USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 141 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 8 GLU CD :(NH2R) USER MOD NoAdj-H: A 1 GLY H2 : A 1 GLY N : A 8 GLU CD :(NH2R) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0576 (180deg=-0.0576) USER MOD Single : A 5 HIS : no HE2:sc= -0.681! C(o=-0.68!,f=-7.6!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 94:sc= 1.36 USER MOD Single : B 18 SER OG : rot 180:sc= 0.0492 USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL B 11 2.948 4.599 0.718 1.00 0.00 N ATOM 2 CA VAL B 11 3.556 3.913 1.881 1.00 0.00 C ATOM 3 C VAL B 11 3.919 4.910 2.977 1.00 0.00 C ATOM 4 O VAL B 11 5.036 4.910 3.492 1.00 0.00 O ATOM 5 CB VAL B 11 4.814 3.120 1.473 1.00 0.00 C ATOM 6 CG1 VAL B 11 4.430 1.868 0.702 1.00 0.00 C ATOM 7 CG2 VAL B 11 5.759 3.984 0.645 1.00 0.00 C ATOM 0 HA VAL B 11 2.811 3.215 2.265 1.00 0.00 H new ATOM 0 HB VAL B 11 5.334 2.822 2.384 1.00 0.00 H new ATOM 0 HG11 VAL B 11 5.331 1.322 0.423 1.00 0.00 H new ATOM 0 HG12 VAL B 11 3.801 1.234 1.327 1.00 0.00 H new ATOM 0 HG13 VAL B 11 3.882 2.148 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL B 11 6.638 3.401 0.370 1.00 0.00 H new ATOM 0 HG22 VAL B 11 5.249 4.319 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL B 11 6.067 4.851 1.230 1.00 0.00 H new ATOM 19 N GLY B 12 2.968 5.767 3.320 1.00 0.00 N ATOM 20 CA GLY B 12 3.193 6.773 4.342 1.00 0.00 C ATOM 21 C GLY B 12 3.989 7.951 3.817 1.00 0.00 C ATOM 22 O GLY B 12 3.494 9.075 3.771 1.00 0.00 O ATOM 0 H GLY B 12 2.036 5.784 2.905 1.00 0.00 H new ATOM 0 HA2 GLY B 12 2.234 7.125 4.721 1.00 0.00 H new ATOM 0 HA3 GLY B 12 3.723 6.324 5.182 1.00 0.00 H new ATOM 26 N ILE B 13 5.216 7.686 3.406 1.00 0.00 N ATOM 27 CA ILE B 13 6.083 8.722 2.866 1.00 0.00 C ATOM 28 C ILE B 13 5.710 9.018 1.417 1.00 0.00 C ATOM 29 O ILE B 13 5.742 8.125 0.564 1.00 0.00 O ATOM 30 CB ILE B 13 7.571 8.310 2.943 1.00 0.00 C ATOM 31 CG1 ILE B 13 7.962 7.976 4.388 1.00 0.00 C ATOM 32 CG2 ILE B 13 8.465 9.413 2.389 1.00 0.00 C ATOM 33 CD1 ILE B 13 7.780 9.128 5.357 1.00 0.00 C ATOM 0 H ILE B 13 5.638 6.758 3.436 1.00 0.00 H new ATOM 0 HA ILE B 13 5.944 9.618 3.470 1.00 0.00 H new ATOM 0 HB ILE B 13 7.711 7.418 2.332 1.00 0.00 H new ATOM 0 HG12 ILE B 13 7.365 7.130 4.729 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.005 7.659 4.408 1.00 0.00 H new ATOM 0 HG21 ILE B 13 9.508 9.102 2.453 1.00 0.00 H new ATOM 0 HG22 ILE B 13 8.206 9.603 1.347 1.00 0.00 H new ATOM 0 HG23 ILE B 13 8.322 10.324 2.970 1.00 0.00 H new ATOM 0 HD11 ILE B 13 8.078 8.813 6.357 1.00 0.00 H new ATOM 0 HD12 ILE B 13 8.398 9.969 5.043 1.00 0.00 H new ATOM 0 HD13 ILE B 13 6.733 9.432 5.369 1.00 0.00 H new ATOM 45 N GLY B 14 5.351 10.269 1.150 1.00 0.00 N ATOM 46 CA GLY B 14 4.966 10.680 -0.190 1.00 0.00 C ATOM 47 C GLY B 14 3.588 10.191 -0.580 1.00 0.00 C ATOM 48 O GLY B 14 2.677 10.982 -0.814 1.00 0.00 O ATOM 0 H GLY B 14 5.319 11.014 1.846 1.00 0.00 H new ATOM 0 HA2 GLY B 14 4.992 11.768 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.697 10.302 -0.905 1.00 0.00 H new ATOM 52 N THR B 15 3.437 8.885 -0.632 1.00 0.00 N ATOM 53 CA THR B 15 2.170 8.271 -0.976 1.00 0.00 C ATOM 54 C THR B 15 1.435 7.828 0.285 1.00 0.00 C ATOM 55 O THR B 15 1.955 7.028 1.061 1.00 0.00 O ATOM 56 CB THR B 15 2.378 7.063 -1.910 1.00 0.00 C ATOM 57 OG1 THR B 15 3.500 6.283 -1.462 1.00 0.00 O ATOM 58 CG2 THR B 15 2.611 7.519 -3.342 1.00 0.00 C ATOM 0 H THR B 15 4.186 8.220 -0.438 1.00 0.00 H new ATOM 0 HA THR B 15 1.568 9.014 -1.499 1.00 0.00 H new ATOM 0 HB THR B 15 1.476 6.452 -1.883 1.00 0.00 H new ATOM 0 HG1 THR B 15 3.185 5.564 -0.875 1.00 0.00 H new ATOM 0 HG21 THR B 15 2.755 6.649 -3.982 1.00 0.00 H new ATOM 0 HG22 THR B 15 1.747 8.085 -3.689 1.00 0.00 H new ATOM 0 HG23 THR B 15 3.499 8.150 -3.383 1.00 0.00 H new ATOM 66 N PRO B 16 0.223 8.349 0.517 1.00 0.00 N ATOM 67 CA PRO B 16 -0.567 8.005 1.703 1.00 0.00 C ATOM 68 C PRO B 16 -0.937 6.522 1.747 1.00 0.00 C ATOM 69 O PRO B 16 -0.741 5.854 2.761 1.00 0.00 O ATOM 70 CB PRO B 16 -1.827 8.872 1.569 1.00 0.00 C ATOM 71 CG PRO B 16 -1.887 9.261 0.130 1.00 0.00 C ATOM 72 CD PRO B 16 -0.463 9.326 -0.344 1.00 0.00 C ATOM 0 HA PRO B 16 -0.011 8.186 2.623 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.718 8.318 1.864 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.770 9.750 2.212 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -2.457 8.533 -0.447 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -2.383 10.224 0.007 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -0.377 9.064 -1.398 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -0.046 10.326 -0.230 1.00 0.00 H new ATOM 80 N ILE B 17 -1.468 6.017 0.639 1.00 0.00 N ATOM 81 CA ILE B 17 -1.870 4.620 0.544 1.00 0.00 C ATOM 82 C ILE B 17 -0.668 3.682 0.607 1.00 0.00 C ATOM 83 O ILE B 17 0.411 3.979 0.085 1.00 0.00 O ATOM 84 CB ILE B 17 -2.689 4.358 -0.739 1.00 0.00 C ATOM 85 CG1 ILE B 17 -3.056 2.876 -0.874 1.00 0.00 C ATOM 86 CG2 ILE B 17 -1.936 4.843 -1.972 1.00 0.00 C ATOM 87 CD1 ILE B 17 -3.990 2.585 -2.029 1.00 0.00 C ATOM 0 H ILE B 17 -1.630 6.558 -0.210 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.505 4.412 1.406 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.617 4.924 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -2.143 2.294 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -3.522 2.540 0.052 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.533 4.648 -2.863 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -1.750 5.914 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -0.986 4.315 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -4.206 