USER MOD reduce.3.24.130724 H: found=0, std=0, add=162, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 162 hydrogens (0 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 1 LEU N :NH3+ -170:sc= 0 (180deg=-0.0983) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0303) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 27.327 19.396 4.380 1.00 0.00 N ATOM 2 CA LEU A 1 26.939 20.057 5.649 1.00 0.00 C ATOM 3 C LEU A 1 27.898 19.641 6.774 1.00 0.00 C ATOM 4 O LEU A 1 27.533 18.862 7.659 1.00 0.00 O ATOM 5 CB LEU A 1 25.467 19.761 6.019 1.00 0.00 C ATOM 6 CG LEU A 1 24.416 20.360 5.065 1.00 0.00 C ATOM 7 CD1 LEU A 1 23.016 19.878 5.449 1.00 0.00 C ATOM 8 CD2 LEU A 1 24.397 21.889 5.098 1.00 0.00 C ATOM 0 H1 LEU A 1 26.785 19.808 3.594 1.00 0.00 H new ATOM 0 H2 LEU A 1 28.343 19.537 4.212 1.00 0.00 H new ATOM 0 H3 LEU A 1 27.125 18.378 4.443 1.00 0.00 H new ATOM 0 HA LEU A 1 27.017 21.135 5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 1 25.328 18.680 6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 1 25.279 20.139 7.024 1.00 0.00 H new ATOM 0 HG LEU A 1 24.692 20.028 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 1 22.283 20.309 4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 1 22.975 18.791 5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 1 22.790 20.191 6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 1 23.639 22.258 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 1 24.165 22.228 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 1 25.374 22.271 4.802 1.00 0.00 H new ATOM 22 N GLU A 2 29.144 20.126 6.749 1.00 0.00 N ATOM 23 CA GLU A 2 30.151 19.865 7.793 1.00 0.00 C ATOM 24 C GLU A 2 30.078 20.915 8.914 1.00 0.00 C ATOM 25 O GLU A 2 30.136 22.114 8.634 1.00 0.00 O ATOM 26 CB GLU A 2 31.579 19.898 7.212 1.00 0.00 C ATOM 27 CG GLU A 2 31.947 18.697 6.322 1.00 0.00 C ATOM 28 CD GLU A 2 31.376 18.745 4.903 1.00 0.00 C ATOM 29 OE1 GLU A 2 31.241 19.844 4.308 1.00 0.00 O ATOM 30 OE2 GLU A 2 31.072 17.660 4.338 1.00 0.00 O ATOM 0 H GLU A 2 29.490 20.719 5.995 1.00 0.00 H new ATOM 0 HA GLU A 2 29.932 18.875 8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 2 31.697 20.812 6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 2 32.290 19.951 8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 2 33.033 18.630 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.599 17.785 6.807 1.00 0.00 H new ATOM 37 N ALA A 3 29.993 20.478 10.173 1.00 0.00 N ATOM 38 CA ALA A 3 30.088 21.338 11.353 1.00 0.00 C ATOM 39 C ALA A 3 30.557 20.546 12.589 1.00 0.00 C ATOM 40 O ALA A 3 30.307 19.343 12.690 1.00 0.00 O ATOM 41 CB ALA A 3 28.716 21.970 11.607 1.00 0.00 