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 -4:sc= 0.989 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -66:sc= 0.845 USER MOD Single : A 17 ASN : amide:sc= -2.22 K(o=-2.2,f=-4.3!) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 5.979 -7.894 2.097 1.00 0.00 C HETATM 2 O ACE A 0 6.158 -8.147 0.906 1.00 0.00 O HETATM 3 CH3 ACE A 0 6.991 -7.064 2.878 1.00 0.00 C HETATM 0 H1 ACE A 0 6.506 -6.167 3.263 1.00 0.00 H new HETATM 0 H2 ACE A 0 7.379 -7.652 3.710 1.00 0.00 H new HETATM 0 H3 ACE A 0 7.812 -6.779 2.221 1.00 0.00 H new ATOM 7 N LEU A 1 4.918 -8.318 2.775 1.00 0.00 N ATOM 8 CA LEU A 1 3.885 -9.121 2.132 1.00 0.00 C ATOM 9 C LEU A 1 3.203 -8.327 1.021 1.00 0.00 C ATOM 10 O LEU A 1 2.929 -8.857 -0.056 1.00 0.00 O ATOM 11 CB LEU A 1 2.837 -9.552 3.162 1.00 0.00 C ATOM 12 CG LEU A 1 3.447 -10.563 4.144 1.00 0.00 C ATOM 13 CD1 LEU A 1 2.473 -10.773 5.309 1.00 0.00 C ATOM 14 CD2 LEU A 1 3.714 -11.911 3.439 1.00 0.00 C ATOM 0 H LEU A 1 4.751 -8.121 3.762 1.00 0.00 H new ATOM 0 HA LEU A 1 4.357 -10.004 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.470 -8.681 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.980 -9.996 2.656 1.00 0.00 H new ATOM 0 HG LEU A 1 4.396 -10.175 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.897 -11.490 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.303 -9.823 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.526 -11.155 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.146 -12.614 4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.776 -12.313 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.408 -11.758 2.613 1.00 0.00 H new ATOM 26 N GLY A 2 2.929 -7.054 1.294 1.00 0.00 N ATOM 27 CA GLY A 2 2.273 -6.189 0.316 1.00 0.00 C ATOM 28 C GLY A 2 1.443 -5.120 1.014 1.00 0.00 C ATOM 29 O GLY A 2 1.067 -4.115 0.409 1.00 0.00 O ATOM 0 H GLY A 2 3.150 -6.600 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.022 -5.717 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 2 1.634 -6.786 -0.334 1.00 0.00 H new ATOM 33 N LEU A 3 1.164 -5.347 2.292 1.00 0.00 N ATOM 34 CA LEU A 3 0.378 -4.404 3.082 1.00 0.00 C ATOM 35 C LEU A 3 1.287 -3.354 3.712 1.00 0.00 C ATOM 36 O LEU A 3 0.819 -2.449 4.400 1.00 0.00 O ATOM 37 CB LEU A 3 -0.384 -5.145 4.186 1.00 0.00 C ATOM 38 CG LEU A 3 -1.363 -6.152 3.567 1.00 0.00 C ATOM 39 CD1 LEU A 3 -2.029 -6.952 4.692 1.00 0.00 C ATOM 40 CD2 LEU A 3 -2.441 -5.415 2.746 1.00 0.00 C ATOM 0 H LEU A 3 1.469 -6.175 2.804 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.334 -3.911 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.319 -5.663 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.927 -4.431 4.805 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.819 -6.824 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.727 -7.671 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.266 -7.482 5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.568 -6.272 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.128 -6.142 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.993 -4.736 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.965 -4.846 1.948 1.00 0.00 H new ATOM 52 N LEU A 4 2.587 -3.481 3.471 1.00 0.00 N ATOM 53 CA LEU A 4 3.548 -2.531 4.020 1.00 0.00 C ATOM 54 C LEU A 4 3.276 -1.132 3.474 1.00 0.00 C ATOM 55 O LEU A 4 3.327 -0.146 4.208 1.00 0.00 O ATOM 56 CB LEU A 4 4.974 -2.967 3.658 1.00 0.00 C ATOM 57 CG LEU A 4 6.002 -1.941 4.161 1.00 0.00 C ATOM 58 CD1 LEU A 4 5.843 -1.721 5.673 1.00 0.00 C ATOM 59 CD2 LEU A 4 7.409 -2.469 3.866 