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 -170:sc= -0.337 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 7.012 -5.635 -1.363 1.00 0.00 C HETATM 2 O ACE A 0 6.882 -5.678 -2.588 1.00 0.00 O HETATM 3 CH3 ACE A 0 7.983 -4.661 -0.711 1.00 0.00 C HETATM 0 H1 ACE A 0 7.436 -3.994 -0.045 1.00 0.00 H new HETATM 0 H2 ACE A 0 8.726 -5.216 -0.139 1.00 0.00 H new HETATM 0 H3 ACE A 0 8.483 -4.075 -1.482 1.00 0.00 H new ATOM 7 N LEU A 1 6.327 -6.415 -0.534 1.00 0.00 N ATOM 8 CA LEU A 1 5.363 -7.387 -1.033 1.00 0.00 C ATOM 9 C LEU A 1 4.231 -6.676 -1.768 1.00 0.00 C ATOM 10 O LEU A 1 3.787 -7.127 -2.825 1.00 0.00 O ATOM 11 CB LEU A 1 4.793 -8.195 0.136 1.00 0.00 C ATOM 12 CG LEU A 1 5.872 -9.124 0.718 1.00 0.00 C ATOM 13 CD1 LEU A 1 5.409 -9.636 2.086 1.00 0.00 C ATOM 14 CD2 LEU A 1 6.111 -10.328 -0.213 1.00 0.00 C ATOM 0 H LEU A 1 6.421 -6.393 0.481 1.00 0.00 H new ATOM 0 HA LEU A 1 5.866 -8.060 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.428 -7.520 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.940 -8.784 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 1 6.802 -8.563 0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.170 -10.295 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.253 -8.791 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.475 -10.186 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.878 -10.973 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.184 -10.891 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 1 6.441 -9.973 -1.189 1.00 0.00 H new ATOM 26 N GLY A 2 3.769 -5.562 -1.203 1.00 0.00 N ATOM 27 CA GLY A 2 2.688 -4.791 -1.813 1.00 0.00 C ATOM 28 C GLY A 2 1.823 -4.129 -0.748 1.00 0.00 C ATOM 29 O GLY A 2 1.219 -3.084 -0.986 1.00 0.00 O ATOM 0 H GLY A 2 4.124 -5.175 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.106 -4.030 -2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.073 -5.445 -2.431 1.00 0.00 H new ATOM 33 N LEU A 3 1.765 -4.750 0.428 1.00 0.00 N ATOM 34 CA LEU A 3 0.965 -4.217 1.532 1.00 0.00 C ATOM 35 C LEU A 3 1.825 -3.378 2.471 1.00 0.00 C ATOM 36 O LEU A 3 1.302 -2.624 3.289 1.00 0.00 O ATOM 37 CB LEU A 3 0.341 -5.368 2.325 1.00 0.00 C ATOM 38 CG LEU A 3 -0.693 -6.111 1.467 1.00 0.00 C ATOM 39 CD1 LEU A 3 -1.116 -7.389 2.199 1.00 0.00 C ATOM 40 CD2 LEU A 3 -1.932 -5.222 1.221 1.00 0.00 C ATOM 0 H LEU A 3 2.258 -5.617 0.642 1.00 0.00 H new ATOM 0 HA LEU A 3 0.182 -3.587 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.119 -6.059 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.135 -4.981 3.226 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.248 -6.359 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.851 -7.926 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.244 -8.023 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.555 -7.128 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.654 -5.765 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.388 -4.960 2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.630 -4.312 0.702 1.00 0.00 H new ATOM 52 N LEU A 4 3.142 -3.519 2.363 1.00 0.00 N ATOM 53 CA LEU A 4 4.040 -2.766 3.230 1.00 0.00 C ATOM 54 C LEU A 4 3.894 -1.267 2.994 1.00 0.00 C ATOM 55 O LEU A 4 3.812 -0.491 3.944 1.00 0.00 O ATOM 56 CB LEU A 4 5.490 -3.183 2.973 1.00 0.00 C ATOM 57 CG LEU A 4 5.719 -4.622 3.458 1.00 0.00 C ATOM 58 CD1 LEU A 4 7.077 -5.115 2.952 1.00 0.00 C ATOM 59 CD2 LEU A 4 5.685 -4.689 5.000 1.00 0.00 C ATOM 0 H LEU A 4 3.605 -4.136 1.696 1.00 0.00 H new ATOM 0 HA LEU A 4 3.774 -2.985 