C ATOM 0 H ALA A 3 29.853 19.494 10.404 1.00 0.00 H new ATOM 0 HA ALA A 3 30.829 22.116 11.171 1.00 0.00 H new ATOM 0 HB1 ALA A 3 28.769 22.615 12.484 1.00 0.00 H new ATOM 0 HB2 ALA A 3 28.421 22.561 10.740 1.00 0.00 H new ATOM 0 HB3 ALA A 3 27.980 21.185 11.778 1.00 0.00 H new ATOM 47 N ILE A 4 31.210 21.212 13.547 1.00 0.00 N ATOM 48 CA ILE A 4 31.717 20.589 14.784 1.00 0.00 C ATOM 49 C ILE A 4 30.532 20.290 15.736 1.00 0.00 C ATOM 50 O ILE A 4 29.688 21.175 15.917 1.00 0.00 O ATOM 51 CB ILE A 4 32.771 21.513 15.455 1.00 0.00 C ATOM 52 CG1 ILE A 4 33.899 21.887 14.461 1.00 0.00 C ATOM 53 CG2 ILE A 4 33.370 20.851 16.710 1.00 0.00 C ATOM 54 CD1 ILE A 4 34.978 22.814 15.028 1.00 0.00 C ATOM 0 H ILE A 4 31.406 22.211 13.489 1.00 0.00 H new ATOM 0 HA ILE A 4 32.210 19.646 14.546 1.00 0.00 H new ATOM 0 HB ILE A 4 32.259 22.427 15.757 1.00 0.00 H new ATOM 0 HG12 ILE A 4 34.375 20.970 14.113 1.00 0.00 H new ATOM 0 HG13 ILE A 4 33.451 22.365 13.590 1.00 0.00 H new ATOM 0 HG21 ILE A 4 34.104 21.520 17.159 1.00 0.00 H new ATOM 0 HG22 ILE A 4 32.576 20.649 17.429 1.00 0.00 H new ATOM 0 HG23 ILE A 4 33.854 19.915 16.432 1.00 0.00 H new ATOM 0 HD11 ILE A 4 35.723 23.019 14.259 1.00 0.00 H new ATOM 0 HD12 ILE A 4 34.521 23.750 15.349 1.00 0.00 H new ATOM 0 HD13 ILE A 4 35.459 22.334 15.880 1.00 0.00 H new ATOM 66 N PRO A 5 30.441 19.098 16.366 1.00 0.00 N ATOM 67 CA PRO A 5 29.360 18.762 17.302 1.00 0.00 C ATOM 68 C PRO A 5 29.435 19.554 18.619 1.00 0.00 C ATOM 69 O PRO A 5 30.426 20.235 18.910 1.00 0.00 O ATOM 70 CB PRO A 5 29.495 17.252 17.540 1.00 0.00 C ATOM 71 CG PRO A 5 30.986 16.990 17.340 1.00 0.00 C ATOM 72 CD PRO A 5 31.358 17.971 16.231 1.00 0.00 C ATOM 0 HA PRO A 5 28.389 19.030 16.886 1.00 0.00 H new ATOM 0 HB2 PRO A 5 29.170 16.973 18.542 1.00 0.00 H new ATOM 0 HB3 PRO A 5 28.889 16.679 16.838 1.00 0.00 H new ATOM 0 HG2 PRO A 5 31.555 17.176 18.251 1.00 0.00 H new ATOM 0 HG3 PRO A 5 31.179 15.958 17.048 1.00 0.00 H new ATOM 0 HD2 PRO A 5 32.394 18.297 16.330 1.00 0.00 H new ATOM 0 HD3 PRO A 5 31.262 17.505 15.250 1.00 0.00 H new ATOM 80 N CYS A 6 28.396 19.450 19.453 1.00 0.00 N ATOM 81 CA CYS A 6 28.395 20.017 20.806 1.00 0.00 C ATOM 82 C CYS A 6 29.407 19.295 21.714 1.00 0.00 C ATOM 83 O CYS A 6 29.357 18.073 21.858 1.00 0.00 O ATOM 84 CB CYS A 6 26.976 19.929 21.389 1.00 0.00 C ATOM 85 SG CYS A 6 25.861 20.980 20.415 1.00 0.00 S ATOM 0 H CYS A 6 27.530 18.969 19.209 1.00 0.00 H new ATOM 0 HA CYS A 6 28.699 21.062 20.752 1.00 0.00 H new ATOM 0 HB2 CYS A 6 26.627 18.896 21.373 1.00 0.00 H new ATOM 0 HB3 CYS A 6 26.978 20.249 22.431 1.00 0.00 H new ATOM 0 HG CYS A 6 24.659 20.907 20.904 1.00 0.00 H