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= -0.0317 (180deg=-0.0317) USER MOD Single : A 5 HIS : no HE2:sc= -0.518! C(o=-0.52!,f=-7.5!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 101:sc= 0.0134 USER MOD Single : B 18 SER OG : rot -158:sc= 1.38 USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL B 11 2.315 5.015 1.097 1.00 0.00 N ATOM 2 CA VAL B 11 2.447 6.077 2.121 1.00 0.00 C ATOM 3 C VAL B 11 3.604 7.004 1.768 1.00 0.00 C ATOM 4 O VAL B 11 4.087 6.991 0.636 1.00 0.00 O ATOM 5 CB VAL B 11 2.670 5.487 3.534 1.00 0.00 C ATOM 6 CG1 VAL B 11 1.476 4.648 3.961 1.00 0.00 C ATOM 7 CG2 VAL B 11 3.948 4.661 3.589 1.00 0.00 C ATOM 0 HA VAL B 11 1.513 6.639 2.132 1.00 0.00 H new ATOM 0 HB VAL B 11 2.775 6.319 4.230 1.00 0.00 H new ATOM 0 HG11 VAL B 11 1.654 4.243 4.957 1.00 0.00 H new ATOM 0 HG12 VAL B 11 0.581 5.270 3.977 1.00 0.00 H new ATOM 0 HG13 VAL B 11 1.336 3.829 3.256 1.00 0.00 H new ATOM 0 HG21 VAL B 11 4.079 4.259 4.594 1.00 0.00 H new ATOM 0 HG22 VAL B 11 3.881 3.840 2.876 1.00 0.00 H new ATOM 0 HG23 VAL B 11 4.800 5.292 3.337 1.00 0.00 H new ATOM 19 N GLY B 12 4.051 7.794 2.738 1.00 0.00 N ATOM 20 CA GLY B 12 5.153 8.707 2.512 1.00 0.00 C ATOM 21 C GLY B 12 4.765 9.886 1.643 1.00 0.00 C ATOM 22 O GLY B 12 3.638 10.373 1.718 1.00 0.00 O ATOM 0 H GLY B 12 3.666 7.817 3.682 1.00 0.00 H new ATOM 0 HA2 GLY B 12 5.519 9.073 3.471 1.00 0.00 H new ATOM 0 HA3 GLY B 12 5.975 8.168 2.041 1.00 0.00 H new ATOM 26 N ILE B 13 5.701 10.340 0.822 1.00 0.00 N ATOM 27 CA ILE B 13 5.470 11.473 -0.069 1.00 0.00 C ATOM 28 C ILE B 13 4.774 11.049 -1.363 1.00 0.00 C ATOM 29 O ILE B 13 5.239 11.355 -2.461 1.00 0.00 O ATOM 30 CB ILE B 13 6.791 12.200 -0.405 1.00 0.00 C ATOM 31 CG1 ILE B 13 7.861 11.198 -0.861 1.00 0.00 C ATOM 32 CG2 ILE B 13 7.275 12.995 0.800 1.00 0.00 C ATOM 33 CD1 ILE B 13 9.152 11.846 -1.314 1.00 0.00 C ATOM 0 H ILE B 13 6.636 9.938 0.753 1.00 0.00 H new ATOM 0 HA ILE B 13 4.813 12.159 0.465 1.00 0.00 H new ATOM 0 HB ILE B 13 6.607 12.893 -1.226 1.00 0.00 H new ATOM 0 HG12 ILE B 13 8.077 10.513 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE B 13 7.460 10.599 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE B 13 8.207 13.503 0.551 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.522 13.733 1.075 1.00 0.00 H new ATOM 0 HG23 ILE B 13 7.443 12.319 1.638 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.858 11.075 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE B 13 8.951 12.509 -2.155 1.00 0.00 H new ATOM 0 HD13 ILE B 13 9.578 12.422 -0.492 1.00 0.00 H new ATOM 45 N GLY B 14 3.656 10.352 -1.231 1.00 0.00 N ATOM 46 CA GLY B 14 2.923 9.912 -2.389 1.00 0.00 C ATOM 47 C GLY B 14 1.498 9.551 -2.045 1.00 0.00 C ATOM 48 O GLY B 14 0.786 10.328 -1.411 1.00 0.00 O ATOM 0 H GLY B 14 3.245 10.084 -0.336 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.927 10.699 