1.517 -2.062 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.919 3.139 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -3.519 2.889 -2.964 1.00 0.00 H new ATOM 99 N SER B 18 -0.867 2.558 1.263 1.00 0.00 N ATOM 100 CA SER B 18 0.173 1.556 1.425 1.00 0.00 C ATOM 101 C SER B 18 0.012 0.425 0.407 1.00 0.00 C ATOM 102 O SER B 18 -0.806 0.519 -0.508 1.00 0.00 O ATOM 103 CB SER B 18 0.133 1.019 2.851 1.00 0.00 C ATOM 104 OG SER B 18 -1.202 0.959 3.323 1.00 0.00 O ATOM 0 H SER B 18 -1.754 2.310 1.701 1.00 0.00 H new ATOM 0 HA SER B 18 1.144 2.017 1.243 1.00 0.00 H new ATOM 0 HB2 SER B 18 0.581 0.026 2.884 1.00 0.00 H new ATOM 0 HB3 SER B 18 0.727 1.659 3.503 1.00 0.00 H new ATOM 0 HG SER B 18 -1.210 0.611 4.239 1.00 0.00 H new ATOM 110 N PHE B 19 0.799 -0.636 0.562 1.00 0.00 N ATOM 111 CA PHE B 19 0.752 -1.776 -0.351 1.00 0.00 C ATOM 112 C PHE B 19 0.856 -3.085 0.422 1.00 0.00 C ATOM 113 O PHE B 19 1.035 -3.087 1.644 1.00 0.00 O ATOM 114 CB PHE B 19 1.897 -1.711 -1.377 1.00 0.00 C ATOM 115 CG PHE B 19 1.838 -0.543 -2.328 1.00 0.00 C ATOM 116 CD1 PHE B 19 2.187 0.734 -1.914 1.00 0.00 C ATOM 117 CD2 PHE B 19 1.435 -0.726 -3.640 1.00 0.00 C ATOM 118 CE1 PHE B 19 2.133 1.802 -2.788 1.00 0.00 C ATOM 119 CE2 PHE B 19 1.378 0.338 -4.520 1.00 0.00 C ATOM 120 CZ PHE B 19 1.727 1.604 -4.093 1.00 0.00 C ATOM 0 H PHE B 19 1.480 -0.731 1.315 1.00 0.00 H new ATOM 0 HA PHE B 19 -0.202 -1.735 -0.877 1.00 0.00 H new ATOM 0 HB2 PHE B 19 2.844 -1.674 -0.839 1.00 0.00 H new ATOM 0 HB3 PHE B 19 1.896 -2.633 -1.958 1.00 0.00 H new ATOM 0 HD1 PHE B 19 2.505 0.895 -0.895 1.00 0.00 H new ATOM 0 HD2 PHE B 19 1.161 -1.714 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE B 19 2.408 2.791 -2.451 1.00 0.00 H new ATOM 0 HE2 PHE B 19 1.061 0.180 -5.540 1.00 0.00 H new ATOM 0 HZ PHE B 19 1.683 2.438 -4.778 1.00 0.00 H new ATOM 130 N TYR B 20 0.745 -4.186 -0.306 1.00 0.00 N ATOM 131 CA TYR B 20 0.833 -5.523 0.266 1.00 0.00 C ATOM 132 C TYR B 20 1.115 -6.534 -0.829 1.00 0.00 C ATOM 133 O TYR B 20 0.963 -6.231 -2.014 1.00 0.00 O ATOM 134 CB TYR B 20 -0.450 -5.911 1.014 1.00 0.00 C ATOM 135 CG TYR B 20 -1.698 -5.975 0.150 1.00 0.00 C ATOM 136 CD1 TYR B 20 -2.028 -7.128 -0.553 1.00 0.00 C ATOM 137 CD2 TYR B 20 -2.556 -4.890 0.060 1.00 0.00 C ATOM 138 CE1 TYR B 20 -3.172 -7.191 -1.326 1.00 0.00 C ATOM 139 CE2 TYR B 20 -3.703 -4.945 -0.707 1.00 0.00 C ATOM 140 CZ TYR B 20 -4.006 -6.096 -1.399 1.00 0.00 C ATOM 141 OH TYR B 20 -5.149 -6.152 -2.164 1.00 0.00 O ATOM 0 H TYR B 20 0.591 -4.178 -1.314 1.00 0.00 H new ATOM 0 HA TYR B 20 1.650 -5.521 0.987 1.00 0.00 H new ATOM 0 HB2 TYR B 20 -0.300 -6.883 1.483 1.00 0.00 H new ATOM 0 HB3 TYR B 20 -0.617 -5.192 1.816 1.00 0.00 H new ATOM 0 HD1 TYR B 20 -1.379 -7.989 -0.494 1.00 0.00 H new ATOM 0 HD2 TYR B 20 -2.323 -3.984 0.600 1.00 0.00 H new