new ATOM 91 N SER A 7 30.312 20.045 22.350 1.00 0.00 N ATOM 92 CA SER A 7 31.437 19.537 23.157 1.00 0.00 C ATOM 93 C SER A 7 31.555 20.285 24.504 1.00 0.00 C ATOM 94 O SER A 7 32.629 20.385 25.105 1.00 0.00 O ATOM 95 CB SER A 7 32.718 19.623 22.308 1.00 0.00 C ATOM 96 OG SER A 7 33.682 18.661 22.703 1.00 0.00 O ATOM 0 H SER A 7 30.284 21.064 22.318 1.00 0.00 H new ATOM 0 HA SER A 7 31.265 18.494 23.425 1.00 0.00 H new ATOM 0 HB2 SER A 7 32.467 19.475 21.258 1.00 0.00 H new ATOM 0 HB3 SER A 7 33.145 20.622 22.396 1.00 0.00 H new ATOM 0 HG SER A 7 34.479 18.747 22.140 1.00 0.00 H new ATOM 102 N ILE A 8 30.435 20.845 24.982 1.00 0.00 N ATOM 103 CA ILE A 8 30.314 21.630 26.224 1.00 0.00 C ATOM 104 C ILE A 8 29.836 20.718 27.378 1.00 0.00 C ATOM 105 O ILE A 8 28.889 19.947 27.168 1.00 0.00 O ATOM 106 CB ILE A 8 29.339 22.821 26.012 1.00 0.00 C ATOM 107 CG1 ILE A 8 29.678 23.605 24.719 1.00 0.00 C ATOM 108 CG2 ILE A 8 29.363 23.765 27.229 1.00 0.00 C ATOM 109 CD1 ILE A 8 28.830 24.857 24.452 1.00 0.00 C ATOM 0 H ILE A 8 29.545 20.760 24.491 1.00 0.00 H new ATOM 0 HA ILE A 8 31.290 22.036 26.490 1.00 0.00 H new ATOM 0 HB ILE A 8 28.335 22.411 25.905 1.00 0.00 H new ATOM 0 HG12 ILE A 8 30.726 23.902 24.761 1.00 0.00 H new ATOM 0 HG13 ILE A 8 29.572 22.930 23.870 1.00 0.00 H new ATOM 0 HG21 ILE A 8 28.674 24.593 27.061 1.00 0.00 H new ATOM 0 HG22 ILE A 8 29.061 23.216 28.121 1.00 0.00 H new ATOM 0 HG23 ILE A 8 30.371 24.155 27.367 1.00 0.00 H new ATOM 0 HD11 ILE A 8 29.154 25.325 23.522 1.00 0.00 H new ATOM 0 HD12 ILE A 8 27.780 24.575 24.369 1.00 0.00 H new ATOM 0 HD13 ILE A 8 28.952 25.562 25.275 1.00 0.00 H new ATOM 121 N PRO A 9 30.446 20.763 28.583 1.00 0.00 N ATOM 122 CA PRO A 9 30.005 20.001 29.763 1.00 0.00 C ATOM 123 C PRO A 9 28.660 20.513 30.331 1.00 0.00 C ATOM 124 O PRO A 9 28.241 21.613 29.972 1.00 0.00 O ATOM 125 CB PRO A 9 31.149 20.154 30.777 1.00 0.00 C ATOM 126 CG PRO A 9 31.760 21.507 30.435 1.00 0.00 C ATOM 127 CD PRO A 9 31.618 21.561 28.917 1.00 0.00 C ATOM 0 HA PRO A 9 29.813 18.957 29.515 1.00 0.00 H new ATOM 0 HB2 PRO A 9 30.780 20.129 31.802 1.00 0.00 H new ATOM 0 HB3 PRO A 9 31.879 19.350 30.681 1.00 0.00 H new ATOM 0 HG2 PRO A 9 31.230 22.326 30.921 1.00 0.00 H new ATOM 0 HG3 PRO A 9 32.802 21.572 30.747 1.00 0.00 H new ATOM 0 HD2 PRO A 9 31.498 22.589 28.575 1.00 0.00 H new ATOM 0 HD3 PRO A 9 32.509 21.165 28.430 1.00 0.00 H new ATOM 135 N PRO A 10 27.973 19.766 31.222 1.00 0.00 N ATOM 136 CA PRO A 10 26.645 20.110 31.758 1.00 0.00 C ATOM 137 C PRO A 10 26.679 21.254 32.795 1.00 0.00 C ATOM 138 O PRO A 10 26.397 21.074 33.983 1.00 0.00 O ATOM 139 CB PRO A 10 26.082 18.794 32.308 