1.00 0.00 C ATOM 0 H LEU A 4 2.997 -4.224 2.905 1.00 0.00 H new ATOM 0 HA LEU A 4 3.445 -2.510 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.183 -3.943 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.062 -3.077 2.577 1.00 0.00 H new ATOM 0 HG LEU A 4 5.842 -0.990 3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.578 -0.992 6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.840 -1.350 5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.998 -2.665 6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.149 -1.750 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.555 -3.420 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.526 -2.613 2.792 1.00 0.00 H new ATOM 71 N SER A 5 2.987 -1.060 2.179 1.00 0.00 N ATOM 72 CA SER A 5 2.707 0.217 1.532 1.00 0.00 C ATOM 73 C SER A 5 1.258 0.637 1.769 1.00 0.00 C ATOM 74 O SER A 5 0.792 1.628 1.209 1.00 0.00 O ATOM 75 CB SER A 5 2.963 0.105 0.030 1.00 0.00 C ATOM 76 OG SER A 5 2.512 1.288 -0.614 1.00 0.00 O ATOM 0 H SER A 5 2.941 -1.868 1.558 1.00 0.00 H new ATOM 0 HA SER A 5 3.366 0.971 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.026 -0.043 -0.159 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.444 -0.764 -0.375 1.00 0.00 H new ATOM 0 HG SER A 5 2.082 1.874 0.043 1.00 0.00 H new ATOM 82 N TYR A 6 0.552 -0.126 2.598 1.00 0.00 N ATOM 83 CA TYR A 6 -0.845 0.172 2.895 1.00 0.00 C ATOM 84 C TYR A 6 -0.974 1.558 3.518 1.00 0.00 C ATOM 85 O TYR A 6 -1.829 2.350 3.122 1.00 0.00 O ATOM 86 CB TYR A 6 -1.405 -0.876 3.858 1.00 0.00 C ATOM 87 CG TYR A 6 -2.855 -0.577 4.150 1.00 0.00 C ATOM 88 CD1 TYR A 6 -3.196 0.275 5.206 1.00 0.00 C ATOM 89 CD2 TYR A 6 -3.857 -1.161 3.369 1.00 0.00 C ATOM 90 CE1 TYR A 6 -4.542 0.543 5.480 1.00 0.00 C ATOM 91 CE2 TYR A 6 -5.201 -0.894 3.641 1.00 0.00 C ATOM 92 CZ TYR A 6 -5.546 -0.041 4.697 1.00 0.00 C ATOM 93 OH TYR A 6 -6.873 0.224 4.965 1.00 0.00 O ATOM 0 H TYR A 6 0.921 -0.950 3.073 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.411 0.150 1.964 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.310 -1.871 3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.830 -0.876 4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.421 0.725 5.809 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.592 -1.819 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.807 1.200 6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.974 -1.345 3.037 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.438 -0.260 4.327 1.00 0.00 H new ATOM 103 N GLY A 7 -0.118 1.845 4.500 1.00 0.00 N ATOM 104 CA GLY A 7 -0.135 3.143 5.182 1.00 0.00 C ATOM 105 C GLY A 7 1.253 3.776 5.185 1.00 0.00 C ATOM 106 O GLY A 7 1.410 4.946 5.531 1.00 0.00 O ATOM 0 H GLY A 7 0.594 1.199 4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.841 3.809 4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.483 3.015 6.207 1.00 0.00 H new ATOM 110 N ALA A 8 2.257 2.996 4.796 1.00 0.00 N ATOM 111 CA ALA A 8 3.628 3.494 4.759 1.00 0.00 C ATOM 112 C ALA A 8 3.956 4.263 6.035 1.00 0.00 C ATOM 113 O ALA A 8 4.935 5.006 6.089 1.00 0.00 O ATOM 114 CB ALA A 8 3.820 4.407 3.547 1.00 0.00 C ATOM 0 H ALA A 8 2.149 2.025 4.504 1.00 0.00 H new ATOM 0 HA ALA A 8 4.301 2.640 4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.846 4.774 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.617 3.847 2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.134 5.251 3.615 1.00 0.00 H new ATOM 120 N GLY A 9 3.127 4.079 7.061 1.00 0.00 N ATOM 121 CA GLY A 9 3.330 4.759 8.341 1.00 0.00 C ATOM 122 C GLY