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 -56:sc= 0.0338 USER MOD Single : A 17 ASN : amide:sc= -0.0792 X(o=-0.079,f=-0.49) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 4.567 -9.035 1.493 1.00 0.00 C HETATM 2 O ACE A 0 5.307 -9.168 0.519 1.00 0.00 O HETATM 3 CH3 ACE A 0 5.008 -9.488 2.877 1.00 0.00 C HETATM 0 H1 ACE A 0 5.011 -8.635 3.555 1.00 0.00 H new HETATM 0 H2 ACE A 0 4.318 -10.245 3.249 1.00 0.00 H new HETATM 0 H3 ACE A 0 6.012 -9.909 2.819 1.00 0.00 H new ATOM 7 N LEU A 1 3.359 -8.491 1.417 1.00 0.00 N ATOM 8 CA LEU A 1 2.827 -8.012 0.149 1.00 0.00 C ATOM 9 C LEU A 1 3.686 -6.868 -0.376 1.00 0.00 C ATOM 10 O LEU A 1 3.934 -6.762 -1.577 1.00 0.00 O ATOM 11 CB LEU A 1 1.386 -7.530 0.331 1.00 0.00 C ATOM 12 CG LEU A 1 0.469 -8.724 0.643 1.00 0.00 C ATOM 13 CD1 LEU A 1 -0.913 -8.202 1.051 1.00 0.00 C ATOM 14 CD2 LEU A 1 0.336 -9.645 -0.589 1.00 0.00 C ATOM 0 H LEU A 1 2.733 -8.371 2.213 1.00 0.00 H new ATOM 0 HA LEU A 1 2.841 -8.832 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.337 -6.802 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.045 -7.025 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 1 0.904 -9.302 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -1.569 -9.044 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.818 -7.572 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -1.337 -7.618 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.317 -10.484 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -0.089 -9.082 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.320 -10.020 -0.871 1.00 0.00 H new ATOM 26 N GLY A 2 4.133 -6.008 0.537 1.00 0.00 N ATOM 27 CA GLY A 2 4.963 -4.859 0.174 1.00 0.00 C ATOM 28 C GLY A 2 4.122 -3.596 0.106 1.00 0.00 C ATOM 29 O GLY A 2 4.620 -2.516 -0.210 1.00 0.00 O ATOM 0 H GLY A 2 3.935 -6.084 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.760 -4.733 0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.440 -5.038 -0.790 1.00 0.00 H new ATOM 33 N LEU A 3 2.841 -3.746 0.410 1.00 0.00 N ATOM 34 CA LEU A 3 1.914 -2.616 0.390 1.00 0.00 C ATOM 35 C LEU A 3 1.896 -1.922 1.748 1.00 0.00 C ATOM 36 O LEU A 3 1.353 -0.826 1.890 1.00 0.00 O ATOM 37 CB LEU A 3 0.506 -3.109 0.049 1.00 0.00 C ATOM 38 CG LEU A 3 0.508 -3.794 -1.324 1.00 0.00 C ATOM 39 CD1 LEU A 3 -0.881 -4.382 -1.593 1.00 0.00 C ATOM 40 CD2 LEU A 3 0.860 -2.778 -2.427 1.00 0.00 C ATOM 0 H LEU A 3 2.417 -4.636 0.673 1.00 0.00 H new ATOM 0 HA LEU A 3 2.245 -1.905 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.161 -3.807 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.191 -2.271 0.045 1.00 0.00 H new ATOM 0 HG LEU A 3 1.255 -4.588 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.887 -4.870 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.123 -5.111 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.622 -3.583 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.858 -3.277 -3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.123 -1.975 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.849 -2.361 -2.236 1.00 0.00 H new ATOM 52 N LEU A 4 2.497 -2.567 2.743 1.00 0.00 N ATOM 53 CA LEU A 4 2.550 -2.003 4.087 1.00 0.00 C ATOM 54 C LEU A 4 3.345 -0.701 4.084 1.00 0.00 C ATOM 55 O LEU A 4 2.975 0.266 4.749 1.00 0.00 O ATOM 56 CB LEU A 4 3.204 -3.007 5.047 1.00 0.00 C ATOM 57 CG LEU A 4 2.208 -4.121 5.410 1.00 0.00 C ATOM 58 CD1 LEU A 4 2.963 -5.252 6.119 1.00 0.00 C ATOM 59 CD2 LEU A 4 1.091 -3.582 6.334 1.00 0.00 C ATOM 0 H LEU A 4 2.951 -3.475 2.645 1.00 