1.00 0.00 C ATOM 140 CG PRO A 10 27.342 18.078 32.782 1.00 0.00 C ATOM 141 CD PRO A 10 28.358 18.444 31.703 1.00 0.00 C ATOM 0 HA PRO A 10 25.997 20.519 30.982 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.378 18.961 33.123 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.554 18.225 31.542 1.00 0.00 H new ATOM 0 HG2 PRO A 10 27.656 18.420 33.768 1.00 0.00 H new ATOM 0 HG3 PRO A 10 27.194 17.000 32.851 1.00 0.00 H new ATOM 0 HD2 PRO A 10 29.370 18.455 32.107 1.00 0.00 H new ATOM 0 HD3 PRO A 10 28.347 17.715 30.893 1.00 0.00 H new ATOM 149 N GLU A 11 27.054 22.451 32.343 1.00 0.00 N ATOM 150 CA GLU A 11 27.176 23.681 33.140 1.00 0.00 C ATOM 151 C GLU A 11 26.566 24.915 32.442 1.00 0.00 C ATOM 152 O GLU A 11 26.859 26.057 32.810 1.00 0.00 O ATOM 153 CB GLU A 11 28.650 23.896 33.540 1.00 0.00 C ATOM 154 CG GLU A 11 29.035 22.972 34.701 1.00 0.00 C ATOM 155 CD GLU A 11 30.418 23.254 35.288 1.00 0.00 C ATOM 156 OE1 GLU A 11 30.798 24.443 35.470 1.00 0.00 O ATOM 157 OE2 GLU A 11 31.116 22.281 35.648 1.00 0.00 O ATOM 0 H GLU A 11 27.294 22.601 31.363 1.00 0.00 H new ATOM 0 HA GLU A 11 26.586 23.554 34.048 1.00 0.00 H new ATOM 0 HB2 GLU A 11 29.297 23.702 32.684 1.00 0.00 H new ATOM 0 HB3 GLU A 11 28.806 24.935 33.828 1.00 0.00 H new ATOM 0 HG2 GLU A 11 28.290 23.068 35.491 1.00 0.00 H new ATOM 0 HG3 GLU A 11 29.002 21.939 34.356 1.00 0.00 H new ATOM 164 N PHE A 12 25.687 24.698 31.456 1.00 0.00 N ATOM 165 CA PHE A 12 25.035 25.758 30.668 1.00 0.00 C ATOM 166 C PHE A 12 23.524 25.883 30.922 1.00 0.00 C ATOM 167 O PHE A 12 22.981 26.967 30.711 1.00 0.00 O ATOM 168 CB PHE A 12 25.334 25.565 29.170 1.00 0.00 C ATOM 169 CG PHE A 12 24.915 24.218 28.612 1.00 0.00 C ATOM 170 CD1 PHE A 12 23.597 23.997 28.171 1.00 0.00 C ATOM 171 CD2 PHE A 12 25.842 23.162 28.584 1.00 0.00 C ATOM 172 CE1 PHE A 12 23.205 22.718 27.735 1.00 0.00 C ATOM 173 CE2 PHE A 12 25.450 21.880 28.160 1.00 0.00 C ATOM 174 CZ PHE A 12 24.128 21.658 27.738 1.00 0.00 C ATOM 0 H PHE A 12 25.401 23.760 31.175 1.00 0.00 H new ATOM 0 HA PHE A 12 25.463 26.702 31.005 1.00 0.00 H new ATOM 0 HB2 PHE A 12 24.828 26.350 28.608 1.00 0.00 H new ATOM 0 HB3 PHE A 12 26.404 25.695 29.007 1.00 0.00 H new ATOM 0 HD1 PHE A 12 22.886 24.810 28.167 1.00 0.00 H new ATOM 0 HD2 PHE A 12 26.863 23.337 28.890 1.00 0.00 H new ATOM 0 HE1 PHE A 12 22.193 22.550 27.397 1.00 0.00 H new ATOM 0 HE2 PHE A 12 26.163 21.068 28.159 1.00 0.00 H new ATOM 0 HZ PHE A 12 23.822 20.674 27.416 1.00 0.00 H new ATOM 184 N LEU A 13 22.848 24.827 31.400 1.00 0.00 N ATOM 185 CA LEU A 13 21.421 24.840 31.754 1.00 0.00 C ATOM 186 C LEU A 13 21.115 23.860 32.901 1.00 0.00 C ATOM 187 O