A 9 1.992 5.085 8.994 1.00 0.00 C ATOM 123 O GLY A 9 1.888 5.152 10.219 1.00 0.00 O ATOM 0 H GLY A 9 2.311 3.467 7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.920 4.127 9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.898 5.676 8.185 1.00 0.00 H new ATOM 127 N VAL A 10 0.972 5.286 8.168 1.00 0.00 N ATOM 128 CA VAL A 10 -0.360 5.600 8.672 1.00 0.00 C ATOM 129 C VAL A 10 -0.916 4.428 9.473 1.00 0.00 C ATOM 130 O VAL A 10 -1.506 4.615 10.539 1.00 0.00 O ATOM 131 CB VAL A 10 -1.297 5.932 7.510 1.00 0.00 C ATOM 132 CG1 VAL A 10 -2.718 6.157 8.040 1.00 0.00 C ATOM 133 CG2 VAL A 10 -0.802 7.201 6.812 1.00 0.00 C ATOM 0 H VAL A 10 1.041 5.238 7.151 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.288 6.467 9.328 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.307 5.104 6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.383 6.393 7.209 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.068 5.253 8.539 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.715 6.985 8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.466 7.443 5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.794 8.027 7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.207 7.038 6.433 1.00 0.00 H new ATOM 143 N ALA A 11 -0.724 3.222 8.952 1.00 0.00 N ATOM 144 CA ALA A 11 -1.206 2.019 9.621 1.00 0.00 C ATOM 145 C ALA A 11 -0.667 1.942 11.048 1.00 0.00 C ATOM 146 O ALA A 11 -1.022 1.040 11.809 1.00 0.00 O ATOM 147 CB ALA A 11 -0.750 0.781 8.852 1.00 0.00 C ATOM 0 H ALA A 11 -0.239 3.051 8.071 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.295 2.059 9.652 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.113 -0.115 9.356 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.150 0.814 7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.339 0.759 8.811 1.00 0.00 H new ATOM 153 N SER A 12 0.209 2.882 11.396 1.00 0.00 N ATOM 154 CA SER A 12 0.816 2.910 12.723 1.00 0.00 C ATOM 155 C SER A 12 -0.081 3.612 13.737 1.00 0.00 C ATOM 156 O SER A 12 0.386 4.037 14.791 1.00 0.00 O ATOM 157 CB SER A 12 2.166 3.625 12.664 1.00 0.00 C ATOM 158 OG SER A 12 1.951 5.027 12.573 1.00 0.00 O ATOM 0 H SER A 12 0.514 3.634 10.777 1.00 0.00 H new ATOM 0 HA SER A 12 0.954 1.878 13.044 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.753 3.392 13.553 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.738 3.277 11.804 1.00 0.00 H new ATOM 0 HG SER A 12 1.524 5.238 11.717 1.00 0.00 H new ATOM 164 N LEU A 13 -1.371 3.743 13.417 1.00 0.00 N ATOM 165 CA LEU A 13 -2.315 4.405 14.328 1.00 0.00 C ATOM 166 C LEU A 13 -3.676 3.682 14.348 1.00 0.00 C ATOM 167 O LEU A 13 -4.164 3.335 15.423 1.00 0.00 O ATOM 168 CB LEU A 13 -2.483 5.900 13.927 1.00 0.00 C ATOM 169 CG LEU A 13 -1.978 6.839 15.039 1.00 0.00 C ATOM 170 CD1 LEU A 13 -1.794 8.252 14.472 1.00 0.00 C ATOM 171 CD2 LEU A 13 -3.001 6.879 16.179 1.00 0.00 C ATOM 0 H LEU A 13 -1.784 3.406 12.547 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.908 4.358 15.338 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.934 6.095 13.006 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.533 6.108 13.722 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.024 6.471 15.418 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.437 8.916 15.259 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.067 8.227 13.661 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.748 8.619 14.093 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.643 7.543 16.966 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.955 7.246 15.799 