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.715 -3.110 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.169 -2.504 3.490 1.00 0.00 H new ATOM 0 HG LEU A 4 4.924 -5.257 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.244 -6.136 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.090 -5.091 1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.866 -4.470 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.849 -5.717 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.468 -4.050 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.714 -4.347 5.358 1.00 0.00 H new ATOM 71 N SER A 5 3.843 -0.865 1.728 1.00 0.00 N ATOM 72 CA SER A 5 3.690 0.548 1.401 1.00 0.00 C ATOM 73 C SER A 5 2.354 1.063 1.924 1.00 0.00 C ATOM 74 O SER A 5 2.282 2.118 2.556 1.00 0.00 O ATOM 75 CB SER A 5 3.757 0.747 -0.113 1.00 0.00 C ATOM 76 OG SER A 5 3.271 2.043 -0.440 1.00 0.00 O ATOM 0 H SER A 5 3.904 -1.487 0.922 1.00 0.00 H new ATOM 0 HA SER A 5 4.500 1.105 1.872 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.784 0.633 -0.461 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.163 -0.015 -0.618 1.00 0.00 H new ATOM 0 HG SER A 5 3.314 2.173 -1.410 1.00 0.00 H new ATOM 82 N TYR A 6 1.302 0.298 1.659 1.00 0.00 N ATOM 83 CA TYR A 6 -0.037 0.659 2.105 1.00 0.00 C ATOM 84 C TYR A 6 -0.122 0.653 3.631 1.00 0.00 C ATOM 85 O TYR A 6 -0.685 1.566 4.235 1.00 0.00 O ATOM 86 CB TYR A 6 -1.056 -0.319 1.509 1.00 0.00 C ATOM 87 CG TYR A 6 -2.422 -0.092 2.120 1.00 0.00 C ATOM 88 CD1 TYR A 6 -3.119 1.094 1.863 1.00 0.00 C ATOM 89 CD2 TYR A 6 -2.995 -1.078 2.939 1.00 0.00 C ATOM 90 CE1 TYR A 6 -4.386 1.298 2.423 1.00 0.00 C ATOM 91 CE2 TYR A 6 -4.260 -0.873 3.500 1.00 0.00 C ATOM 92 CZ TYR A 6 -4.956 0.315 3.240 1.00 0.00 C ATOM 93 OH TYR A 6 -6.205 0.518 3.792 1.00 0.00 O ATOM 0 H TYR A 6 1.351 -0.577 1.137 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.263 1.668 1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.107 -0.187 0.428 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.735 -1.345 1.690 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.679 1.852 1.232 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.459 -1.995 3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.923 2.214 2.225 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.700 -1.630 4.133 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.455 -0.261 4.332 1.00 0.00 H new ATOM 103 N GLY A 7 0.432 -0.391 4.244 1.00 0.00 N ATOM 104 CA GLY A 7 0.408 -0.525 5.700 1.00 0.00 C ATOM 105 C GLY A 7 1.669 0.050 6.336 1.00 0.00 C ATOM 106 O GLY A 7 1.984 -0.254 7.486 1.00 0.00 O ATOM 0 H GLY A 7 0.902 -1.155 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.468 -0.013 6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.312 -1.577 5.968 1.00 0.00 H new ATOM 110 N ALA A 8 2.395 0.873 5.582 1.00 0.00 N ATOM 111 CA ALA A 8 3.625 1.478 6.091 1.00 0.00 C ATOM 112 C ALA A 8 3.340 2.355 7.305 1.00 0.00 C ATOM 113 O ALA A 8 3.433 3.580 7.233 1.00 0.00 O ATOM 114 CB ALA A 8 4.279 2.330 5.002 1.00 0.00 C ATOM 0 H ALA A 8 2.156 1.135 4.625 1.00 0.00 H new ATOM 0 HA ALA A 8 4.298 0.673 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.194 2.777 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.517 1.703 4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.592 3.119 4.696 1.00 0.00 H new ATOM 120 N GLY A 9 3.000 1.719 8.421 1.00 0.00 N ATOM 121 CA GLY A 9 2.713 2.446 9.649 1.00 0.00 C ATOM 122 C GLY A 9 1.319 3.056 9.614 1.00 0.00 C ATOM 123 O GLY A 9 0.827 3.569 