0.00 H new ATOM 0 HA LEU A 4 1.533 -1.794 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.091 -3.439 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.534 -2.495 5.951 1.00 0.00 H new ATOM 0 HG LEU A 4 1.745 -4.493 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.265 -6.047 6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.732 -5.648 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.429 -4.866 7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.399 -4.388 6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.533 -3.195 7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.552 -2.782 5.825 1.00 0.00 H new ATOM 71 N SER A 5 4.442 -0.690 3.334 1.00 0.00 N ATOM 72 CA SER A 5 5.292 0.491 3.251 1.00 0.00 C ATOM 73 C SER A 5 4.526 1.675 2.673 1.00 0.00 C ATOM 74 O SER A 5 4.665 2.805 3.145 1.00 0.00 O ATOM 75 CB SER A 5 6.515 0.194 2.385 1.00 0.00 C ATOM 76 OG SER A 5 7.355 1.342 2.348 1.00 0.00 O ATOM 0 H SER A 5 4.762 -1.482 2.777 1.00 0.00 H new ATOM 0 HA SER A 5 5.616 0.749 4.259 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.062 -0.658 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.204 -0.076 1.376 1.00 0.00 H new ATOM 0 HG SER A 5 8.141 1.154 1.794 1.00 0.00 H new ATOM 82 N TYR A 6 3.719 1.413 1.654 1.00 0.00 N ATOM 83 CA TYR A 6 2.936 2.468 1.022 1.00 0.00 C ATOM 84 C TYR A 6 2.014 3.132 2.045 1.00 0.00 C ATOM 85 O TYR A 6 1.268 4.053 1.713 1.00 0.00 O ATOM 86 CB TYR A 6 2.105 1.880 -0.128 1.00 0.00 C ATOM 87 CG TYR A 6 2.985 1.681 -1.344 1.00 0.00 C ATOM 88 CD1 TYR A 6 3.877 0.604 -1.393 1.00 0.00 C ATOM 89 CD2 TYR A 6 2.905 2.574 -2.419 1.00 0.00 C ATOM 90 CE1 TYR A 6 4.691 0.421 -2.516 1.00 0.00 C ATOM 91 CE2 TYR A 6 3.720 2.392 -3.543 1.00 0.00 C ATOM 92 CZ TYR A 6 4.615 1.317 -3.590 1.00 0.00 C ATOM 93 OH TYR A 6 5.420 1.137 -4.697 1.00 0.00 O ATOM 0 H TYR A 6 3.589 0.486 1.249 1.00 0.00 H new ATOM 0 HA TYR A 6 3.616 3.221 0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.668 0.929 0.176 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.278 2.548 -0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.937 -0.086 -0.564 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.214 3.404 -2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.378 -0.411 -2.555 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.658 3.080 -4.373 1.00 0.00 H new ATOM 0 HH TYR A 6 5.241 1.845 -5.350 1.00 0.00 H new ATOM 103 N GLY A 7 2.072 2.659 3.288 1.00 0.00 N ATOM 104 CA GLY A 7 1.239 3.221 4.345 1.00 0.00 C ATOM 105 C GLY A 7 -0.160 2.623 4.307 1.00 0.00 C ATOM 106 O GLY A 7 -1.144 3.304 4.593 1.00 0.00 O ATOM 0 H GLY A 7 2.681 1.896 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.696 3.027 5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.180 4.303 4.231 1.00 0.00 H new ATOM 110 N ALA A 8 -0.246 1.345 3.953 1.00 0.00 N ATOM 111 CA ALA A 8 -1.540 0.675 3.889 1.00 0.00 C ATOM 112 C ALA A 8 -2.202 0.687 5.261 1.00 0.00 C ATOM 113 O ALA A 8 -3.415 0.857 5.379 1.00 0.00 O ATOM 114 CB ALA A 8 -1.369 -0.770 3.414 1.00 0.00 C ATOM 0 H ALA A 8 0.553 0.759 3.709 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.172 1.209 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.343 -1.257 3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.917 -0.776 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.725 -1.308 4.110 1.00 0.00 H new ATOM 120 N GLY A 9 -1.383 0.521 6.298 1.00 0.00 N ATOM 121 CA GLY A 9 -1.862 0.527 7.678 1.00 0.00 C ATOM 122 C GLY A 9 -1.076 1.545 8.489 1.00 0.00 C ATOM 123 O