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 94:sc= 1.14 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 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 7 30.400 14.604 5.783 1.00 0.00 N ATOM 109 CA LEU A 7 29.412 13.531 5.456 1.00 0.00 C ATOM 110 C LEU A 7 29.746 12.901 4.097 1.00 0.00 C ATOM 111 O LEU A 7 29.466 11.742 3.857 1.00 0.00 O ATOM 112 CB LEU A 7 28.008 14.147 5.400 1.00 0.00 C ATOM 113 CG LEU A 7 27.257 13.854 6.700 1.00 0.00 C ATOM 114 CD1 LEU A 7 25.964 14.669 6.729 1.00 0.00 C ATOM 115 CD2 LEU A 7 26.920 12.363 6.769 1.00 0.00 C ATOM 0 HA LEU A 7 29.452 12.758 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 7 28.080 15.224 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 7 27.457 13.740 4.552 1.00 0.00 H new ATOM 0 HG LEU A 7 27.881 14.125 7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 7 25.425 14.464 7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 7 26.202 15.731 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 7 25.341 14.394 5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 7 26.385 12.153 7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 7 26.294 12.092 5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 7 27.841 11.780 6.742 1.00 0.00 H new ATOM 127 N SER A 8 30.323 13.663 3.205 1.00 0.00 N ATOM 128 CA SER A 8 30.661 13.129 1.849 1.00 0.00 C ATOM 129 C SER A 8 31.583 11.905 1.951 1.00 0.00 C ATOM 130 O SER A 8 31.681 11.120 1.024 1.00 0.00 O ATOM 131 CB SER A 8 31.364 14.221 1.044 1.00 0.00 C ATOM 132 OG SER A 8 30.980 14.118 -0.321 1.00 0.00 O ATOM 0 H SER A 8 30.577 14.639 3.357 1.00 0.00 H new ATOM 0 HA SER A 8 29.738 12.825 1.356 1.00 0.00 H new ATOM 0 HB2 SER A 8 31.101 15.204 1.435 1.00 0.00 H new ATOM 0 HB3 SER A 8 32.445 14.120 1.138 1.00 0.00 H new ATOM 0 HG SER A 8 31.428 14.818 -0.841 1.00 0.00 H new ATOM 138 N ASP A 9 32.271 11.743 3.054 1.00 0.00 N ATOM 139 CA ASP A 9 33.201 10.582 3.199 1.00 0.00 C ATOM 140 C ASP A 9 32.419 9.285 3.436 1.00 0.00 C ATOM 141 O ASP A 9 32.499 8.355 2.655 1.00 0.00 O ATOM 142 CB ASP A 9 34.139 10.830 4.382 1.00 0.00 C ATOM 143 CG ASP A 9 34.966 12.091 4.123 1.00 0.00 C ATOM 144 OD1 ASP A 9 35.653 12.127 3.115 1.00 0.00 O ATOM 145 OD2 ASP A 9 34.898 12.999 4.936 1.00 0.00 O ATOM 0 H ASP A 9 32.228 12.366 3.861 1.00 0.00 H new ATOM 0 HA ASP A 9 33.776 10.479 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 9 33.562 10.943 5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 9 34.798 9.973 4.523 1.00 0.00 H new ATOM 150 N ILE A 10 31.681 9.211 4.513 1.00 0.00 N ATOM 151 CA ILE A 10 30.908 7.966 4.816 1.00 0.00 C ATOM 152 C ILE A 10 29.865 7.704 3.719 1.00 0.00 C ATOM 153 O ILE A 10 29.411 6.589 3.550 1.00 0.00 O ATOM 154 CB ILE A 10 30.200 8.116 6.168 1.00 0.00 C ATOM 155 CG1 ILE A 10 31.233 8.423 7.258 1.00 0.00 C ATOM 156 CG2 ILE A 10 29.471 6.815 6.520 1.00 0.00 C ATOM 157 CD1 ILE A 10 30.520 8.985 8.490 1.00 0.00 C ATOM 0 H ILE A 10 31.579 9.960 5.198 1.00 0.00 H new ATOM 0 HA ILE A 10 31.600 7.124 4.855 1.00 0.00 H new ATOM 0 HB