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 USER MOD Single : A 17 ASN : amide:sc= -2.61 K(o=-2.6,f=-4.3!) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 -0.090 -6.442 -1.919 1.00 0.00 C HETATM 2 O ACE A 0 0.246 -5.829 -2.932 1.00 0.00 O HETATM 3 CH3 ACE A 0 -1.526 -6.378 -1.409 1.00 0.00 C HETATM 0 H1 ACE A 0 -1.952 -7.381 -1.395 1.00 0.00 H new HETATM 0 H2 ACE A 0 -1.536 -5.965 -0.400 1.00 0.00 H new HETATM 0 H3 ACE A 0 -2.118 -5.742 -2.067 1.00 0.00 H new ATOM 7 N LEU A 1 0.753 -7.189 -1.208 1.00 0.00 N ATOM 8 CA LEU A 1 2.157 -7.333 -1.590 1.00 0.00 C ATOM 9 C LEU A 1 2.724 -6.008 -2.094 1.00 0.00 C ATOM 10 O LEU A 1 3.641 -5.985 -2.917 1.00 0.00 O ATOM 11 CB LEU A 1 2.293 -8.392 -2.686 1.00 0.00 C ATOM 12 CG LEU A 1 1.903 -9.772 -2.136 1.00 0.00 C ATOM 13 CD1 LEU A 1 1.800 -10.770 -3.295 1.00 0.00 C ATOM 14 CD2 LEU A 1 2.953 -10.266 -1.118 1.00 0.00 C ATOM 0 H LEU A 1 0.490 -7.702 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 1 2.719 -7.641 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.655 -8.135 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.318 -8.415 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 1 0.940 -9.691 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.523 -11.750 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.041 -10.431 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.762 -10.839 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.660 -11.245 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.925 -10.342 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.017 -9.561 -0.290 1.00 0.00 H new ATOM 26 N GLY A 2 2.175 -4.905 -1.592 1.00 0.00 N ATOM 27 CA GLY A 2 2.633 -3.581 -1.996 1.00 0.00 C ATOM 28 C GLY A 2 2.152 -2.516 -1.017 1.00 0.00 C ATOM 29 O GLY A 2 2.849 -1.532 -0.766 1.00 0.00 O ATOM 0 H GLY A 2 1.417 -4.902 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.722 -3.568 -2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.264 -3.354 -2.996 1.00 0.00 H new ATOM 33 N LEU A 3 0.959 -2.719 -0.466 1.00 0.00 N ATOM 34 CA LEU A 3 0.394 -1.766 0.485 1.00 0.00 C ATOM 35 C LEU A 3 0.949 -2.020 1.883 1.00 0.00 C ATOM 36 O LEU A 3 0.741 -1.225 2.799 1.00 0.00 O ATOM 37 CB LEU A 3 -1.132 -1.902 0.510 1.00 0.00 C ATOM 38 CG LEU A 3 -1.708 -1.644 -0.889 1.00 0.00 C ATOM 39 CD1 LEU A 3 -3.221 -1.881 -0.857 1.00 0.00 C ATOM 40 CD2 LEU A 3 -1.423 -0.195 -1.324 1.00 0.00 C ATOM 0 H LEU A 3 0.368 -3.528 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 3 0.666 -0.758 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.410 -2.900 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.556 -1.195 1.222 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.239 -2.322 -1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.639 -1.700 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.422 -2.911 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.681 -1.201 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.837 -0.025 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.884 0.495 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.346 -0.027 -1.346 1.00 0.00 H new ATOM 52 N LEU A 4 1.652 -3.137 2.041 1.00 0.00 N ATOM 53 CA LEU A 4 2.228 -3.489 3.334 1.00 0.00 C ATOM 54 C LEU A 4 3.266 -2.449 3.758 1.00 0.00 C ATOM 55 O LEU A 4 3.321 -2.057 4.924 1.00 0.00 O ATOM 56 CB LEU A 4 2.882 -4.878 3.251 1.00 0.00 C ATOM 57 CG LEU A 4 1.815 -5.983 3.371 1.00 0.00 C ATOM 58 CD1 LEU A 4 1.261 -6.059 4.810 1.00 0.00 C ATOM 59 CD2 LEU A 4 0.673 -5.699 2.387 1.00 