ATOM 0 HE1 TYR B 20 -3.411 -8.093 -1.870 1.00 0.00 H new ATOM 0 HE2 TYR B 20 -4.359 -4.089 -0.764 1.00 0.00 H new ATOM 0 HH TYR B 20 -5.624 -5.297 -2.105 1.00 0.00 H new ATOM 151 N GLY B 21 1.525 -7.721 -0.420 1.00 0.00 N ATOM 152 CA GLY B 21 1.830 -8.779 -1.366 1.00 0.00 C ATOM 153 C GLY B 21 2.925 -8.387 -2.336 1.00 0.00 C ATOM 154 O GLY B 21 3.880 -7.700 -1.918 1.00 0.00 O ATOM 155 OXT GLY B 21 2.830 -8.744 -3.524 1.00 0.00 O ATOM 0 H GLY B 21 1.654 -7.976 0.559 1.00 0.00 H new ATOM 0 HA2 GLY B 21 2.133 -9.673 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY B 21 0.929 -9.035 -1.923 1.00 0.00 H new TER 159 GLY B 21 ATOM 160 N GLY A 1 -0.852 -2.211 3.630 1.00 0.00 N ATOM 161 CA GLY A 1 -0.337 -2.128 4.983 1.00 0.00 C ATOM 162 C GLY A 1 1.039 -1.499 5.043 1.00 0.00 C ATOM 163 O GLY A 1 1.336 -0.725 5.949 1.00 0.00 O ATOM 0 H3 GLY A 1 -1.795 -2.649 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.026 -1.546 5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.295 -3.128 5.414 1.00 0.00 H new ATOM 167 N GLY A 2 1.879 -1.833 4.077 1.00 0.00 N ATOM 168 CA GLY A 2 3.223 -1.297 4.038 1.00 0.00 C ATOM 169 C GLY A 2 3.870 -1.543 2.704 1.00 0.00 C ATOM 170 O GLY A 2 3.290 -1.238 1.664 1.00 0.00 O ATOM 0 H GLY A 2 1.652 -2.470 3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.196 -0.226 4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.822 -1.754 4.825 1.00 0.00 H new ATOM 174 N ALA A 3 5.057 -2.105 2.736 1.00 0.00 N ATOM 175 CA ALA A 3 5.782 -2.423 1.517 1.00 0.00 C ATOM 176 C ALA A 3 5.167 -3.655 0.862 1.00 0.00 C ATOM 177 O ALA A 3 4.854 -4.631 1.543 1.00 0.00 O ATOM 178 CB ALA A 3 7.256 -2.652 1.818 1.00 0.00 C ATOM 0 H ALA A 3 5.547 -2.354 3.595 1.00 0.00 H new ATOM 0 HA ALA A 3 5.706 -1.582 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.783 -2.889 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.682 -1.750 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.360 -3.481 2.518 1.00 0.00 H new ATOM 184 N GLY A 4 4.984 -3.604 -0.447 1.00 0.00 N ATOM 185 CA GLY A 4 4.399 -4.724 -1.153 1.00 0.00 C ATOM 186 C GLY A 4 4.302 -4.470 -2.640 1.00 0.00 C ATOM 187 O GLY A 4 5.202 -3.870 -3.230 1.00 0.00 O ATOM 0 H GLY A 4 5.230 -2.807 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.999 -5.617 -0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.405 -4.924 -0.754 1.00 0.00 H new ATOM 191 N HIS A 5 3.217 -4.924 -3.253 1.00 0.00 N ATOM 192 CA HIS A 5 3.020 -4.739 -4.686 1.00 0.00 C ATOM 193 C HIS A 5 1.617 -4.227 -4.983 1.00 0.00 C ATOM 194 O HIS A 5 1.438 -3.316 -5.789 1.00 0.00 O ATOM 195 CB HIS A 5 3.260 -6.047 -5.453 1.00 0.00 C ATOM 196 CG HIS A 5 4.653 -6.589 -5.326 1.00 0.00 C ATOM 197 ND1 HIS A 5 5.120 -7.219 -4.192 1.00 0.00 N ATOM 198 CD2 HIS A 5 5.690 -6.576 -6.195 1.00 0.00 C ATOM 199 CE1 HIS A 5 6.377 -7.566 -4.365 1.00 