ILE A 10 29.479 8.931 6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 10 31.780 7.518 7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 10 31.965 9.141 6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 10 28.970 6.927 7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 10 28.733 6.592 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 10 30.191 5.999 6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 10 31.253 9.204 9.266 1.00 0.00 H new ATOM 0 HD12 ILE A 10 29.993 9.900 8.220 1.00 0.00 H new ATOM 0 HD13 ILE A 10 29.805 8.252 8.863 1.00 0.00 H new ATOM 169 N THR A 11 29.471 8.717 2.989 1.00 0.00 N ATOM 170 CA THR A 11 28.446 8.519 1.919 1.00 0.00 C ATOM 171 C THR A 11 29.029 7.690 0.771 1.00 0.00 C ATOM 172 O THR A 11 28.422 6.737 0.320 1.00 0.00 O ATOM 173 CB THR A 11 27.998 9.882 1.383 1.00 0.00 C ATOM 174 OG1 THR A 11 27.661 10.731 2.472 1.00 0.00 O ATOM 175 CG2 THR A 11 26.779 9.698 0.477 1.00 0.00 C ATOM 0 H THR A 11 29.815 9.672 3.088 1.00 0.00 H new ATOM 0 HA THR A 11 27.593 7.989 2.342 1.00 0.00 H new ATOM 0 HB THR A 11 28.808 10.333 0.810 1.00 0.00 H new ATOM 0 HG1 THR A 11 28.440 11.273 2.717 1.00 0.00 H new ATOM 0 HG21 THR A 11 26.460 10.668 0.095 1.00 0.00 H new ATOM 0 HG22 THR A 11 27.041 9.048 -0.358 1.00 0.00 H new ATOM 0 HG23 THR A 11 25.967 9.247 1.047 1.00 0.00 H new ATOM 183 N ASP A 12 30.191 8.050 0.288 1.00 0.00 N ATOM 184 CA ASP A 12 30.808 7.289 -0.841 1.00 0.00 C ATOM 185 C ASP A 12 31.053 5.833 -0.424 1.00 0.00 C ATOM 186 O ASP A 12 30.900 4.919 -1.214 1.00 0.00 O ATOM 187 CB ASP A 12 32.138 7.946 -1.232 1.00 0.00 C ATOM 188 CG ASP A 12 32.265 7.991 -2.758 1.00 0.00 C ATOM 189 OD1 ASP A 12 32.101 6.953 -3.378 1.00 0.00 O ATOM 190 OD2 ASP A 12 32.523 9.064 -3.281 1.00 0.00 O ATOM 0 H ASP A 12 30.740 8.840 0.627 1.00 0.00 H new ATOM 0 HA ASP A 12 30.130 7.302 -1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 12 32.190 8.955 -0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 12 32.970 7.386 -0.805 1.00 0.00 H new ATOM 195 N VAL A 13 31.436 5.614 0.808 1.00 0.00 N ATOM 196 CA VAL A 13 31.701 4.220 1.281 1.00 0.00 C ATOM 197 C VAL A 13 30.395 3.419 1.288 1.00 0.00 C ATOM 198 O VAL A 13 30.362 2.269 0.894 1.00 0.00 O ATOM 199 CB VAL A 13 32.283 4.256 2.694 1.00 0.00 C ATOM 200 CG1 VAL A 13 32.680 2.841 3.124 1.00 0.00 C ATOM 201 CG2 VAL A 13 33.520 5.161 2.722 1.00 0.00 C ATOM 0 H VAL A 13 31.577 6.342 1.509 1.00 0.00 H new ATOM 0 HA VAL A 13 32.414 3.744 0.608 1.00 0.00 H new ATOM 0 HB VAL A 13 31.532 4.648 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 13 33.095 2.870 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 13 31.801 2.197 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 13 33.428 2.448 2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 13 33.931 5.184 3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 13 34.270 4.773 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 13 33.239 6.171 2.422 1.00 0.00 H new ATOM 211 N ILE A 14 29.324 4.021 1.735 1.00 0.00 N ATOM 212 CA ILE A 