USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 156 hydrogens (5 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0198 X(o=-0.02,f=-0.43) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 1.434 -8.095 1.274 1.00 0.00 C HETATM 2 O ACE A 0 0.517 -8.912 1.364 1.00 0.00 O HETATM 3 CH3 ACE A 0 1.521 -7.149 0.082 1.00 0.00 C HETATM 0 H1 ACE A 0 1.479 -6.118 0.432 1.00 0.00 H new HETATM 0 H2 ACE A 0 2.460 -7.315 -0.447 1.00 0.00 H new HETATM 0 H3 ACE A 0 0.686 -7.337 -0.593 1.00 0.00 H new ATOM 7 N LEU A 1 2.393 -7.984 2.188 1.00 0.00 N ATOM 8 CA LEU A 1 2.409 -8.843 3.367 1.00 0.00 C ATOM 9 C LEU A 1 1.156 -8.604 4.206 1.00 0.00 C ATOM 10 O LEU A 1 0.544 -9.547 4.707 1.00 0.00 O ATOM 11 CB LEU A 1 3.650 -8.545 4.214 1.00 0.00 C ATOM 12 CG LEU A 1 4.924 -8.975 3.467 1.00 0.00 C ATOM 13 CD1 LEU A 1 6.147 -8.367 4.164 1.00 0.00 C ATOM 14 CD2 LEU A 1 5.063 -10.510 3.463 1.00 0.00 C ATOM 0 H LEU A 1 3.161 -7.315 2.137 1.00 0.00 H new ATOM 0 HA LEU A 1 2.433 -9.883 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.696 -7.480 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.584 -9.072 5.166 1.00 0.00 H new ATOM 0 HG LEU A 1 4.859 -8.624 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.053 -8.669 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.068 -7.280 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.191 -8.719 5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.971 -10.792 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.118 -10.873 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.199 -10.952 2.967 1.00 0.00 H new ATOM 26 N GLY A 2 0.783 -7.338 4.347 1.00 0.00 N ATOM 27 CA GLY A 2 -0.398 -6.976 5.123 1.00 0.00 C ATOM 28 C GLY A 2 -0.512 -5.461 5.260 1.00 0.00 C ATOM 29 O GLY A 2 -0.687 -4.935 6.357 1.00 0.00 O ATOM 0 H GLY A 2 1.279 -6.547 3.936 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.292 -7.370 4.639 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.343 -7.432 6.111 1.00 0.00 H new ATOM 33 N LEU A 3 -0.417 -4.770 4.129 1.00 0.00 N ATOM 34 CA LEU A 3 -0.512 -3.315 4.119 1.00 0.00 C ATOM 35 C LEU A 3 0.364 -2.708 5.208 1.00 0.00 C ATOM 36 O LEU A 3 0.232 -1.529 5.529 1.00 0.00 O ATOM 37 CB LEU A 3 -1.964 -2.886 4.344 1.00 0.00 C ATOM 38 CG LEU A 3 -2.873 -3.535 3.295 1.00 0.00 C ATOM 39 CD1 LEU A 3 -4.327 -3.147 3.580 1.00 0.00 C ATOM 40 CD2 LEU A 3 -2.477 -3.060 1.885 1.00 0.00 C ATOM 0 H LEU A 3 -0.275 -5.192 3.211 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.167 -2.958 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.286 -3.175 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.044 -1.801 4.285 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.764 -4.618 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.979 -3.606 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.608 -3.495 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.430 -2.063 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.129 -3.527 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.578 -1.976 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.443 -3.340 1.684 1.00 0.00 H new ATOM 52 N LEU A 4 1.258 -3.515 5.775 1.00 0.00 N ATOM 53 CA LEU A 4 2.143 -3.019 6.825 1.00 0.00 C ATOM 54 C LEU A 4 3.048 -1.921 6.278 1.00 0.00 C ATOM 55 O LEU A 4 3.202 -0.868 6.894 1.00 0.00 O ATOM 56 CB LEU A 4 3.005 -4.162 7.371 1.00 0.00 C ATOM 57 CG LEU A 4 2.136 -5.161 8.154 1.00 0.00 C ATOM 58 CD1 LEU A 4 2.952 -6.431 8.425 1.00 0.00 C ATOM 59 CD2 LEU A 4 1.678 -4.549 9.495 1.00 0.00 C ATOM 