0.00 C ATOM 200 NE2 HIS A 5 6.750 -7.190 -5.574 1.00 0.00 N ATOM 0 H HIS A 5 2.461 -5.422 -2.783 1.00 0.00 H new ATOM 0 HA HIS A 5 3.747 -3.998 -5.018 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.556 -6.799 -5.096 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.042 -5.881 -6.508 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.574 -7.390 -3.348 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.685 -6.160 -7.192 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.998 -8.072 -3.641 1.00 0.00 H new ATOM 209 N VAL A 6 0.625 -4.814 -4.330 1.00 0.00 N ATOM 210 CA VAL A 6 -0.759 -4.412 -4.529 1.00 0.00 C ATOM 211 C VAL A 6 -1.143 -3.338 -3.517 1.00 0.00 C ATOM 212 O VAL A 6 -0.956 -3.520 -2.317 1.00 0.00 O ATOM 213 CB VAL A 6 -1.720 -5.614 -4.394 1.00 0.00 C ATOM 214 CG1 VAL A 6 -3.136 -5.223 -4.793 1.00 0.00 C ATOM 215 CG2 VAL A 6 -1.233 -6.789 -5.229 1.00 0.00 C ATOM 0 H VAL A 6 0.753 -5.570 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.847 -4.014 -5.540 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.734 -5.920 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.794 -6.086 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.487 -4.419 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.142 -4.884 -5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.924 -7.625 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.183 -6.494 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.242 -7.091 -4.889 1.00 0.00 H new ATOM 225 N PRO A 7 -1.668 -2.198 -3.985 1.00 0.00 N ATOM 226 CA PRO A 7 -2.064 -1.090 -3.109 1.00 0.00 C ATOM 227 C PRO A 7 -3.188 -1.471 -2.145 1.00 0.00 C ATOM 228 O PRO A 7 -4.119 -2.193 -2.509 1.00 0.00 O ATOM 229 CB PRO A 7 -2.533 -0.003 -4.083 1.00 0.00 C ATOM 230 CG PRO A 7 -2.832 -0.715 -5.357 1.00 0.00 C ATOM 231 CD PRO A 7 -1.902 -1.892 -5.406 1.00 0.00 C ATOM 0 HA PRO A 7 -1.242 -0.775 -2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.416 0.510 -3.703 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.762 0.754 -4.228 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.872 -1.039 -5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.677 -0.060 -6.215 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.349 -2.736 -5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.974 -1.650 -5.924 1.00 0.00 H new ATOM 239 N GLU A 8 -3.095 -0.970 -0.918 1.00 0.00 N ATOM 240 CA GLU A 8 -4.092 -1.231 0.114 1.00 0.00 C ATOM 241 C GLU A 8 -5.311 -0.341 -0.079 1.00 0.00 C ATOM 242 O GLU A 8 -5.643 0.485 0.769 1.00 0.00 O ATOM 243 CB GLU A 8 -3.499 -1.031 1.512 1.00 0.00 C ATOM 244 CG GLU A 8 -2.607 -2.178 1.954 1.00 0.00 C ATOM 245 CD GLU A 8 -2.148 -2.058 3.393 1.00 0.00 C ATOM 246 OE1 GLU A 8 -2.992 -1.846 4.287 1.00 0.00 O ATOM 0 H GLU A 8 -2.328 -0.372 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.405 -2.271 0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.923 -0.105 1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.310 -0.913 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.145 -3.117 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.734 -2.222 1.303 1.00 0.00 H new ATOM 253 N TYR A 9 -5.960 -0.522 -1.212 1.00 0.00 N ATOM 254 CA TYR A 9 -7.147 0.247 -1.557 1.00 0.00 C ATOM 255 C TYR A 9 -8.376 -0.285 -0.824 1.00 0.00 C ATOM 256 O TYR A 9 -8.446 -1.469 -0.485 1.00 0.00 O ATOM 257 CB TYR A 9 -7.379 0.237 -3.077 1.00 0.00 C ATOM 258 CG TYR A 9 -7.167 -1.112 -3.746 1.00 0.00 C ATOM 259 CD1 TYR A 9 -7.831 -2.253 -3.307 1.00 0.00 C ATOM 260 CD2 TYR A 9 -6.295 -1.239 -4.820 1.00 0.00 C ATOM 261 CE1 TYR A 9 -7.630 -3.477 -3.917 1.00 0.00 C ATOM 262 CE2 TYR A 9 -6.091 -2.460 -5.435 1.00 0.00 C ATOM 263 CZ TYR A 9 -6.760 -3.575 -4.979 1.00 0.00 C ATOM 264 OH TYR A 9 -6.556 -4.792 -5.588 1.00 0.00 O ATOM 0 H TYR A 9 -5.684 -1.203 -1.919 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.983 1.277 -1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.398 0.570 -3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.710 0.964 -3.537 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.516 -2.181 -2.475 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.767 -0.369 -5.181 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.153 -4.352 -3.562 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.410 -2.540 -6.269 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.913 -4.688 -6.321 1.00 0.00 H new ATOM 274 N PHE A 10 -9.330 0.599 -0.583 1.00 0.00 N ATOM 275 CA PHE A 10 -10.559 0.249 0.104 1.00 0.00 C ATOM 276 C PHE A 10 -11.606 1.310 -0.202 1.00 0.00 C ATOM 277 O PHE A 10 -12.809 1.046 -0.003 1.00 0.00 O ATOM 278 CB PHE A 10 -10.318 0.153 1.617 1.00 0.00 C ATOM 279 CG PHE A 10 -11.484 -0.399 2.390 1.00 0.00 C ATOM 280 CD1 PHE A 10 -12.086 -1.588 2.009 1.00 0.00 C ATOM 281 CD2 PHE A 10 -11.974 0.270 3.500 1.00 0.00 C ATOM 282 CE1 PHE A 10 -13.156 -2.098 2.720 1.00 0.00 C ATOM 283 CE2 PHE A 10 -13.043 -0.236 4.215 1.00 0.00 C ATOM 284 CZ PHE A 10 -13.635 -1.421 3.824 1.00 0.00 C ATOM 285 OXT PHE A 10 -11.201 2.402 -0.659 1.00 0.00 O ATOM 0 H PHE A 10 -9.273 1.579 -0.859 1.00 0.00 H new ATOM 0 HA PHE A 10 -10.910 -0.724 -0.241 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.446 -0.476 1.796 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -10.079 1.145 2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -11.715 -2.122 1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.515 1.197 3.810 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -13.617 -3.025 2.412 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.415 0.295 5.079 1.00 0.00 H new ATOM 0 HZ PHE A 10 -14.471 -1.817 4.381 1.00 0.00 H new TER 295 PHE A 10