GLY A 9 -1.545 2.043 9.513 1.00 0.00 O ATOM 0 H GLY A 9 -0.377 0.380 6.207 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.924 0.770 7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.751 -0.465 8.116 1.00 0.00 H new ATOM 127 N VAL A 10 0.130 1.852 8.014 1.00 0.00 N ATOM 128 CA VAL A 10 0.991 2.814 8.682 1.00 0.00 C ATOM 129 C VAL A 10 1.377 2.318 10.072 1.00 0.00 C ATOM 130 O VAL A 10 2.196 2.932 10.754 1.00 0.00 O ATOM 131 CB VAL A 10 0.275 4.165 8.783 1.00 0.00 C ATOM 132 CG1 VAL A 10 1.295 5.275 9.062 1.00 0.00 C ATOM 133 CG2 VAL A 10 -0.442 4.469 7.461 1.00 0.00 C ATOM 0 H VAL A 10 0.529 1.446 7.168 1.00 0.00 H new ATOM 0 HA VAL A 10 1.903 2.933 8.097 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.450 4.121 9.596 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.780 6.233 9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.809 5.069 10.001 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.022 5.313 8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.950 5.430 7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.287 4.506 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.173 3.687 7.255 1.00 0.00 H new ATOM 143 N ALA A 11 0.779 1.208 10.496 1.00 0.00 N ATOM 144 CA ALA A 11 1.068 0.652 11.817 1.00 0.00 C ATOM 145 C ALA A 11 1.065 1.762 12.864 1.00 0.00 C ATOM 146 O ALA A 11 1.560 1.584 13.977 1.00 0.00 O ATOM 147 CB ALA A 11 2.432 -0.038 11.815 1.00 0.00 C ATOM 0 H ALA A 11 0.098 0.679 9.951 1.00 0.00 H new ATOM 0 HA ALA A 11 0.297 -0.079 12.060 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.634 -0.447 12.805 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.431 -0.845 11.082 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.205 0.685 11.557 1.00 0.00 H new ATOM 153 N SER A 12 0.507 2.911 12.489 1.00 0.00 N ATOM 154 CA SER A 12 0.436 4.067 13.382 1.00 0.00 C ATOM 155 C SER A 12 -1.002 4.561 13.489 1.00 0.00 C ATOM 156 O SER A 12 -1.254 5.765 13.523 1.00 0.00 O ATOM 157 CB SER A 12 1.327 5.189 12.841 1.00 0.00 C ATOM 158 OG SER A 12 1.640 6.090 13.895 1.00 0.00 O ATOM 0 H SER A 12 0.096 3.067 11.569 1.00 0.00 H new ATOM 0 HA SER A 12 0.783 3.772 14.372 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.242 4.772 12.420 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.817 5.717 12.035 1.00 0.00 H new ATOM 0 HG SER A 12 0.811 6.429 14.292 1.00 0.00 H new ATOM 164 N LEU A 13 -1.939 3.621 13.546 1.00 0.00 N ATOM 165 CA LEU A 13 -3.349 3.975 13.652 1.00 0.00 C ATOM 166 C LEU A 13 -4.207 2.727 13.895 1.00 0.00 C ATOM 167 O LEU A 13 -5.088 2.740 14.753 1.00 0.00 O ATOM 168 CB LEU A 13 -3.805 4.716 12.364 1.00 0.00 C ATOM 169 CG LEU A 13 -4.594 5.995 12.717 1.00 0.00 C ATOM 170 CD1 LEU A 13 -3.635 7.121 13.125 1.00 0.00 C ATOM 171 CD2 LEU A 13 -5.408 6.448 11.500 1.00 0.00 C ATOM 0 H LEU A 13 -1.751 2.619 13.521 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.481 4.641 14.505 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.935 4.975 11.761 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.426 4.055 11.760 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.260 5.774 13.551 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.208 8.015 13.371 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.057 6.809 13.995 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.958 7.339 12.299 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.965 7.351 11.750 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.734 6.656 10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.105 