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY B 14 3.421 9.048 -2.828 1.00 0.00 H new ATOM 52 N THR B 15 1.087 8.372 -2.457 1.00 0.00 N ATOM 53 CA THR B 15 -0.258 7.898 -2.195 1.00 0.00 C ATOM 54 C THR B 15 -0.371 7.302 -0.795 1.00 0.00 C ATOM 55 O THR B 15 0.482 6.509 -0.378 1.00 0.00 O ATOM 56 CB THR B 15 -0.683 6.846 -3.237 1.00 0.00 C ATOM 57 OG1 THR B 15 0.343 5.856 -3.381 1.00 0.00 O ATOM 58 CG2 THR B 15 -0.959 7.498 -4.584 1.00 0.00 C ATOM 0 H THR B 15 1.669 7.717 -2.979 1.00 0.00 H new ATOM 0 HA THR B 15 -0.924 8.758 -2.265 1.00 0.00 H new ATOM 0 HB THR B 15 -1.599 6.371 -2.887 1.00 0.00 H new ATOM 0 HG1 THR B 15 0.096 5.053 -2.875 1.00 0.00 H new ATOM 0 HG21 THR B 15 -1.257 6.735 -5.303 1.00 0.00 H new ATOM 0 HG22 THR B 15 -1.760 8.229 -4.477 1.00 0.00 H new ATOM 0 HG23 THR B 15 -0.057 7.998 -4.938 1.00 0.00 H new ATOM 66 N PRO B 16 -1.426 7.671 -0.047 1.00 0.00 N ATOM 67 CA PRO B 16 -1.647 7.160 1.305 1.00 0.00 C ATOM 68 C PRO B 16 -1.782 5.642 1.295 1.00 0.00 C ATOM 69 O PRO B 16 -1.057 4.936 1.997 1.00 0.00 O ATOM 70 CB PRO B 16 -2.959 7.823 1.747 1.00 0.00 C ATOM 71 CG PRO B 16 -3.600 8.313 0.492 1.00 0.00 C ATOM 72 CD PRO B 16 -2.480 8.610 -0.464 1.00 0.00 C ATOM 0 HA PRO B 16 -0.819 7.384 1.977 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -3.603 7.112 2.265 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -2.770 8.645 2.438 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.274 7.562 0.080 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -4.196 9.206 0.682 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -2.780 8.446 -1.499 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -2.150 9.646 -0.388 1.00 0.00 H new ATOM 80 N ILE B 17 -2.684 5.145 0.458 1.00 0.00 N ATOM 81 CA ILE B 17 -2.883 3.714 0.321 1.00 0.00 C ATOM 82 C ILE B 17 -1.737 3.130 -0.488 1.00 0.00 C ATOM 83 O ILE B 17 -1.258 3.749 -1.440 1.00 0.00 O ATOM 84 CB ILE B 17 -4.219 3.372 -0.366 1.00 0.00 C ATOM 85 CG1 ILE B 17 -5.360 4.185 0.250 1.00 0.00 C ATOM 86 CG2 ILE B 17 -4.507 1.879 -0.252 1.00 0.00 C ATOM 87 CD1 ILE B 17 -6.704 3.932 -0.397 1.00 0.00 C ATOM 0 H ILE B 17 -3.288 5.715 -0.135 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.910 3.284 1.322 1.00 0.00 H new ATOM 0 HB ILE B 17 -4.142 3.631 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.428 3.952 1.313 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -5.122 5.246 0.171 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -5.454 1.653 -0.742 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.706 1.316 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -4.567 1.599 0.800 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -7.464 4.542 0.091 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.654 4.193 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -6.964 2.878 -0.295 1.00 0.00 H new ATOM 99 N SER B 18 -1.295 1.953 -0.098 1.00 0.00 N ATOM 100 CA SER B 18 -0.195 