14 28.015 3.308 1.776 1.00 0.00 C ATOM 213 C ILE A 14 27.539 3.028 0.344 1.00 0.00 C ATOM 214 O ILE A 14 26.830 2.070 0.095 1.00 0.00 O ATOM 215 CB ILE A 14 26.989 4.181 2.517 1.00 0.00 C ATOM 216 CG1 ILE A 14 27.460 4.392 3.958 1.00 0.00 C ATOM 217 CG2 ILE A 14 25.620 3.489 2.535 1.00 0.00 C ATOM 218 CD1 ILE A 14 26.734 5.595 4.564 1.00 0.00 C ATOM 0 H ILE A 14 29.301 4.982 2.075 1.00 0.00 H new ATOM 0 HA ILE A 14 28.124 2.359 2.302 1.00 0.00 H new ATOM 0 HB ILE A 14 26.899 5.139 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 14 27.262 3.499 4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 14 28.537 4.556 3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.902 4.117 3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 14 25.280 3.329 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.704 2.529 3.043 1.00 0.00 H new ATOM 0 HD11 ILE A 14 27.070 5.744 5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 14 26.954 6.487 3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 14 25.659 5.413 4.557 1.00 0.00 H new ATOM 230 N PHE A 15 27.925 3.854 -0.594 1.00 0.00 N ATOM 231 CA PHE A 15 27.499 3.643 -2.008 1.00 0.00 C ATOM 232 C PHE A 15 28.086 2.329 -2.530 1.00 0.00 C ATOM 233 O PHE A 15 27.429 1.580 -3.228 1.00 0.00 O ATOM 234 CB PHE A 15 28.003 4.806 -2.867 1.00 0.00 C ATOM 235 CG PHE A 15 27.172 4.902 -4.124 1.00 0.00 C ATOM 236 CD1 PHE A 15 25.782 5.040 -4.035 1.00 0.00 C ATOM 237 CD2 PHE A 15 27.791 4.853 -5.379 1.00 0.00 C ATOM 238 CE1 PHE A 15 25.011 5.128 -5.200 1.00 0.00 C ATOM 239 CE2 PHE A 15 27.020 4.941 -6.544 1.00 0.00 C ATOM 240 CZ PHE A 15 25.630 5.079 -6.454 1.00 0.00 C ATOM 0 H PHE A 15 28.519 4.669 -0.440 1.00 0.00 H new ATOM 0 HA PHE A 15 26.411 3.596 -2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 15 27.942 5.739 -2.306 1.00 0.00 H new ATOM 0 HB3 PHE A 15 29.052 4.655 -3.123 1.00 0.00 H new ATOM 0 HD1 PHE A 15 25.304 5.079 -3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 15 28.864 4.747 -5.448 1.00 0.00 H new ATOM 0 HE1 PHE A 15 23.938 5.234 -5.131 1.00 0.00 H new ATOM 0 HE2 PHE A 15 27.497 4.902 -7.512 1.00 0.00 H new ATOM 0 HZ PHE A 15 25.035 5.148 -7.353 1.00 0.00 H new ATOM 250 N ILE A 16 29.319 2.048 -2.195 1.00 0.00 N ATOM 251 CA ILE A 16 29.963 0.785 -2.667 1.00 0.00 C ATOM 252 C ILE A 16 29.426 -0.407 -1.862 1.00 0.00 C ATOM 253 O ILE A 16 29.436 -1.530 -2.328 1.00 0.00 O ATOM 254 CB ILE A 16 31.481 0.887 -2.481 1.00 0.00 C ATOM 255 CG1 ILE A 16 32.003 2.130 -3.208 1.00 0.00 C ATOM 256 CG2 ILE A 16 32.158 -0.360 -3.059 1.00 0.00 C ATOM 257 CD1 ILE A 16 33.157 2.743 -2.412 1.00 0.00 C ATOM 0 H ILE A 16 29.910 2.641 -1.613 1.00 0.00 H new ATOM 0 HA ILE A 16 29.733 0.636 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 16 31.708 0.962 -1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 16 32.340 1.863 -4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 16 31.201 2.859 -3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 16 33.237 -0.283 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 16 