5.660 11.214 1.00 0.00 H new ATOM 183 N PRO A 14 -3.984 1.662 13.160 1.00 0.00 N ATOM 184 CA PRO A 14 -4.781 0.405 13.316 1.00 0.00 C ATOM 185 C PRO A 14 -4.584 -0.235 14.692 1.00 0.00 C ATOM 186 O PRO A 14 -5.544 -0.447 15.435 1.00 0.00 O ATOM 187 CB PRO A 14 -4.257 -0.511 12.186 1.00 0.00 C ATOM 188 CG PRO A 14 -3.537 0.403 11.242 1.00 0.00 C ATOM 189 CD PRO A 14 -2.965 1.517 12.111 1.00 0.00 C ATOM 0 HA PRO A 14 -5.853 0.588 13.247 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.589 -1.278 12.578 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.076 -1.028 11.686 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.746 -0.126 10.711 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.215 0.802 10.488 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.993 1.249 12.525 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.829 2.440 11.548 1.00 0.00 H new ATOM 197 N LEU A 15 -3.333 -0.542 15.021 1.00 0.00 N ATOM 198 CA LEU A 15 -3.015 -1.159 16.304 1.00 0.00 C ATOM 199 C LEU A 15 -3.351 -0.216 17.454 1.00 0.00 C ATOM 200 O LEU A 15 -3.901 -0.633 18.472 1.00 0.00 O ATOM 201 CB LEU A 15 -1.525 -1.512 16.354 1.00 0.00 C ATOM 202 CG LEU A 15 -1.217 -2.661 15.381 1.00 0.00 C ATOM 203 CD1 LEU A 15 0.301 -2.775 15.210 1.00 0.00 C ATOM 204 CD2 LEU A 15 -1.774 -3.995 15.919 1.00 0.00 C ATOM 0 H LEU A 15 -2.526 -0.375 14.420 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.612 -2.065 16.408 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.928 -0.637 16.095 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.246 -1.800 17.368 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.690 -2.450 14.422 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.529 -3.588 14.521 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.693 -1.840 14.811 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.762 -2.978 16.177 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.545 -4.795 15.215 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.317 -4.218 16.883 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.854 -3.916 16.040 1.00 0.00 H new ATOM 216 N LEU A 16 -3.010 1.056 17.284 1.00 0.00 N ATOM 217 CA LEU A 16 -3.269 2.059 18.312 1.00 0.00 C ATOM 218 C LEU A 16 -4.767 2.208 18.554 1.00 0.00 C ATOM 219 O LEU A 16 -5.211 2.344 19.695 1.00 0.00 O ATOM 220 CB LEU A 16 -2.687 3.403 17.876 1.00 0.00 C ATOM 221 CG LEU A 16 -1.153 3.332 17.870 1.00 0.00 C ATOM 222 CD1 LEU A 16 -0.606 4.557 17.133 1.00 0.00 C ATOM 223 CD2 LEU A 16 -0.602 3.306 19.309 1.00 0.00 C ATOM 0 H LEU A 16 -2.554 1.418 16.446 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.796 1.735 19.239 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.051 3.661 16.882 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.021 4.190 18.552 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.840 2.417 17.367 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.483 4.518 17.122 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.979 4.562 16.109 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.932 5.464 17.643 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.486 3.256 19.281 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.910 4.211 19.833 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.992 2.433 19.832 1.00 0.00 H new ATOM 235 N ASN A 17 -5.535 2.191 17.475 1.00 0.00 N ATOM 236 CA ASN A 17 -6.982 2.333 17.577 1.00 0.00 C ATOM 237 C ASN A 17 -7.579 1.198 18.404 1.00 0.00 C ATOM 238 O ASN A 17 -8.495 1.414 19.197 1.00 0.00 O ATOM 