LEU A 13 21.234 22.643 32.741 1.00 0.00 O ATOM 188 CB LEU A 13 20.558 24.499 30.514 1.00 0.00 C ATOM 189 CG LEU A 13 20.043 25.720 29.732 1.00 0.00 C ATOM 190 CD1 LEU A 13 19.388 25.260 28.435 1.00 0.00 C ATOM 191 CD2 LEU A 13 19.000 26.496 30.541 1.00 0.00 C ATOM 0 H LEU A 13 23.289 23.920 31.554 1.00 0.00 H new ATOM 0 HA LEU A 13 21.172 25.844 32.098 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.145 23.875 29.840 1.00 0.00 H new ATOM 0 HB3 LEU A 13 19.703 23.904 30.836 1.00 0.00 H new ATOM 0 HG LEU A 13 20.896 26.367 29.528 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.024 26.127 27.884 1.00 0.00 H new ATOM 0 HD12 LEU A 13 20.118 24.724 27.829 1.00 0.00 H new ATOM 0 HD13 LEU A 13 18.552 24.599 28.664 1.00 0.00 H new ATOM 0 HD21 LEU A 13 18.655 27.353 29.963 1.00 0.00 H new ATOM 0 HD22 LEU A 13 18.155 25.845 30.765 1.00 0.00 H new ATOM 0 HD23 LEU A 13 19.447 26.843 31.473 1.00 0.00 H new ATOM 203 N PHE A 14 20.624 24.381 34.028 1.00 0.00 N ATOM 204 CA PHE A 14 20.284 23.608 35.233 1.00 0.00 C ATOM 205 C PHE A 14 18.760 23.442 35.402 1.00 0.00 C ATOM 206 O PHE A 14 18.227 23.500 36.512 1.00 0.00 O ATOM 207 CB PHE A 14 20.969 24.261 36.442 1.00 0.00 C ATOM 208 CG PHE A 14 22.472 24.403 36.322 1.00 0.00 C ATOM 209 CD1 PHE A 14 23.285 23.256 36.255 1.00 0.00 C ATOM 210 CD2 PHE A 14 23.065 25.680 36.282 1.00 0.00 C ATOM 211 CE1 PHE A 14 24.681 23.387 36.147 1.00 0.00 C ATOM 212 CE2 PHE A 14 24.461 25.810 36.183 1.00 0.00 C ATOM 213 CZ PHE A 14 25.270 24.664 36.122 1.00 0.00 C ATOM 0 H PHE A 14 20.446 25.380 34.134 1.00 0.00 H new ATOM 0 HA PHE A 14 20.660 22.589 35.139 1.00 0.00 H new ATOM 0 HB2 PHE A 14 20.536 25.249 36.597 1.00 0.00 H new ATOM 0 HB3 PHE A 14 20.744 23.672 37.331 1.00 0.00 H new ATOM 0 HD1 PHE A 14 22.836 22.274 36.287 1.00 0.00 H new ATOM 0 HD2 PHE A 14 22.445 26.563 36.328 1.00 0.00 H new ATOM 0 HE1 PHE A 14 25.302 22.506 36.083 1.00 0.00 H new ATOM 0 HE2 PHE A 14 24.911 26.791 36.154 1.00 0.00 H new ATOM 0 HZ PHE A 14 26.343 24.763 36.056 1.00 0.00 H new ATOM 223 N GLY A 15 18.031 23.310 34.286 1.00 0.00 N ATOM 224 CA GLY A 15 16.566 23.198 34.264 1.00 0.00 C ATOM 225 C GLY A 15 15.825 24.539 34.249 1.00 0.00 C ATOM 226 O GLY A 15 14.635 24.600 34.570 1.00 0.00 O ATOM 0 H GLY A 15 18.450 23.277 33.357 1.00 0.00 H new ATOM 0 HA2 GLY A 15 16.272 22.625 33.385 1.00 0.00 H new ATOM 0 HA3 GLY A 15 16.245 22.630 35.137 1.00 0.00 H new ATOM 230 N LYS A 16 16.518 25.643 33.939 1.00 0.00 N ATOM 231 CA LYS A 16 15.970 27.007 33.991 1.00 0.00 C ATOM 232 C LYS A 16 15.276 27.412 32.676 1.00 0.00 C ATOM 233 O LYS A 16 15.568 26.828 31.623 1.00 0.00 O ATOM 234 CB LYS A 16 17.086 27.999 