1.00 0.00 N ATOM 251 CA ILE A 16 25.409 0.436 -3.457 1.00 0.00 C ATOM 252 C ILE A 16 26.190 1.202 -2.384 1.00 0.00 C ATOM 253 O ILE A 16 27.290 1.664 -2.623 1.00 0.00 O ATOM 254 CB ILE A 16 24.602 1.428 -4.304 1.00 0.00 C ATOM 255 CG1 ILE A 16 23.713 0.668 -5.305 1.00 0.00 C ATOM 256 CG2 ILE A 16 25.561 2.349 -5.066 1.00 0.00 C ATOM 257 CD1 ILE A 16 24.573 -0.214 -6.219 1.00 0.00 C ATOM 0 H ILE A 16 23.493 -0.360 -2.950 1.00 0.00 H new ATOM 0 HA ILE A 16 26.106 -0.104 -4.098 1.00 0.00 H new ATOM 0 HB ILE A 16 23.968 2.023 -3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 16 22.993 0.052 -4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 16 23.142 1.376 -5.905 1.00 0.00 H new ATOM 0 HG21 ILE A 16 24.987 3.054 -5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 16 26.180 2.898 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 16 26.199 1.751 -5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 16 23.931 -0.745 -6.921 1.00 0.00 H new ATOM 0 HD12 ILE A 16 25.276 0.410 -6.771 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.124 -0.935 -5.615 1.00 0.00 H new ATOM 269 N TYR A 17 25.630 1.343 -1.209 1.00 0.00 N ATOM 270 CA TYR A 17 26.336 2.083 -0.120 1.00 0.00 C ATOM 271 C TYR A 17 27.657 1.378 0.208 1.00 0.00 C ATOM 272 O TYR A 17 28.651 2.015 0.502 1.00 0.00 O ATOM 273 CB TYR A 17 25.444 2.124 1.128 1.00 0.00 C ATOM 274 CG TYR A 17 26.118 2.920 2.226 1.00 0.00 C ATOM 275 CD1 TYR A 17 26.663 4.184 1.953 1.00 0.00 C ATOM 276 CD2 TYR A 17 26.197 2.392 3.520 1.00 0.00 C ATOM 277 CE1 TYR A 17 27.285 4.914 2.972 1.00 0.00 C ATOM 278 CE2 TYR A 17 26.819 3.123 4.539 1.00 0.00 C ATOM 279 CZ TYR A 17 27.363 4.383 4.265 1.00 0.00 C ATOM 280 OH TYR A 17 27.974 5.105 5.270 1.00 0.00 O ATOM 0 H TYR A 17 24.712 0.976 -0.957 1.00 0.00 H new ATOM 0 HA TYR A 17 26.547 3.101 -0.447 1.00 0.00 H new ATOM 0 HB2 TYR A 17 24.482 2.573 0.882 1.00 0.00 H new ATOM 0 HB3 TYR A 17 25.244 1.110 1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 17 26.602 4.594 0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 17 25.778 1.420 3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 17 27.705 5.887 2.761 1.00 0.00 H new ATOM 0 HE2 TYR A 17 26.879 2.714 5.537 1.00 0.00 H new ATOM 0 HH TYR A 17 27.942 4.594 6.106 1.00 0.00 H new ATOM 290 N PHE A 18 27.670 0.071 0.160 1.00 0.00 N ATOM 291 CA PHE A 18 28.922 -0.682 0.466 1.00 0.00 C ATOM 292 C PHE A 18 29.824 -0.729 -0.778 1.00 0.00 C ATOM 293 O PHE A 18 31.022 -0.913 -0.674 1.00 0.00 O ATOM 294 CB PHE A 18 28.559 -2.110 0.896 1.00 0.00 C ATOM 295 CG PHE A 18 28.710 -2.250 2.394 1.00 0.00 C ATOM 296 CD1 PHE A 18 27.729 -1.734 3.250 1.00 0.00 C ATOM 297 CD2 PHE A 18 29.830 -2.899 2.924 1.00 0.00 C ATOM 298 CE1 PHE A 18 27.870 -1.869 4.637 1.00 0.00 C ATOM 299 CE2 PHE A 18 29.972 -3.033 4.309 1.00 0.00 C ATOM 300 CZ PHE A 18 28.991 -2.519 5.166 1.00 0.00 C ATOM 0 H PHE A 18 26.865 -0.508 -0.079 1.00 0.00 H new ATOM 0 HA PHE A 18 29.458 -0.181 1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 18 27.535 -2.338 0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 18 29.204 -2.827 0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 18 26.864 -1.232 2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 18 30.586 -3.297 