239 CB ASN A 17 -7.608 2.332 16.182 1.00 0.00 C ATOM 240 CG ASN A 17 -9.126 2.435 16.291 1.00 0.00 C ATOM 241 OD1 ASN A 17 -9.806 1.425 16.472 1.00 0.00 O ATOM 242 ND2 ASN A 17 -9.700 3.603 16.195 1.00 0.00 N ATOM 0 H ASN A 17 -5.184 2.081 16.523 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.198 3.280 18.072 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.220 3.167 15.600 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.334 1.420 15.652 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.714 3.680 16.270 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.134 4.438 16.045 1.00 0.00 H new ATOM 249 N VAL A 18 -7.058 -0.010 18.216 1.00 0.00 N ATOM 250 CA VAL A 18 -7.556 -1.165 18.955 1.00 0.00 C ATOM 251 C VAL A 18 -7.348 -0.960 20.452 1.00 0.00 C ATOM 252 O VAL A 18 -8.262 -1.172 21.249 1.00 0.00 O ATOM 253 CB VAL A 18 -6.829 -2.432 18.494 1.00 0.00 C ATOM 254 CG1 VAL A 18 -7.229 -3.612 19.386 1.00 0.00 C ATOM 255 CG2 VAL A 18 -7.215 -2.739 17.045 1.00 0.00 C ATOM 0 H VAL A 18 -6.299 -0.214 17.566 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.623 -1.276 18.760 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.753 -2.276 18.563 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.710 -4.511 19.055 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.957 -3.396 20.419 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.306 -3.770 19.320 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.699 -3.640 16.714 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.292 -2.893 16.980 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.929 -1.903 16.407 1.00 0.00 H new ATOM 265 N ILE A 19 -6.147 -0.534 20.828 1.00 0.00 N ATOM 266 CA ILE A 19 -5.846 -0.286 22.233 1.00 0.00 C ATOM 267 C ILE A 19 -6.690 0.875 22.743 1.00 0.00 C ATOM 268 O ILE A 19 -7.245 0.817 23.840 1.00 0.00 O ATOM 269 CB ILE A 19 -4.361 0.041 22.414 1.00 0.00 C ATOM 270 CG1 ILE A 19 -3.498 -1.080 21.811 1.00 0.00 C ATOM 271 CG2 ILE A 19 -4.044 0.201 23.903 1.00 0.00 C ATOM 272 CD1 ILE A 19 -3.861 -2.441 22.426 1.00 0.00 C ATOM 0 H ILE A 19 -5.374 -0.355 20.187 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.080 -1.185 22.803 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.136 0.975 21.899 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.642 -1.114 20.731 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.443 -0.867 21.986 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.986 0.434 24.027 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.645 1.010 24.318 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.275 -0.727 24.426 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.237 -3.218 21.984 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.693 -2.410 23.503 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.910 -2.661 22.228 1.00 0.00 H new ATOM 284 N ALA A 20 -6.782 1.924 21.936 1.00 0.00 N ATOM 285 CA ALA A 20 -7.564 3.098 22.308 1.00 0.00 C ATOM 286 C ALA A 20 -9.056 2.801 22.188 1.00 0.00 C ATOM 287 O ALA A 20 -9.886 3.555 22.696 1.00 0.00 O ATOM 288 CB ALA A 20 -7.201 4.277 21.406 1.00 0.00 C ATOM 0 H ALA A 20 -6.328 1.987 21.025 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.335 3.353 23.343 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.790 5.148 21.692 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.141 4.505 21.514 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.413 4.020 20.368 1.00 0.00 H new HETATM 294 N NH2 A 21 -9.446 1.737 21.541 1.00 0.00 N TER 297 NH2 A 21