0 H LEU A 4 1.388 -4.497 5.531 1.00 0.00 H new ATOM 0 HA LEU A 4 1.530 -2.612 7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.507 -4.673 6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.784 -3.761 8.020 1.00 0.00 H new ATOM 0 HG LEU A 4 1.253 -5.401 7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.342 -7.144 8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.259 -6.875 7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.836 -6.177 9.010 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.065 -5.271 10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.551 -4.295 10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.094 -3.649 9.304 1.00 0.00 H new ATOM 71 N SER A 5 3.631 -2.165 5.107 1.00 0.00 N ATOM 72 CA SER A 5 4.499 -1.173 4.485 1.00 0.00 C ATOM 73 C SER A 5 3.691 0.065 4.118 1.00 0.00 C ATOM 74 O SER A 5 4.108 1.197 4.362 1.00 0.00 O ATOM 75 CB SER A 5 5.151 -1.749 3.228 1.00 0.00 C ATOM 76 OG SER A 5 5.703 -0.686 2.462 1.00 0.00 O ATOM 0 H SER A 5 3.520 -3.029 4.577 1.00 0.00 H new ATOM 0 HA SER A 5 5.280 -0.900 5.195 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.931 -2.460 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.414 -2.294 2.638 1.00 0.00 H new ATOM 0 HG SER A 5 6.124 -1.049 1.655 1.00 0.00 H new ATOM 82 N TYR A 6 2.522 -0.172 3.532 1.00 0.00 N ATOM 83 CA TYR A 6 1.636 0.913 3.132 1.00 0.00 C ATOM 84 C TYR A 6 1.192 1.719 4.353 1.00 0.00 C ATOM 85 O TYR A 6 1.241 2.950 4.349 1.00 0.00 O ATOM 86 CB TYR A 6 0.418 0.332 2.402 1.00 0.00 C ATOM 87 CG TYR A 6 -0.625 1.405 2.191 1.00 0.00 C ATOM 88 CD1 TYR A 6 -0.463 2.353 1.176 1.00 0.00 C ATOM 89 CD2 TYR A 6 -1.754 1.444 3.017 1.00 0.00 C ATOM 90 CE1 TYR A 6 -1.432 3.346 0.989 1.00 0.00 C ATOM 91 CE2 TYR A 6 -2.721 2.434 2.831 1.00 0.00 C ATOM 92 CZ TYR A 6 -2.562 3.386 1.817 1.00 0.00 C ATOM 93 OH TYR A 6 -3.518 4.364 1.635 1.00 0.00 O ATOM 0 H TYR A 6 2.167 -1.105 3.324 1.00 0.00 H new ATOM 0 HA TYR A 6 2.171 1.584 2.460 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.724 -0.082 1.441 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.006 -0.488 2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.408 2.319 0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.877 0.709 3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -1.309 4.081 0.207 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.592 2.465 3.469 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.235 4.247 2.292 1.00 0.00 H new ATOM 103 N GLY A 7 0.768 1.014 5.396 1.00 0.00 N ATOM 104 CA GLY A 7 0.324 1.662 6.621 1.00 0.00 C ATOM 105 C GLY A 7 1.478 2.384 7.296 1.00 0.00 C ATOM 106 O GLY A 7 1.283 3.402 7.957 1.00 0.00 O ATOM 0 H GLY A 7 0.723 -0.005 5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.473 2.371 6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.094 0.919 7.300 1.00 0.00 H new ATOM 110 N ALA A 8 2.681 1.838 7.138 1.00 0.00 N ATOM 111 CA ALA A 8 3.862 2.431 7.749 1.00 0.00 C ATOM 112 C ALA A 8 4.008 3.892 7.328 1.00 0.00 C ATOM 113 O ALA A 8 4.773 4.217 6.420 1.00 0.00 O ATOM 114 CB ALA A 8 5.114 1.650 7.345 1.00 0.00 C ATOM 0 H ALA A 8 2.861 0.993 6.596 1.00 0.00 H new ATOM 0 HA ALA A 8 3.746 2.387 8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.991 2.103 7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.021 0.616 7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.223 1.674 6.261 1.00 0.00 H new ATOM 120 N GLY A 9 3.258 4.764 7.996 1.00 0.00 N ATOM 121 CA GLY A 9 3.287 6.196 7.702 1.00 0.00 C ATOM 122 C GLY A 9 