34.383 1.00 0.00 C ATOM 235 CG LYS A 16 17.265 28.127 35.908 1.00 0.00 C ATOM 236 CD LYS A 16 17.962 26.923 36.558 1.00 0.00 C ATOM 237 CE LYS A 16 18.002 27.066 38.081 1.00 0.00 C ATOM 238 NZ LYS A 16 18.925 26.089 38.707 1.00 0.00 N ATOM 0 H LYS A 16 17.493 25.614 33.640 1.00 0.00 H new ATOM 0 HA LYS A 16 15.193 27.033 34.755 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.027 27.675 33.938 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.857 28.979 33.965 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.842 29.027 36.122 1.00 0.00 H new ATOM 0 HG3 LYS A 16 16.286 28.259 36.369 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.437 26.006 36.289 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.977 26.834 36.171 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.313 28.077 38.342 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.999 26.927 38.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.871 26.174 39.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.654 25.125 38.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.898 26.281 38.394 1.00 0.00 H new ATOM 252 N PRO A 17 14.366 28.405 32.724 1.00 0.00 N ATOM 253 CA PRO A 17 13.662 28.915 31.548 1.00 0.00 C ATOM 254 C PRO A 17 14.598 29.668 30.594 1.00 0.00 C ATOM 255 O PRO A 17 15.723 30.036 30.955 1.00 0.00 O ATOM 256 CB PRO A 17 12.565 29.832 32.101 1.00 0.00 C ATOM 257 CG PRO A 17 13.143 30.327 33.422 1.00 0.00 C ATOM 258 CD PRO A 17 13.927 29.120 33.918 1.00 0.00 C ATOM 0 HA PRO A 17 13.249 28.102 30.951 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.353 30.658 31.422 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.629 29.293 32.250 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.785 31.197 33.282 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.360 30.617 34.123 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.780 29.430 34.522 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.305 28.483 34.547 1.00 0.00 H new ATOM 266 N PHE A 18 14.131 29.906 29.367 1.00 0.00 N ATOM 267 CA PHE A 18 14.895 30.635 28.354 1.00 0.00 C ATOM 268 C PHE A 18 15.090 32.118 28.718 1.00 0.00 C ATOM 269 O PHE A 18 14.365 32.670 29.546 1.00 0.00 O ATOM 270 CB PHE A 18 14.229 30.456 26.981 1.00 0.00 C ATOM 271 CG PHE A 18 15.224 30.437 25.837 1.00 0.00 C ATOM 272 CD1 PHE A 18 15.947 29.259 25.570 1.00 0.00 C ATOM 273 CD2 PHE A 18 15.445 31.583 25.053 1.00 0.00 C ATOM 274 CE1 PHE A 18 16.900 29.234 24.538 1.00 0.00 C ATOM 275 CE2 PHE A 18 16.404 31.562 24.025 1.00 0.00 C ATOM 276 CZ PHE A 18 17.134 30.387 23.771 1.00 0.00 C ATOM 0 H PHE A 18 13.212 29.599 29.048 1.00 0.00 H new ATOM 0 HA PHE A 18 