31.790 -1.246 -2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 16 31.929 -0.439 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 16 33.527 3.627 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 16 32.805 3.025 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 16 33.962 2.014 -2.318 1.00 0.00 H new ATOM 269 N TYR A 17 28.968 -0.173 -0.656 1.00 0.00 N ATOM 270 CA TYR A 17 28.441 -1.291 0.184 1.00 0.00 C ATOM 271 C TYR A 17 27.209 -1.915 -0.483 1.00 0.00 C ATOM 272 O TYR A 17 27.030 -3.118 -0.463 1.00 0.00 O ATOM 273 CB TYR A 17 28.060 -0.746 1.568 1.00 0.00 C ATOM 274 CG TYR A 17 27.604 -1.874 2.468 1.00 0.00 C ATOM 275 CD1 TYR A 17 28.377 -3.037 2.592 1.00 0.00 C ATOM 276 CD2 TYR A 17 26.405 -1.753 3.182 1.00 0.00 C ATOM 277 CE1 TYR A 17 27.950 -4.076 3.427 1.00 0.00 C ATOM 278 CE2 TYR A 17 25.979 -2.793 4.017 1.00 0.00 C ATOM 279 CZ TYR A 17 26.751 -3.954 4.140 1.00 0.00 C ATOM 280 OH TYR A 17 26.331 -4.978 4.962 1.00 0.00 O ATOM 0 H TYR A 17 28.937 0.747 -0.217 1.00 0.00 H new ATOM 0 HA TYR A 17 29.210 -2.057 0.289 1.00 0.00 H new ATOM 0 HB2 TYR A 17 28.915 -0.238 2.015 1.00 0.00 H new ATOM 0 HB3 TYR A 17 27.266 -0.006 1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 17 29.302 -3.131 2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 17 25.809 -0.857 3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 17 28.545 -4.972 3.521 1.00 0.00 H new ATOM 0 HE2 TYR A 17 25.054 -2.699 4.567 1.00 0.00 H new ATOM 0 HH TYR A 17 25.481 -4.732 5.383 1.00 0.00 H new ATOM 290 N PHE A 18 26.357 -1.108 -1.062 1.00 0.00 N ATOM 291 CA PHE A 18 25.130 -1.651 -1.718 1.00 0.00 C ATOM 292 C PHE A 18 25.450 -2.111 -3.144 1.00 0.00 C ATOM 293 O PHE A 18 24.810 -2.993 -3.678 1.00 0.00 O ATOM 294 CB PHE A 18 24.058 -0.557 -1.763 1.00 0.00 C ATOM 295 CG PHE A 18 22.721 -1.138 -1.367 1.00 0.00 C ATOM 296 CD1 PHE A 18 22.561 -1.731 -0.109 1.00 0.00 C ATOM 297 CD2 PHE A 18 21.644 -1.086 -2.259 1.00 0.00 C ATOM 298 CE1 PHE A 18 21.323 -2.273 0.257 1.00 0.00 C ATOM 299 CE2 PHE A 18 20.406 -1.627 -1.893 1.00 0.00 C ATOM 300 CZ PHE A 18 20.245 -2.220 -0.635 1.00 0.00 C ATOM 0 H PHE A 18 26.459 -0.094 -1.109 1.00 0.00 H new ATOM 0 HA PHE A 18 24.767 -2.505 -1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 18 24.326 0.256 -1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 18 23.999 -0.133 -2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 18 23.392 -1.770 0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 18 21.768 -0.629 -3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 18 21.200 -2.732 1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 18 19.575 -1.587 -2.581 1.00 0.00 H new ATOM 0 HZ PHE A 18 19.289 -2.637 -0.353 1.00 0.00 H new ATOM 310 N ALA A 19 26.428 -1.505 -3.763 1.00 0.00 N ATOM 311 CA ALA A 19 26.803 -1.879 -5.165 1.00 0.00 C ATOM 312 C ALA A 19 27.121 -3.374 -5.265 1.00 0.00 C ATOM 313 O ALA A 19 26.647 -4.068 -6.144 1.00 0.00 O ATOM 314 CB ALA A 19 28.052 -1.096 -5.559 1.00 0.00 C ATOM 0 H ALA A 19 26.991 -0.758 