1.880 6.776 7.749 1.00 0.00 C ATOM 123 O GLY A 9 1.694 7.966 7.995 1.00 0.00 O ATOM 0 H GLY A 9 2.620 4.504 8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.923 6.709 8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.723 6.363 6.717 1.00 0.00 H new ATOM 127 N VAL A 10 0.891 5.919 7.518 1.00 0.00 N ATOM 128 CA VAL A 10 -0.501 6.352 7.542 1.00 0.00 C ATOM 129 C VAL A 10 -0.876 6.849 8.939 1.00 0.00 C ATOM 130 O VAL A 10 -1.500 7.899 9.085 1.00 0.00 O ATOM 131 CB VAL A 10 -1.415 5.190 7.128 1.00 0.00 C ATOM 132 CG1 VAL A 10 -2.884 5.555 7.385 1.00 0.00 C ATOM 133 CG2 VAL A 10 -1.213 4.894 5.638 1.00 0.00 C ATOM 0 H VAL A 10 1.026 4.929 7.314 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.630 7.172 6.836 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.162 4.308 7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.523 4.723 7.088 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.027 5.762 8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.146 6.440 6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.860 4.069 5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.462 5.780 5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.173 4.622 5.459 1.00 0.00 H new ATOM 143 N ALA A 11 -0.492 6.085 9.958 1.00 0.00 N ATOM 144 CA ALA A 11 -0.790 6.454 11.342 1.00 0.00 C ATOM 145 C ALA A 11 -2.294 6.398 11.628 1.00 0.00 C ATOM 146 O ALA A 11 -2.707 6.286 12.782 1.00 0.00 O ATOM 147 CB ALA A 11 -0.266 7.863 11.636 1.00 0.00 C ATOM 0 H ALA A 11 0.023 5.211 9.854 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.292 5.733 11.990 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.493 8.128 12.669 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.813 7.889 11.484 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.744 8.576 10.965 1.00 0.00 H new ATOM 153 N SER A 12 -3.107 6.484 10.578 1.00 0.00 N ATOM 154 CA SER A 12 -4.560 6.450 10.734 1.00 0.00 C ATOM 155 C SER A 12 -5.068 5.012 10.750 1.00 0.00 C ATOM 156 O SER A 12 -6.270 4.769 10.653 1.00 0.00 O ATOM 157 CB SER A 12 -5.230 7.210 9.590 1.00 0.00 C ATOM 158 OG SER A 12 -4.740 8.544 9.561 1.00 0.00 O ATOM 0 H SER A 12 -2.787 6.577 9.614 1.00 0.00 H new ATOM 0 HA SER A 12 -4.810 6.924 11.683 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.026 6.715 8.641 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.312 7.211 9.723 1.00 0.00 H new ATOM 0 HG SER A 12 -5.167 9.033 8.827 1.00 0.00 H new ATOM 164 N LEU A 13 -4.146 4.058 10.864 1.00 0.00 N ATOM 165 CA LEU A 13 -4.522 2.643 10.883 1.00 0.00 C ATOM 166 C LEU A 13 -3.501 1.780 11.646 1.00 0.00 C ATOM 167 O LEU A 13 -3.900 0.912 12.423 1.00 0.00 O ATOM 168 CB LEU A 13 -4.689 2.123 9.431 1.00 0.00 C ATOM 169 CG LEU A 13 -5.908 1.182 9.324 1.00 0.00 C ATOM 170 CD1 LEU A 13 -7.195 2.001 9.167 1.00 0.00 C ATOM 171 CD2 LEU A 13 -5.754 0.273 8.099 1.00 0.00 C ATOM 0 H LEU A 13 -3.144 4.234 10.944 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.471 2.561 11.413 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.813 2.965 8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.787 1.594 9.123 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.964 0.581 10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.048 1.327 9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.321 2.651 10.033 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.132 2.608 8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.616 -0.390 8.027 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.689 0.884 