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.134 5.876 16.584 1.00 0.00 H new ATOM 183 N PRO A 14 -4.305 3.455 13.215 1.00 0.00 N ATOM 184 CA PRO A 14 -5.635 2.768 13.179 1.00 0.00 C ATOM 185 C PRO A 14 -5.605 1.407 13.879 1.00 0.00 C ATOM 186 O PRO A 14 -6.464 1.109 14.708 1.00 0.00 O ATOM 187 CB PRO A 14 -5.934 2.616 11.674 1.00 0.00 C ATOM 188 CG PRO A 14 -5.107 3.669 11.010 1.00 0.00 C ATOM 189 CD PRO A 14 -3.844 3.804 11.858 1.00 0.00 C ATOM 0 HA PRO A 14 -6.400 3.335 13.709 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.668 1.621 11.317 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.995 2.757 11.466 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.862 3.386 9.986 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.646 4.615 10.959 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.057 3.132 11.516 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.440 4.815 11.819 1.00 0.00 H new ATOM 197 N LEU A 15 -4.613 0.590 13.540 1.00 0.00 N ATOM 198 CA LEU A 15 -4.488 -0.730 14.146 1.00 0.00 C ATOM 199 C LEU A 15 -4.218 -0.607 15.641 1.00 0.00 C ATOM 200 O LEU A 15 -4.805 -1.324 16.450 1.00 0.00 O ATOM 201 CB LEU A 15 -3.350 -1.509 13.477 1.00 0.00 C ATOM 202 CG LEU A 15 -3.730 -1.875 12.034 1.00 0.00 C ATOM 203 CD1 LEU A 15 -2.482 -2.366 11.296 1.00 0.00 C ATOM 204 CD2 LEU A 15 -4.801 -2.984 12.016 1.00 0.00 C ATOM 0 H LEU A 15 -3.891 0.816 12.856 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.425 -1.267 14.001 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.439 -0.910 13.480 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.137 -2.415 14.045 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.136 -0.991 11.543 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.745 -2.628 10.271 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.730 -1.577 11.288 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.081 -3.244 11.803 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.055 -3.228 10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.413 -3.873 12.514 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.693 -2.637 12.537 1.00 0.00 H new ATOM 216 N LEU A 16 -3.330 0.314 15.999 1.00 0.00 N ATOM 217 CA LEU A 16 -2.995 0.531 17.400 1.00 0.00 C ATOM 218 C LEU A 16 -4.216 1.048 18.152 1.00 0.00 C ATOM 219 O LEU A 16 -4.455 0.679 19.300 1.00 0.00 O ATOM 220 CB LEU A 16 -1.851 1.537 17.521 1.00 0.00 C ATOM 221 CG LEU A 16 -0.697 1.131 16.595 1.00 0.00 C ATOM 222 CD1 LEU A 16 0.473 2.109 16.770 1.00 0.00 C ATOM 223 CD2 LEU A 16 -0.236 -0.296 16.926 1.00 0.00 C ATOM 0 H LEU A 16 -2.833 0.918 15.344 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.679 -0.417 17.835 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.204 2.535 17.260 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.502 1.582 18.553 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.041 1.161 15.561 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.292 1.819 16.111 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.145 3.118 16.518 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.815 2.086 17.805 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.583 -0.576 16.264 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.103 -0.338 17.961 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.067 -0.988 16.788 1.00 0.00 H new ATOM 235 N ASN A 17 -4.978 1.910 17.488 1.00 0.00 N ATOM 236 CA ASN A 17 -6.171 2.485 18.096 1.00 0.00 C ATOM 237 C ASN A 17 -7.174 1.392 18.446 1.00 0.00 C ATOM 238 O ASN A 17 -7.790 1.424 19.512 