10.620 1.00 0.00 O ATOM 0 H GLY A 9 2.917 0.705 8.499 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.797 1.772 10.502 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.454 3.233 9.791 1.00 0.00 H new ATOM 127 N VAL A 10 0.697 3.001 8.449 1.00 0.00 N ATOM 128 CA VAL A 10 -0.641 3.555 8.277 1.00 0.00 C ATOM 129 C VAL A 10 -1.651 2.798 9.133 1.00 0.00 C ATOM 130 O VAL A 10 -2.480 3.401 9.808 1.00 0.00 O ATOM 131 CB VAL A 10 -1.059 3.450 6.816 1.00 0.00 C ATOM 132 CG1 VAL A 10 -2.441 4.079 6.629 1.00 0.00 C ATOM 133 CG2 VAL A 10 -0.036 4.169 5.933 1.00 0.00 C ATOM 0 H VAL A 10 1.093 2.580 7.608 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.620 4.600 8.586 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.103 2.400 6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.737 4.002 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.167 3.555 7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.405 5.129 6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.339 4.092 4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.017 5.220 6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.943 3.708 6.062 1.00 0.00 H new ATOM 143 N ALA A 11 -1.577 1.471 9.088 1.00 0.00 N ATOM 144 CA ALA A 11 -2.493 0.630 9.855 1.00 0.00 C ATOM 145 C ALA A 11 -1.985 0.431 11.278 1.00 0.00 C ATOM 146 O ALA A 11 -2.704 -0.074 12.139 1.00 0.00 O ATOM 147 CB ALA A 11 -2.633 -0.734 9.178 1.00 0.00 C ATOM 0 H ALA A 11 -0.895 0.956 8.531 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.462 1.128 9.893 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.317 -1.357 9.754 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.025 -0.601 8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.657 -1.217 9.128 1.00 0.00 H new ATOM 153 N SER A 12 -0.735 0.816 11.512 1.00 0.00 N ATOM 154 CA SER A 12 -0.130 0.665 12.829 1.00 0.00 C ATOM 155 C SER A 12 -0.597 1.755 13.786 1.00 0.00 C ATOM 156 O SER A 12 -0.213 1.762 14.954 1.00 0.00 O ATOM 157 CB SER A 12 1.394 0.716 12.714 1.00 0.00 C ATOM 158 OG SER A 12 1.814 -0.083 11.615 1.00 0.00 O ATOM 0 H SER A 12 -0.124 1.233 10.810 1.00 0.00 H new ATOM 0 HA SER A 12 -0.442 -0.301 13.227 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.725 1.745 12.576 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.851 0.355 13.635 1.00 0.00 H new ATOM 0 HG SER A 12 2.789 -0.180 11.634 1.00 0.00 H new ATOM 164 N LEU A 13 -1.412 2.688 13.288 1.00 0.00 N ATOM 165 CA LEU A 13 -1.911 3.791 14.122 1.00 0.00 C ATOM 166 C LEU A 13 -3.406 3.599 14.461 1.00 0.00 C ATOM 167 O LEU A 13 -3.766 3.594 15.639 1.00 0.00 O ATOM 168 CB LEU A 13 -1.650 5.146 13.404 1.00 0.00 C ATOM 169 CG LEU A 13 -0.559 5.958 14.124 1.00 0.00 C ATOM 170 CD1 LEU A 13 0.802 5.294 13.903 1.00 0.00 C ATOM 171 CD2 LEU A 13 -0.524 7.375 13.547 1.00 0.00 C ATOM 0 H LEU A 13 -1.739 2.705 12.322 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.372 3.795 15.069 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.349 4.962 12.373 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.573 5.725 13.368 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.778 5.996 15.191 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.575 5.869 14.413 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.781 4.280 14.303 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.021 5.259 12.836 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.247 7.955 14.053 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.302 7.328 12.481 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.493 