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.846 -0.322 8.199 1.00 0.00 H new ATOM 183 N PRO A 14 -2.210 1.960 11.443 1.00 0.00 N ATOM 184 CA PRO A 14 -1.185 1.121 12.141 1.00 0.00 C ATOM 185 C PRO A 14 -1.307 1.188 13.665 1.00 0.00 C ATOM 186 O PRO A 14 -1.436 0.159 14.327 1.00 0.00 O ATOM 187 CB PRO A 14 0.161 1.696 11.655 1.00 0.00 C ATOM 188 CG PRO A 14 -0.163 2.386 10.370 1.00 0.00 C ATOM 189 CD PRO A 14 -1.566 2.949 10.554 1.00 0.00 C ATOM 0 HA PRO A 14 -1.302 0.063 11.909 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.581 2.391 12.383 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.898 0.907 11.506 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.554 3.179 10.159 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.126 1.691 9.531 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.546 3.942 11.003 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.092 3.039 9.604 1.00 0.00 H new ATOM 197 N LEU A 15 -1.264 2.399 14.211 1.00 0.00 N ATOM 198 CA LEU A 15 -1.370 2.576 15.655 1.00 0.00 C ATOM 199 C LEU A 15 -2.745 2.138 16.151 1.00 0.00 C ATOM 200 O LEU A 15 -2.864 1.477 17.182 1.00 0.00 O ATOM 201 CB LEU A 15 -1.146 4.045 16.017 1.00 0.00 C ATOM 202 CG LEU A 15 0.303 4.450 15.714 1.00 0.00 C ATOM 203 CD1 LEU A 15 0.442 5.966 15.882 1.00 0.00 C ATOM 204 CD2 LEU A 15 1.280 3.731 16.669 1.00 0.00 C ATOM 0 H LEU A 15 -1.158 3.264 13.682 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.609 1.960 16.133 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.833 4.675 15.452 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.363 4.204 17.073 1.00 0.00 H new ATOM 0 HG LEU A 15 0.547 4.162 14.691 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.469 6.263 15.669 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.233 6.472 15.192 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.189 6.243 16.905 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.302 4.031 16.438 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.047 4.001 17.699 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.182 2.652 16.545 1.00 0.00 H new ATOM 216 N LEU A 16 -3.778 2.526 15.411 1.00 0.00 N ATOM 217 CA LEU A 16 -5.146 2.183 15.776 1.00 0.00 C ATOM 218 C LEU A 16 -5.359 0.678 15.711 1.00 0.00 C ATOM 219 O LEU A 16 -6.020 0.094 16.570 1.00 0.00 O ATOM 220 CB LEU A 16 -6.127 2.883 14.831 1.00 0.00 C ATOM 221 CG LEU A 16 -6.059 4.405 15.037 1.00 0.00 C ATOM 222 CD1 LEU A 16 -6.889 5.098 13.951 1.00 0.00 C ATOM 223 CD2 LEU A 16 -6.604 4.786 16.429 1.00 0.00 C ATOM 0 H LEU A 16 -3.694 3.077 14.557 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.324 2.516 16.798 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.887 2.637 13.797 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.140 2.527 15.017 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.020 4.727 14.971 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.844 6.178 14.092 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.489 4.844 12.969 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.925 4.766 14.018 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.548 5.867 16.558 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.642 4.463 16.514 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.008 4.297 17.199 1.00 0.00 H new ATOM 235 N ASN A 17 -4.801 0.058 14.680 1.00 0.00 N ATOM 236 CA ASN A 17 -4.937 -1.381 14.497 1.00 0.00 C ATOM 237 C ASN A 17 -4.320 -2.132 15.672 1.00 0.00 C ATOM 238 O ASN A 17 -4.893 -3.100 16.170 1.00 0.00 O ATOM 239 CB ASN