2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 18 27.114 -1.472 5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.838 -3.533 4.717 1.00 0.00 H new ATOM 0 HZ PHE A 18 29.099 -2.624 6.235 1.00 0.00 H new ATOM 310 N ALA A 19 29.256 -0.570 -1.950 1.00 0.00 N ATOM 311 CA ALA A 19 30.070 -0.606 -3.206 1.00 0.00 C ATOM 312 C ALA A 19 31.014 0.593 -3.241 1.00 0.00 C ATOM 313 O ALA A 19 32.193 0.470 -3.501 1.00 0.00 O ATOM 314 CB ALA A 19 29.131 -0.519 -4.408 1.00 0.00 C ATOM 0 H ALA A 19 28.258 -0.416 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 19 30.646 -1.531 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 19 29.715 -0.544 -5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 19 28.441 -1.363 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 19 28.566 0.412 -4.362 1.00 0.00 H new ATOM 320 N ALA A 20 30.484 1.755 -2.995 1.00 0.00 N ATOM 321 CA ALA A 20 31.306 3.007 -3.012 1.00 0.00 C ATOM 322 C ALA A 20 32.558 2.852 -2.143 1.00 0.00 C ATOM 323 O ALA A 20 33.654 3.202 -2.539 1.00 0.00 O ATOM 324 CB ALA A 20 30.464 4.143 -2.440 1.00 0.00 C ATOM 0 H ALA A 20 29.498 1.899 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 20 31.611 3.214 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.046 5.065 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 20 29.570 4.276 -3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 20 30.174 3.902 -1.418 1.00 0.00 H new ATOM 330 N LEU A 21 32.381 2.366 -0.951 1.00 0.00 N ATOM 331 CA LEU A 21 33.532 2.208 -0.008 1.00 0.00 C ATOM 332 C LEU A 21 34.274 0.881 -0.238 1.00 0.00 C ATOM 333 O LEU A 21 35.346 0.675 0.292 1.00 0.00 O ATOM 334 CB LEU A 21 33.012 2.229 1.433 1.00 0.00 C ATOM 335 CG LEU A 21 32.623 3.656 1.864 1.00 0.00 C ATOM 336 CD1 LEU A 21 33.809 4.612 1.692 1.00 0.00 C ATOM 337 CD2 LEU A 21 31.446 4.149 1.018 1.00 0.00 C ATOM 0 H LEU A 21 31.480 2.066 -0.580 1.00 0.00 H new ATOM 0 HA LEU A 21 34.225 3.031 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.147 1.572 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 21 33.777 1.839 2.104 1.00 0.00 H new ATOM 0 HG LEU A 21 32.336 3.634 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 21 33.516 5.615 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 21 34.643 4.272 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 21 34.113 4.630 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 21 31.174 5.159 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 21 31.731 4.155 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 21 30.593 3.485 1.159 1.00 0.00 H new ATOM 349 N SER A 22 33.715 -0.026 -0.998 1.00 0.00 N ATOM 350 CA SER A 22 34.392 -1.345 -1.235 1.00 0.00 C ATOM 351 C SER A 22 35.851 -1.150 -1.719 1.00 0.00 C ATOM 352 O SER A 22 36.750 -1.758 -1.175 1.00 0.00 O ATOM 353 CB SER A 22 33.589 -2.149 -2.269 1.00 0.00 C ATOM 354 OG SER A 22 34.432 -3.102 -2.909 1.00 0.00 O ATOM 0 H SER A 22 32.817 0.087 -1.467 1.00 0.00 H new ATOM 0 HA SER A 22 34.428 -1.892 -0.293 1.00 0.00 H new ATOM 0 HB2 SER A 22 32.758 -2.657 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 22 33.159 -1.476 -3.011 1.00 0.00 H new ATOM 0 HG SER A 22 33.911 -3.611 -3.565 1.00 0.00 H new ATOM 360 N PRO A 23 36.057 -0.325 -2.725 1.00 0.00 N ATOM 361 CA PRO A 23 37.408 -0.027 -3.328 