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 19 25.966 -1.649 -5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 19 28.339 -1.357 -6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 19 27.844 -0.027 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 19 28.866 -1.344 -4.878 1.00 0.00 H new ATOM 320 N ALA A 20 27.946 -3.858 -4.382 1.00 0.00 N ATOM 321 CA ALA A 20 28.353 -5.300 -4.398 1.00 0.00 C ATOM 322 C ALA A 20 27.138 -6.227 -4.470 1.00 0.00 C ATOM 323 O ALA A 20 27.082 -7.129 -5.281 1.00 0.00 O ATOM 324 CB ALA A 20 29.116 -5.607 -3.114 1.00 0.00 C ATOM 0 H ALA A 20 28.367 -3.308 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 20 28.971 -5.470 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 20 29.419 -6.654 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.001 -4.973 -3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 20 28.474 -5.413 -2.254 1.00 0.00 H new ATOM 330 N LEU A 21 26.195 -6.028 -3.598 1.00 0.00 N ATOM 331 CA LEU A 21 24.983 -6.911 -3.568 1.00 0.00 C ATOM 332 C LEU A 21 23.923 -6.454 -4.585 1.00 0.00 C ATOM 333 O LEU A 21 22.949 -7.139 -4.806 1.00 0.00 O ATOM 334 CB LEU A 21 24.374 -6.871 -2.161 1.00 0.00 C ATOM 335 CG LEU A 21 24.747 -8.145 -1.397 1.00 0.00 C ATOM 336 CD1 LEU A 21 24.359 -7.987 0.074 1.00 0.00 C ATOM 337 CD2 LEU A 21 23.996 -9.336 -1.997 1.00 0.00 C ATOM 0 H LEU A 21 26.205 -5.288 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 21 25.292 -7.923 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 21 24.736 -5.995 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 21 23.290 -6.780 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 21 25.821 -8.316 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 21 24.624 -8.893 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.891 -7.137 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 21 23.285 -7.818 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 21 24.260 -10.244 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 21 22.922 -9.166 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 21 24.270 -9.448 -3.046 1.00 0.00 H new ATOM 349 N SER A 22 24.094 -5.307 -5.191 1.00 0.00 N ATOM 350 CA SER A 22 23.082 -4.796 -6.180 1.00 0.00 C ATOM 351 C SER A 22 22.669 -5.871 -7.211 1.00 0.00 C ATOM 352 O SER A 22 21.491 -6.048 -7.449 1.00 0.00 O ATOM 353 CB SER A 22 23.659 -3.585 -6.914 1.00 0.00 C ATOM 354 OG SER A 22 22.599 -2.711 -7.277 1.00 0.00 O ATOM 0 H SER A 22 24.896 -4.694 -5.045 1.00 0.00 H new ATOM 0 HA SER A 22 22.188 -4.518 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.373 -3.064 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 22 24.201 -3.908 -7.803 1.00 0.00 H new ATOM 0 HG SER A 22 22.964 -1.932 -7.746 1.00 0.00 H new ATOM 360 N PRO A 23 23.625 -6.551 -7.808 1.00 0.00 N ATOM 361 CA PRO A 23 23.394 -7.618 -8.847 1.00 0.00 C ATOM 362 C PRO A 23 22.888 -8.904 -8.199 1.00 0.00 C ATOM 363 O PRO A 23 21.816 -9.387 -8.503 1.00 0.00 O ATOM 364 CB PRO A 23 24.740 -7.860 -9.508 1.00 0.00 C ATOM 365 CG PRO A 23 25.791 -7.416 -8.525 1.00 