15.899 30.213 28.311 1.00 0.00 H new ATOM 0 HB2 PHE A 18 13.662 29.525 26.977 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.516 31.265 26.821 1.00 0.00 H new ATOM 0 HD1 PHE A 18 15.769 28.372 26.160 1.00 0.00 H new ATOM 0 HD2 PHE A 18 14.877 32.482 25.241 1.00 0.00 H new ATOM 0 HE1 PHE A 18 17.452 28.329 24.335 1.00 0.00 H new ATOM 0 HE2 PHE A 18 16.580 32.447 23.431 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.875 30.371 22.986 1.00 0.00 H new ATOM 286 N VAL A 19 16.059 32.775 28.073 1.00 0.00 N ATOM 287 CA VAL A 19 16.500 34.154 28.375 1.00 0.00 C ATOM 288 C VAL A 19 16.445 35.051 27.133 1.00 0.00 C ATOM 289 O VAL A 19 17.385 35.783 26.810 1.00 0.00 O ATOM 290 CB VAL A 19 17.874 34.172 29.083 1.00 0.00 C ATOM 291 CG1 VAL A 19 17.779 33.580 30.494 1.00 0.00 C ATOM 292 CG2 VAL A 19 18.953 33.395 28.323 1.00 0.00 C ATOM 0 H VAL A 19 16.578 32.355 27.302 1.00 0.00 H new ATOM 0 HA VAL A 19 15.792 34.582 29.085 1.00 0.00 H new ATOM 0 HB VAL A 19 18.160 35.223 29.122 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.761 33.606 30.967 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.075 34.164 31.087 1.00 0.00 H new ATOM 0 HG13 VAL A 19 17.433 32.548 30.433 1.00 0.00 H new ATOM 0 HG21 VAL A 19 19.893 33.446 28.872 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.648 32.353 28.222 1.00 0.00 H new ATOM 0 HG23 VAL A 19 19.087 33.832 27.333 1.00 0.00 H new ATOM 302 N PHE A 20 15.344 34.947 26.379 1.00 0.00 N ATOM 303 CA PHE A 20 15.075 35.741 25.175 1.00 0.00 C ATOM 304 C PHE A 20 15.104 37.243 25.459 1.00 0.00 C ATOM 305 O PHE A 20 14.494 37.694 26.456 1.00 0.00 O ATOM 306 CB PHE A 20 13.735 35.296 24.565 1.00 0.00 C ATOM 307 CG PHE A 20 13.561 35.641 23.102 1.00 0.00 C ATOM 308 CD1 PHE A 20 14.162 34.834 22.117 1.00 0.00 C ATOM 309 CD2 PHE A 20 12.802 36.762 22.718 1.00 0.00 C ATOM 310 CE1 PHE A 20 14.020 35.154 20.756 1.00 0.00 C ATOM 311 CE2 PHE A 20 12.659 37.080 21.353 1.00 0.00 C ATOM 312 CZ PHE A 20 13.270 36.276 20.374 1.00 0.00 C ATOM 313 OXT PHE A 20 15.751 37.992 24.689 1.00 0.00 O ATOM 0 H PHE A 20 14.595 34.290 26.596 1.00 0.00 H new ATOM 0 HA PHE A 20 15.869 35.561 24.451 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.638 34.217 24.684 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.924 35.754 25.131 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.734 33.966 22.409 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.330 37.378 23.469 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.488 34.536 20.004 1.00 0.00 H new ATOM 0 HE2 PHE A 20 12.079 37.942 21.058 1.00 0.00 H new ATOM 0 HZ PHE A 20 13.162 36.523 19.328 1.00 0.00 H new TER 323 PHE A 20