0.00 C ATOM 0 H LEU A 4 1.836 -3.809 1.296 1.00 0.00 H new ATOM 0 HA LEU A 4 1.432 -3.509 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.415 -4.980 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.619 -4.988 4.046 1.00 0.00 H new ATOM 0 HG LEU A 4 2.276 -6.941 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.510 -6.846 4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.074 -6.280 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.808 -5.104 5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.082 -6.480 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.224 -4.733 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.065 -5.681 1.370 1.00 0.00 H new ATOM 71 N SER A 5 4.091 -2.010 2.811 1.00 0.00 N ATOM 72 CA SER A 5 5.119 -1.021 3.117 1.00 0.00 C ATOM 73 C SER A 5 4.492 0.273 3.624 1.00 0.00 C ATOM 74 O SER A 5 4.935 0.839 4.624 1.00 0.00 O ATOM 75 CB SER A 5 5.954 -0.737 1.869 1.00 0.00 C ATOM 76 OG SER A 5 6.724 -1.887 1.547 1.00 0.00 O ATOM 0 H SER A 5 4.069 -2.318 1.839 1.00 0.00 H new ATOM 0 HA SER A 5 5.762 -1.423 3.900 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.304 -0.475 1.034 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.609 0.117 2.042 1.00 0.00 H new ATOM 0 HG SER A 5 7.259 -1.708 0.746 1.00 0.00 H new ATOM 82 N TYR A 6 3.453 0.733 2.937 1.00 0.00 N ATOM 83 CA TYR A 6 2.769 1.956 3.341 1.00 0.00 C ATOM 84 C TYR A 6 2.104 1.760 4.698 1.00 0.00 C ATOM 85 O TYR A 6 2.174 2.628 5.569 1.00 0.00 O ATOM 86 CB TYR A 6 1.723 2.346 2.296 1.00 0.00 C ATOM 87 CG TYR A 6 2.420 2.789 1.030 1.00 0.00 C ATOM 88 CD1 TYR A 6 2.834 4.119 0.885 1.00 0.00 C ATOM 89 CD2 TYR A 6 2.657 1.871 0.000 1.00 0.00 C ATOM 90 CE1 TYR A 6 3.480 4.529 -0.290 1.00 0.00 C ATOM 91 CE2 TYR A 6 3.303 2.278 -1.173 1.00 0.00 C ATOM 92 CZ TYR A 6 3.715 3.608 -1.317 1.00 0.00 C ATOM 93 OH TYR A 6 4.352 4.008 -2.473 1.00 0.00 O ATOM 0 H TYR A 6 3.069 0.283 2.106 1.00 0.00 H new ATOM 0 HA TYR A 6 3.503 2.758 3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.068 1.500 2.087 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.093 3.149 2.678 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.656 4.829 1.679 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.340 0.845 0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.796 5.556 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.483 1.567 -1.966 1.00 0.00 H new ATOM 0 HH TYR A 6 4.436 3.244 -3.081 1.00 0.00 H new ATOM 103 N GLY A 7 1.465 0.604 4.874 1.00 0.00 N ATOM 104 CA GLY A 7 0.791 0.278 6.131 1.00 0.00 C ATOM 105 C GLY A 7 1.681 -0.603 6.999 1.00 0.00 C ATOM 106 O GLY A 7 1.193 -1.437 7.764 1.00 0.00 O ATOM 0 H GLY A 7 1.400 -0.123 4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.543 1.195 6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.149 -0.235 5.925 1.00 0.00 H new ATOM 110 N ALA A 8 2.988 -0.413 6.873 1.00 0.00 N ATOM 111 CA ALA A 8 3.946 -1.196 7.646 1.00 0.00 C ATOM 112 C ALA A 8 3.735 -0.980 9.142 1.00 0.00 C ATOM 113 O ALA A 8 3.873 -1.910 9.935 1.00 0.00 O ATOM 114 CB ALA A 8 5.374 -0.792 7.262 1.00 0.00 C ATOM 0 H ALA A 8 3.409 0.273 6.246 1.00 0.00 H new ATOM 0 HA ALA A 8 3.793 -2.252 7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.086 -1.379 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.531 -0.977 6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.521 0.267 7.472 1.00 0.00 H new ATOM 120 N GLY A 9 3.399 0.247 9.521 1.00 0.00 N ATOM 121 CA GLY A 9 3.174 0.562 10.927 1.00 0.00 C ATOM 122 C GLY A 9 3.104 2.068 11.157 