0.00 C ATOM 366 CD PRO A 23 25.117 -6.424 -7.584 1.00 0.00 C ATOM 0 HA PRO A 23 22.640 -7.305 -9.570 1.00 0.00 H new ATOM 0 HB2 PRO A 23 24.864 -8.914 -9.758 1.00 0.00 H new ATOM 0 HB3 PRO A 23 24.820 -7.300 -10.440 1.00 0.00 H new ATOM 0 HG2 PRO A 23 26.188 -8.267 -7.971 1.00 0.00 H new ATOM 0 HG3 PRO A 23 26.632 -6.951 -9.040 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.372 -6.641 -6.547 1.00 0.00 H new ATOM 0 HD3 PRO A 23 25.453 -5.408 -7.789 1.00 0.00 H new ATOM 374 N ALA A 24 23.668 -9.459 -7.314 1.00 0.00 N ATOM 375 CA ALA A 24 23.279 -10.734 -6.617 1.00 0.00 C ATOM 376 C ALA A 24 21.828 -10.675 -6.106 1.00 0.00 C ATOM 377 O ALA A 24 21.173 -11.691 -5.964 1.00 0.00 O ATOM 378 CB ALA A 24 24.216 -10.958 -5.430 1.00 0.00 C ATOM 0 H ALA A 24 24.574 -9.083 -7.035 1.00 0.00 H new ATOM 0 HA ALA A 24 23.358 -11.553 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 24 23.941 -11.881 -4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 24 25.243 -11.033 -5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 24 24.132 -10.120 -4.737 1.00 0.00 H new ATOM 384 N ILE A 25 21.328 -9.498 -5.831 1.00 0.00 N ATOM 385 CA ILE A 25 19.924 -9.369 -5.333 1.00 0.00 C ATOM 386 C ILE A 25 18.952 -9.838 -6.430 1.00 0.00 C ATOM 387 O ILE A 25 18.104 -10.679 -6.195 1.00 0.00 O ATOM 388 CB ILE A 25 19.654 -7.897 -4.948 1.00 0.00 C ATOM 389 CG1 ILE A 25 20.427 -7.569 -3.667 1.00 0.00 C ATOM 390 CG2 ILE A 25 18.158 -7.659 -4.692 1.00 0.00 C ATOM 391 CD1 ILE A 25 20.753 -6.074 -3.632 1.00 0.00 C ATOM 0 H ILE A 25 21.833 -8.617 -5.930 1.00 0.00 H new ATOM 0 HA ILE A 25 19.777 -9.991 -4.450 1.00 0.00 H new ATOM 0 HB ILE A 25 19.976 -7.259 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.836 -7.843 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 25 21.346 -8.153 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 25 17.996 -6.615 -4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 25 17.593 -7.893 -5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 25 17.822 -8.300 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 25 21.303 -5.843 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 25 21.361 -5.814 -4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.827 -5.499 -3.653 1.00 0.00 H new ATOM 403 N THR A 26 19.066 -9.296 -7.619 1.00 0.00 N ATOM 404 CA THR A 26 18.145 -9.705 -8.723 1.00 0.00 C ATOM 405 C THR A 26 18.500 -11.115 -9.202 1.00 0.00 C ATOM 406 O THR A 26 17.739 -12.047 -9.025 1.00 0.00 O ATOM 407 CB THR A 26 18.270 -8.721 -9.890 1.00 0.00 C ATOM 408 OG1 THR A 26 18.211 -7.391 -9.395 1.00 0.00 O ATOM 409 CG2 THR A 26 17.126 -8.951 -10.879 1.00 0.00 C ATOM 0 H THR A 26 19.757 -8.589 -7.871 1.00 0.00 H new ATOM 0 HA THR A 26 17.120 -9.700 -8.352 1.00 0.00 H new ATOM 0 HB THR A 26 19.222 -8.878 -10.397 1.00 0.00 H new ATOM 0 HG1 THR A 26 18.293 -6.760 -10.141 1.00 0.00 H new ATOM 0 HG21 THR A 26 17.216 -8.250 -11.709 1.00 0.00 H new ATOM 0 HG22 THR A 26 17.173 -9.972 -11.259 1.00 0.00 H new ATOM 0 HG23 THR A 26 16.172 -8.795 -10.375 1.00 0.00 H new