7.852 13.695 1.00 0.00 H new ATOM 183 N PRO A 14 -4.280 3.443 13.487 1.00 0.00 N ATOM 184 CA PRO A 14 -5.745 3.254 13.755 1.00 0.00 C ATOM 185 C PRO A 14 -6.045 2.085 14.701 1.00 0.00 C ATOM 186 O PRO A 14 -6.830 2.221 15.636 1.00 0.00 O ATOM 187 CB PRO A 14 -6.345 2.979 12.361 1.00 0.00 C ATOM 188 CG PRO A 14 -5.371 3.564 11.392 1.00 0.00 C ATOM 189 CD PRO A 14 -3.992 3.429 12.039 1.00 0.00 C ATOM 0 HA PRO A 14 -6.164 4.128 14.254 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.474 1.910 12.192 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.328 3.439 12.258 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.407 3.037 10.438 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.605 4.609 11.188 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.498 2.505 11.738 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.334 4.250 11.754 1.00 0.00 H new ATOM 197 N LEU A 15 -5.438 0.934 14.428 1.00 0.00 N ATOM 198 CA LEU A 15 -5.678 -0.257 15.241 1.00 0.00 C ATOM 199 C LEU A 15 -5.220 -0.049 16.680 1.00 0.00 C ATOM 200 O LEU A 15 -5.918 -0.424 17.623 1.00 0.00 O ATOM 201 CB LEU A 15 -4.935 -1.453 14.637 1.00 0.00 C ATOM 202 CG LEU A 15 -5.546 -1.822 13.276 1.00 0.00 C ATOM 203 CD1 LEU A 15 -4.608 -2.792 12.554 1.00 0.00 C ATOM 204 CD2 LEU A 15 -6.926 -2.487 13.455 1.00 0.00 C ATOM 0 H LEU A 15 -4.782 0.799 13.658 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.751 -0.450 15.248 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.879 -1.212 14.517 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.992 -2.306 15.313 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.674 -0.911 12.691 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.035 -3.059 11.587 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.638 -2.317 12.404 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.482 -3.692 13.156 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.338 -2.739 12.478 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.818 -3.395 14.048 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.599 -1.798 13.966 1.00 0.00 H new ATOM 216 N LEU A 16 -4.048 0.548 16.847 1.00 0.00 N ATOM 217 CA LEU A 16 -3.517 0.794 18.181 1.00 0.00 C ATOM 218 C LEU A 16 -4.418 1.763 18.947 1.00 0.00 C ATOM 219 O LEU A 16 -4.644 1.597 20.146 1.00 0.00 O ATOM 220 CB LEU A 16 -2.090 1.355 18.088 1.00 0.00 C ATOM 221 CG LEU A 16 -1.094 0.204 17.891 1.00 0.00 C ATOM 222 CD1 LEU A 16 -1.443 -0.556 16.609 1.00 0.00 C ATOM 223 CD2 LEU A 16 0.333 0.767 17.799 1.00 0.00 C ATOM 0 H LEU A 16 -3.452 0.868 16.084 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.489 -0.152 18.722 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.018 2.057 17.257 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.847 1.908 18.995 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.151 -0.479 18.739 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.737 -1.374 16.467 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.453 -0.958 16.688 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.388 0.122 15.758 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.039 -0.052 17.659 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.400 1.452 16.954 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.574 1.300 18.719 1.00 0.00 H new ATOM 235 N ASN A 17 -4.920 2.776 18.249 1.00 0.00 N ATOM 236 CA ASN A 17 -5.788 3.765 18.879 1.00 0.00 C ATOM 237 C ASN A 17 -7.057 3.103 19.409 1.00 0.00 C ATOM 238 O ASN A 17 -7.506 3.401 20.515 1.00 