A 17 -4.247 -1.803 13.201 1.00 0.00 C ATOM 240 CG ASN A 17 -4.297 -3.319 13.046 1.00 0.00 C ATOM 241 OD1 ASN A 17 -3.422 -4.023 13.551 1.00 0.00 O ATOM 242 ND2 ASN A 17 -5.271 -3.869 12.375 1.00 0.00 N ATOM 0 H ASN A 17 -4.252 0.527 13.960 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.998 -1.626 14.444 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.734 -1.327 12.350 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.211 -1.465 13.206 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.308 -4.883 12.268 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.996 -3.285 11.957 1.00 0.00 H new ATOM 249 N VAL A 18 -3.158 -1.667 16.121 1.00 0.00 N ATOM 250 CA VAL A 18 -2.482 -2.296 17.249 1.00 0.00 C ATOM 251 C VAL A 18 -3.317 -2.128 18.512 1.00 0.00 C ATOM 252 O VAL A 18 -3.513 -3.076 19.274 1.00 0.00 O ATOM 253 CB VAL A 18 -1.099 -1.666 17.449 1.00 0.00 C ATOM 254 CG1 VAL A 18 -0.463 -2.208 18.733 1.00 0.00 C ATOM 255 CG2 VAL A 18 -0.207 -2.016 16.255 1.00 0.00 C ATOM 0 H VAL A 18 -2.669 -0.864 15.725 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.360 -3.359 17.042 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.203 -0.584 17.528 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.520 -1.757 18.871 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.097 -1.963 19.585 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.358 -3.290 18.658 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.778 -1.570 16.393 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.107 -3.099 16.180 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.655 -1.629 15.340 1.00 0.00 H new ATOM 265 N ILE A 19 -3.812 -0.914 18.721 1.00 0.00 N ATOM 266 CA ILE A 19 -4.630 -0.629 19.892 1.00 0.00 C ATOM 267 C ILE A 19 -5.914 -1.446 19.841 1.00 0.00 C ATOM 268 O ILE A 19 -6.338 -2.019 20.845 1.00 0.00 O ATOM 269 CB ILE A 19 -4.971 0.864 19.938 1.00 0.00 C ATOM 270 CG1 ILE A 19 -3.694 1.664 20.198 1.00 0.00 C ATOM 271 CG2 ILE A 19 -5.973 1.133 21.065 1.00 0.00 C ATOM 272 CD1 ILE A 19 -3.966 3.151 19.961 1.00 0.00 C ATOM 0 H ILE A 19 -3.663 -0.118 18.101 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.071 -0.898 20.788 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.410 1.164 18.986 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.354 1.504 21.221 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.896 1.320 19.540 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.212 2.196 21.093 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.884 0.561 20.887 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.537 0.834 22.018 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.056 3.721 20.146 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.286 3.303 18.930 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.751 3.490 20.638 1.00 0.00 H new ATOM 284 N ALA A 20 -6.530 -1.495 18.661 1.00 0.00 N ATOM 285 CA ALA A 20 -7.770 -2.244 18.487 1.00 0.00 C ATOM 286 C ALA A 20 -7.473 -3.721 18.244 1.00 0.00 C ATOM 287 O ALA A 20 -8.388 -4.544 18.197 1.00 0.00 O ATOM 288 CB ALA A 20 -8.561 -1.677 17.308 1.00 0.00 C ATOM 0 H ALA A 20 -6.193 -1.029 17.819 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.362 -2.150 19.398 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.485 -2.242 17.185 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.798 -0.630 17.499 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.965 -1.754 16.399 1.00 0.00 H new HETATM 294 N NH2 A 21 -6.236 -4.110 18.094 1.00 0.00 N TER 297 NH2 A 21