1.00 0.00 C ATOM 123 O GLY A 9 3.479 2.558 12.221 1.00 0.00 O ATOM 0 H GLY A 9 3.277 1.033 8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.246 0.098 11.261 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.977 0.138 11.529 1.00 0.00 H new ATOM 127 N VAL A 10 2.611 2.800 10.160 1.00 0.00 N ATOM 128 CA VAL A 10 2.489 4.250 10.275 1.00 0.00 C ATOM 129 C VAL A 10 1.131 4.610 10.865 1.00 0.00 C ATOM 130 O VAL A 10 1.019 4.920 12.051 1.00 0.00 O ATOM 131 CB VAL A 10 2.632 4.894 8.895 1.00 0.00 C ATOM 132 CG1 VAL A 10 2.457 6.408 9.014 1.00 0.00 C ATOM 133 CG2 VAL A 10 4.022 4.585 8.333 1.00 0.00 C ATOM 0 H VAL A 10 2.292 2.416 9.271 1.00 0.00 H new ATOM 0 HA VAL A 10 3.277 4.621 10.930 1.00 0.00 H new ATOM 0 HB VAL A 10 1.869 4.494 8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.559 6.865 8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.468 6.630 9.416 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.219 6.811 9.682 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.127 5.043 7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.783 4.986 9.003 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.148 3.506 8.246 1.00 0.00 H new ATOM 143 N ALA A 11 0.101 4.558 10.024 1.00 0.00 N ATOM 144 CA ALA A 11 -1.265 4.867 10.456 1.00 0.00 C ATOM 145 C ALA A 11 -2.044 3.578 10.687 1.00 0.00 C ATOM 146 O ALA A 11 -3.169 3.600 11.186 1.00 0.00 O ATOM 147 CB ALA A 11 -1.978 5.697 9.387 1.00 0.00 C ATOM 0 H ALA A 11 0.183 4.305 9.039 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.215 5.435 11.385 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.992 5.922 9.717 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.434 6.628 9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.016 5.134 8.455 1.00 0.00 H new ATOM 153 N SER A 12 -1.435 2.461 10.301 1.00 0.00 N ATOM 154 CA SER A 12 -2.068 1.155 10.445 1.00 0.00 C ATOM 155 C SER A 12 -1.821 0.568 11.830 1.00 0.00 C ATOM 156 O SER A 12 -2.124 -0.598 12.071 1.00 0.00 O ATOM 157 CB SER A 12 -1.526 0.198 9.383 1.00 0.00 C ATOM 158 OG SER A 12 -1.979 0.611 8.101 1.00 0.00 O ATOM 0 H SER A 12 -0.504 2.434 9.886 1.00 0.00 H new ATOM 0 HA SER A 12 -3.142 1.286 10.315 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.436 0.187 9.410 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.860 -0.819 9.589 1.00 0.00 H new ATOM 0 HG SER A 12 -1.768 -0.082 7.441 1.00 0.00 H new ATOM 164 N LEU A 13 -1.266 1.374 12.740 1.00 0.00 N ATOM 165 CA LEU A 13 -0.986 0.902 14.103 1.00 0.00 C ATOM 166 C LEU A 13 -1.544 1.878 15.158 1.00 0.00 C ATOM 167 O LEU A 13 -2.279 1.455 16.050 1.00 0.00 O ATOM 168 CB LEU A 13 0.544 0.695 14.285 1.00 0.00 C ATOM 169 CG LEU A 13 0.896 -0.792 14.520 1.00 0.00 C ATOM 170 CD1 LEU A 13 0.203 -1.321 15.796 1.00 0.00 C ATOM 171 CD2 LEU A 13 0.480 -1.639 13.296 1.00 0.00 C ATOM 0 H LEU A 13 -1.004 2.344 12.563 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.489 -0.054 14.250 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.068 1.058 13.401 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.894 1.290 15.129 1.00 0.00 H new ATOM 0 HG LEU A 13 1.975 -0.874 14.655 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.463 -2.369 15.944 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.534 -0.740 16.657 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.878 -1.227 15.689 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.733 -2.684 13.474 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.595 -1.548 13.139 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.008 -1.283 12.411 1.00 0.00 H new ATOM 183 N PRO A 14 -1.219 3.152 15.096 1.00 0.00 N ATOM 184 CA PRO A 14 -1.726 4.140 16.103 1.00 0.00 C ATOM 185 C PRO A 14 -3.252 4.158 16.191 1.00 0.00 C ATOM 186 O PRO A 14 -3.821 4.100 17.281 1.00 0.00 O ATOM 187 CB PRO A 14 -1.188 5.493 15.600 1.00 0.00 C ATOM 188 CG PRO A 14 -0.019 5.144 14.742 1.00 0.00 C ATOM 189 CD PRO A 14 -0.366 3.805 14.093 1.00 0.00 C ATOM 0 HA PRO A 14 -1.393 3.892 17.111 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.946 6.034 15.034 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.892 6.134 16.430 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.155 5.911 13.987 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.892 5.067 15.335 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.890 3.941 13.147 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.527 3.217 13.881 1.00 0.00 H new ATOM 197 N LEU A 15 -3.909 4.241 15.038 1.00 0.00 N ATOM 198 CA LEU A 15 -5.366 4.270 15.002 1.00 0.00 C ATOM 199 C LEU A 15 -5.939 2.961 15.533 1.00 0.00 C ATOM 200 O LEU A 15 -6.895 2.957 16.309 1.00 0.00 O ATOM 201 CB LEU A 15 -5.847 4.493 13.565 1.00 0.00 C ATOM 202 CG LEU A 15 -5.484 5.910 13.098 1.00 0.00 C ATOM 203 CD1 LEU A 15 -5.726 6.018 11.590 1.00 0.00 C ATOM 204 CD2 LEU A 15 -6.335 6.964 13.837 1.00 0.00 C ATOM 0 H LEU A 15 -3.459 4.289 14.124 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.712 5.089 15.633 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.392 3.756 12.903 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.926 4.349 13.508 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.434 6.098 13.322 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.470 7.022 11.251 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.104 5.290 11.069 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.776 5.819 11.375 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.061 7.961 13.491 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.391 6.787 13.634 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.155 6.890 14.909 1.00 0.00 H new ATOM 216 N LEU A 16 -5.345 1.851 15.109 1.00 0.00 N ATOM 217 CA LEU A 16 -5.800 0.539 15.549 1.00 0.00 C ATOM 218 C LEU A 16 -5.538 0.363 17.039 1.00 0.00 C ATOM 219 O LEU A 16 -6.334 -0.247 17.753 1.00 0.00 O ATOM 220 CB LEU A 16 -5.088 -0.565 14.760 1.00 0.00 C ATOM 221 CG LEU A 16 -5.144 -0.266 13.254 1.00 0.00 C ATOM 222 CD1 LEU A 16 -4.670 -1.496 12.470 1.00 0.00 C ATOM 223 CD2 LEU A 16 -6.576 0.089 12.832 1.00 0.00 C ATOM 0 H LEU A 16 -4.553 1.834 14.466 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.872 0.466 15.367 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.050 -0.641 15.084 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.557 -1.527 14.964 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.493 0.582 13.039 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.710 -1.284 11.402 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.646 -1.736 12.754 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.317 -2.343 12.696 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.599 0.298 11.762 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.238 -0.748 13.052 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.909 0.970 13.381 1.00 0.00 H new ATOM 235 N ASN A 17 -4.411 0.894 17.504 1.00 0.00 N ATOM 236 CA ASN A 17 -4.050 0.785 18.911 1.00 0.00 C ATOM 237 C ASN A 17 -5.097 1.462 19.789 1.00 0.00 C ATOM 238 O ASN A 17 -5.477 0.934 20.835 1.00 0.00 O