1.00 0.00 O ATOM 239 CB ASN A 17 -6.813 3.483 17.129 1.00 0.00 C ATOM 240 CG ASN A 17 -5.947 4.734 17.020 1.00 0.00 C ATOM 241 OD1 ASN A 17 -5.102 4.981 17.880 1.00 0.00 O ATOM 242 ND2 ASN A 17 -6.105 5.538 16.005 1.00 0.00 N ATOM 0 H ASN A 17 -4.792 2.224 16.535 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.882 2.999 19.012 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.931 3.026 16.147 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.810 3.750 17.478 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.527 6.374 15.922 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.806 5.330 15.294 1.00 0.00 H new ATOM 249 N VAL A 18 -7.327 0.419 17.552 1.00 0.00 N ATOM 250 CA VAL A 18 -8.253 -0.681 17.795 1.00 0.00 C ATOM 251 C VAL A 18 -7.799 -1.480 19.011 1.00 0.00 C ATOM 252 O VAL A 18 -8.599 -1.806 19.889 1.00 0.00 O ATOM 253 CB VAL A 18 -8.311 -1.595 16.566 1.00 0.00 C ATOM 254 CG1 VAL A 18 -9.144 -2.839 16.883 1.00 0.00 C ATOM 255 CG2 VAL A 18 -8.949 -0.839 15.397 1.00 0.00 C ATOM 0 H VAL A 18 -6.828 0.370 16.664 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.246 -0.275 17.984 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.299 -1.899 16.297 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.182 -3.485 16.006 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.689 -3.380 17.713 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.156 -2.539 17.157 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.990 -1.489 14.523 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.959 -0.533 15.670 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.352 0.043 15.165 1.00 0.00 H new ATOM 265 N ILE A 19 -6.506 -1.784 19.055 1.00 0.00 N ATOM 266 CA ILE A 19 -5.945 -2.538 20.167 1.00 0.00 C ATOM 267 C ILE A 19 -6.075 -1.731 21.455 1.00 0.00 C ATOM 268 O ILE A 19 -6.444 -2.263 22.501 1.00 0.00 O ATOM 269 CB ILE A 19 -4.462 -2.837 19.898 1.00 0.00 C ATOM 270 CG1 ILE A 19 -4.321 -3.795 18.699 1.00 0.00 C ATOM 271 CG2 ILE A 19 -3.817 -3.457 21.142 1.00 0.00 C ATOM 272 CD1 ILE A 19 -5.049 -5.127 18.945 1.00 0.00 C ATOM 0 H ILE A 19 -5.831 -1.521 18.337 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.490 -3.476 20.271 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.953 -1.902 19.663 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.724 -3.320 17.805 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.265 -3.987 18.509 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.766 -3.665 20.941 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.896 -2.762 21.978 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.329 -4.386 21.393 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.926 -5.775 18.077 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.628 -5.615 19.824 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.110 -4.937 19.108 1.00 0.00 H new ATOM 284 N ALA A 20 -5.770 -0.440 21.363 1.00 0.00 N ATOM 285 CA ALA A 20 -5.851 0.441 22.523 1.00 0.00 C ATOM 286 C ALA A 20 -7.289 0.894 22.753 1.00 0.00 C ATOM 287 O ALA A 20 -7.624 1.391 23.828 1.00 0.00 O ATOM 288 CB ALA A 20 -4.956 1.664 22.310 1.00 0.00 C ATOM 0 H ALA A 20 -5.466 0.017 20.503 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.512 -0.110 23.400 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.021 2.318 23.180 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.924 1.341 22.175 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.285 2.206 21.423 1.00 0.00 H new HETATM 294 N NH2 A 21 -8.171 0.745 21.802 1.00 0.00 N TER 297 NH2 A 21