0.00 O ATOM 239 CB ASN A 17 -6.161 4.851 17.866 1.00 0.00 C ATOM 240 CG ASN A 17 -7.090 5.869 18.517 1.00 0.00 C ATOM 241 OD1 ASN A 17 -8.290 5.884 18.242 1.00 0.00 O ATOM 242 ND2 ASN A 17 -6.602 6.727 19.370 1.00 0.00 N ATOM 0 H ASN A 17 -4.743 2.934 17.257 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.251 4.215 19.714 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.261 5.347 17.503 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.648 4.402 17.001 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.215 7.413 19.811 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.607 6.712 19.596 1.00 0.00 H new ATOM 249 N VAL A 18 -7.625 2.198 18.620 1.00 0.00 N ATOM 250 CA VAL A 18 -8.835 1.494 19.033 1.00 0.00 C ATOM 251 C VAL A 18 -8.537 0.613 20.240 1.00 0.00 C ATOM 252 O VAL A 18 -9.284 0.598 21.219 1.00 0.00 O ATOM 253 CB VAL A 18 -9.358 0.631 17.882 1.00 0.00 C ATOM 254 CG1 VAL A 18 -10.551 -0.202 18.363 1.00 0.00 C ATOM 255 CG2 VAL A 18 -9.799 1.535 16.727 1.00 0.00 C ATOM 0 H VAL A 18 -7.272 1.936 17.700 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.595 2.228 19.303 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.566 -0.036 17.541 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.921 -0.815 17.542 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.237 -0.846 19.184 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.344 0.462 18.706 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.172 0.922 15.907 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.590 2.203 17.069 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.950 2.125 16.382 1.00 0.00 H new ATOM 265 N ILE A 19 -7.430 -0.119 20.160 1.00 0.00 N ATOM 266 CA ILE A 19 -7.019 -1.003 21.243 1.00 0.00 C ATOM 267 C ILE A 19 -6.697 -0.194 22.494 1.00 0.00 C ATOM 268 O ILE A 19 -7.080 -0.564 23.604 1.00 0.00 O ATOM 269 CB ILE A 19 -5.788 -1.804 20.808 1.00 0.00 C ATOM 270 CG1 ILE A 19 -6.195 -2.772 19.694 1.00 0.00 C ATOM 271 CG2 ILE A 19 -5.228 -2.596 21.996 1.00 0.00 C ATOM 272 CD1 ILE A 19 -4.941 -3.361 19.043 1.00 0.00 C ATOM 0 H ILE A 19 -6.802 -0.117 19.356 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.835 -1.688 21.473 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.019 -1.121 20.447 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.815 -3.571 20.101 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.795 -2.252 18.947 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.353 -3.162 21.676 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.943 -1.907 22.791 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.989 -3.283 22.366 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.232 -4.050 18.250 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.338 -2.557 18.622 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.359 -3.896 19.793 1.00 0.00 H new ATOM 284 N ALA A 20 -5.983 0.912 22.303 1.00 0.00 N ATOM 285 CA ALA A 20 -5.605 1.774 23.421 1.00 0.00 C ATOM 286 C ALA A 20 -6.728 2.753 23.750 1.00 0.00 C ATOM 287 O ALA A 20 -6.736 3.358 24.821 1.00 0.00 O ATOM 288 CB ALA A 20 -4.328 2.546 23.073 1.00 0.00 C ATOM 0 H ALA A 20 -5.656 1.232 21.391 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.423 1.149 24.295 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.051 3.187 23.910 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.520 1.842 22.872 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.503 3.159 22.189 1.00 0.00 H new HETATM 294 N NH2 A 21 -7.681 2.948 22.882 1.00 0.00 N TER 297 NH2 A 21