ATOM 239 CB ASN A 17 -2.685 1.434 19.150 1.00 0.00 C ATOM 240 CG ASN A 17 -1.584 0.580 18.533 1.00 0.00 C ATOM 241 OD1 ASN A 17 -1.795 -0.598 18.251 1.00 0.00 O ATOM 242 ND2 ASN A 17 -0.410 1.107 18.310 1.00 0.00 N ATOM 0 H ASN A 17 -3.737 1.401 16.930 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.002 -0.272 19.173 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.668 2.433 18.715 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.511 1.549 20.220 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.334 0.541 17.901 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.237 2.084 18.545 1.00 0.00 H new ATOM 249 N VAL A 18 -5.568 2.626 19.356 1.00 0.00 N ATOM 250 CA VAL A 18 -6.580 3.355 20.112 1.00 0.00 C ATOM 251 C VAL A 18 -7.873 2.548 20.158 1.00 0.00 C ATOM 252 O VAL A 18 -8.499 2.416 21.210 1.00 0.00 O ATOM 253 CB VAL A 18 -6.843 4.720 19.465 1.00 0.00 C ATOM 254 CG1 VAL A 18 -7.997 5.420 20.189 1.00 0.00 C ATOM 255 CG2 VAL A 18 -5.583 5.581 19.570 1.00 0.00 C ATOM 0 H VAL A 18 -5.269 3.082 18.494 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.217 3.510 21.128 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.106 4.579 18.417 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.182 6.390 19.727 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.896 4.807 20.118 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.736 5.562 21.238 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.767 6.552 19.111 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.323 5.719 20.620 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.760 5.086 19.055 1.00 0.00 H new ATOM 265 N ILE A 19 -8.255 2.003 19.009 1.00 0.00 N ATOM 266 CA ILE A 19 -9.468 1.200 18.918 1.00 0.00 C ATOM 267 C ILE A 19 -9.323 -0.048 19.781 1.00 0.00 C ATOM 268 O ILE A 19 -10.245 -0.433 20.500 1.00 0.00 O ATOM 269 CB ILE A 19 -9.711 0.797 17.461 1.00 0.00 C ATOM 270 CG1 ILE A 19 -10.039 2.047 16.644 1.00 0.00 C ATOM 271 CG2 ILE A 19 -10.888 -0.179 17.379 1.00 0.00 C ATOM 272 CD1 ILE A 19 -10.002 1.706 15.153 1.00 0.00 C ATOM 0 H ILE A 19 -7.745 2.102 18.131 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.316 1.786 19.274 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.816 0.316 17.066 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.024 2.425 16.917 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.322 2.838 16.865 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -11.055 -0.461 16.339 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.663 -1.070 17.965 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -11.785 0.298 17.774 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -10.236 2.597 14.570 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.008 1.348 14.886 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.736 0.929 14.939 1.00 0.00 H new ATOM 284 N ALA A 20 -8.152 -0.673 19.698 1.00 0.00 N ATOM 285 CA ALA A 20 -7.880 -1.882 20.472 1.00 0.00 C ATOM 286 C ALA A 20 -7.375 -1.520 21.864 1.00 0.00 C ATOM 287 O ALA A 20 -7.156 -2.399 22.697 1.00 0.00 O ATOM 288 CB ALA A 20 -6.830 -2.734 19.754 1.00 0.00 C ATOM 0 H ALA A 20 -7.380 -0.365 19.107 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.806 -2.449 20.567 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.632 -3.634 20.336 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.201 -3.014 18.768 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.909 -2.161 19.646 1.00 0.00 H new HETATM 294 N NH2 A 21 -7.170 -0.267 22.165 1.00 0.00 N TER 297 NH2 A 21