1.00 0.00 C ATOM 362 C PRO A 23 38.214 0.910 -2.432 1.00 0.00 C ATOM 363 O PRO A 23 39.277 0.570 -1.956 1.00 0.00 O ATOM 364 CB PRO A 23 37.134 0.643 -4.662 1.00 0.00 C ATOM 365 CG PRO A 23 35.754 1.244 -4.571 1.00 0.00 C ATOM 366 CD PRO A 23 35.019 0.486 -3.468 1.00 0.00 C ATOM 0 HA PRO A 23 37.991 -0.941 -3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 23 37.878 1.412 -4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 23 37.188 -0.080 -5.476 1.00 0.00 H new ATOM 0 HG2 PRO A 23 35.809 2.308 -4.339 1.00 0.00 H new ATOM 0 HG3 PRO A 23 35.228 1.152 -5.521 1.00 0.00 H new ATOM 0 HD2 PRO A 23 34.515 1.178 -2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 23 34.252 -0.163 -3.891 1.00 0.00 H new ATOM 374 N ALA A 24 37.714 2.095 -2.220 1.00 0.00 N ATOM 375 CA ALA A 24 38.431 3.105 -1.368 1.00 0.00 C ATOM 376 C ALA A 24 38.925 2.479 -0.051 1.00 0.00 C ATOM 377 O ALA A 24 39.893 2.931 0.532 1.00 0.00 O ATOM 378 CB ALA A 24 37.471 4.252 -1.047 1.00 0.00 C ATOM 0 H ALA A 24 36.826 2.418 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 24 39.298 3.469 -1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 24 37.981 4.991 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 24 37.141 4.720 -1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 24 36.607 3.863 -0.509 1.00 0.00 H new ATOM 384 N ILE A 25 38.265 1.452 0.418 1.00 0.00 N ATOM 385 CA ILE A 25 38.686 0.799 1.696 1.00 0.00 C ATOM 386 C ILE A 25 39.695 -0.326 1.404 1.00 0.00 C ATOM 387 O ILE A 25 40.665 -0.491 2.119 1.00 0.00 O ATOM 388 CB ILE A 25 37.442 0.229 2.407 1.00 0.00 C ATOM 389 CG1 ILE A 25 36.503 1.383 2.798 1.00 0.00 C ATOM 390 CG2 ILE A 25 37.850 -0.547 3.671 1.00 0.00 C ATOM 391 CD1 ILE A 25 37.206 2.339 3.773 1.00 0.00 C ATOM 0 H ILE A 25 37.449 1.035 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 25 39.165 1.535 2.342 1.00 0.00 H new ATOM 0 HB ILE A 25 36.931 -0.452 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.194 1.927 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 25 35.599 0.984 3.258 1.00 0.00 H new ATOM 0 HG21 ILE A 25 36.959 -0.942 4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 25 38.508 -1.371 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 25 38.373 0.121 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 25 36.528 3.150 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 25 37.493 1.795 4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 25 38.097 2.752 3.299 1.00 0.00 H new ATOM 403 N THR A 26 39.470 -1.102 0.372 1.00 0.00 N ATOM 404 CA THR A 26 40.412 -2.218 0.050 1.00 0.00 C ATOM 405 C THR A 26 41.730 -1.641 -0.479 1.00 0.00 C ATOM 406 O THR A 26 42.762 -1.746 0.157 1.00 0.00 O ATOM 407 CB THR A 26 39.779 -3.129 -1.008 1.00 0.00 C ATOM 408 OG1 THR A 26 38.456 -3.460 -0.609 1.00 0.00 O ATOM 409 CG2 THR A 26 40.601 -4.412 -1.149 1.00 0.00 C ATOM 0 H THR A 26 38.675 -1.011 -0.261 1.00 0.00 H new ATOM 0 HA THR A 26 40.613 -2.798 0.951 1.00 0.00 H new ATOM 0 HB THR A 26 39.758 -2.609 -1.966 1.00 0.00 H new ATOM 0 HG1 THR A 26 37.816 -2.927 -1.125 1.00 0.00 H new ATOM 0 HG21 THR A 26 40.146 -5.055 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 26 41.618 -4.161 -1.452 1.00 0.00 H new ATOM 0 HG23 THR A 26 40.626 -4.935 -0.193 1.00 0.00 H new