1.285 -0.774 1.00 0.00 C ATOM 101 C SER B 18 -0.181 -0.203 -0.441 1.00 0.00 C ATOM 102 O SER B 18 -1.180 -0.740 0.030 1.00 0.00 O ATOM 103 CB SER B 18 1.117 1.965 -0.385 1.00 0.00 C ATOM 104 OG SER B 18 1.034 2.517 0.922 1.00 0.00 O ATOM 0 H SER B 18 -1.682 1.433 0.690 1.00 0.00 H new ATOM 0 HA SER B 18 -0.323 1.367 -1.853 1.00 0.00 H new ATOM 0 HB2 SER B 18 1.932 1.243 -0.428 1.00 0.00 H new ATOM 0 HB3 SER B 18 1.350 2.752 -1.102 1.00 0.00 H new ATOM 0 HG SER B 18 1.712 3.217 1.025 1.00 0.00 H new ATOM 110 N PHE B 19 0.940 -0.866 -0.700 1.00 0.00 N ATOM 111 CA PHE B 19 1.072 -2.299 -0.443 1.00 0.00 C ATOM 112 C PHE B 19 2.429 -2.609 0.174 1.00 0.00 C ATOM 113 O PHE B 19 3.256 -1.714 0.369 1.00 0.00 O ATOM 114 CB PHE B 19 0.934 -3.106 -1.747 1.00 0.00 C ATOM 115 CG PHE B 19 -0.350 -2.894 -2.506 1.00 0.00 C ATOM 116 CD1 PHE B 19 -0.554 -1.744 -3.255 1.00 0.00 C ATOM 117 CD2 PHE B 19 -1.351 -3.850 -2.473 1.00 0.00 C ATOM 118 CE1 PHE B 19 -1.731 -1.554 -3.954 1.00 0.00 C ATOM 119 CE2 PHE B 19 -2.530 -3.665 -3.170 1.00 0.00 C ATOM 120 CZ PHE B 19 -2.720 -2.516 -3.911 1.00 0.00 C ATOM 0 H PHE B 19 1.777 -0.433 -1.090 1.00 0.00 H new ATOM 0 HA PHE B 19 0.277 -2.581 0.247 1.00 0.00 H new ATOM 0 HB2 PHE B 19 1.769 -2.853 -2.401 1.00 0.00 H new ATOM 0 HB3 PHE B 19 1.025 -4.166 -1.510 1.00 0.00 H new ATOM 0 HD1 PHE B 19 0.216 -0.988 -3.292 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -1.209 -4.751 -1.895 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -1.877 -0.654 -4.533 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -3.302 -4.419 -3.135 1.00 0.00 H new ATOM 0 HZ PHE B 19 -3.641 -2.370 -4.456 1.00 0.00 H new ATOM 130 N TYR B 20 2.646 -3.882 0.457 1.00 0.00 N ATOM 131 CA TYR B 20 3.902 -4.363 1.023 1.00 0.00 C ATOM 132 C TYR B 20 4.009 -5.867 0.843 1.00 0.00 C ATOM 133 O TYR B 20 3.011 -6.535 0.565 1.00 0.00 O ATOM 134 CB TYR B 20 4.068 -3.986 2.506 1.00 0.00 C ATOM 135 CG TYR B 20 2.945 -4.428 3.429 1.00 0.00 C ATOM 136 CD1 TYR B 20 2.635 -5.772 3.608 1.00 0.00 C ATOM 137 CD2 TYR B 20 2.209 -3.492 4.137 1.00 0.00 C ATOM 138 CE1 TYR B 20 1.621 -6.163 4.460 1.00 0.00 C ATOM 139 CE2 TYR B 20 1.193 -3.875 4.992 1.00 0.00 C ATOM 140 CZ TYR B 20 0.903 -5.211 5.149 1.00 0.00 C ATOM 141 OH TYR B 20 -0.109 -5.596 5.997 1.00 0.00 O ATOM 0 H TYR B 20 1.956 -4.617 0.301 1.00 0.00 H new ATOM 0 HA TYR B 20 4.710 -3.871 0.482 1.00 0.00 H new ATOM 0 HB2 TYR B 20 5.002 -4.416 2.869 1.00 0.00 H new ATOM 0 HB3 TYR B 20 4.167 -2.903 2.577 1.00 0.00 H new ATOM 0 HD1 TYR B 20 3.197 -6.522 3.072 1.00 0.00 H new ATOM 0 HD2 TYR B 20 2.434 -2.442 4.018 1.00 0.00 H new ATOM 0 HE1 TYR B 20 1.392 -7.211 4.585 1.00 0.00 H new ATOM 0 HE2 TYR B 20 0.630 -3.130 5.534 1.00 0.00 H new ATOM 0 HH TYR B 20 -0.514 -4.802 6.405 1.00 0.00 H new ATOM 151 N GLY B 21 5.218 -6.382 0.988 1.00 0.00 N ATOM 152 CA GLY B 21 5.448 -7.806 0.831 1.00 0.00 C ATOM 153 C GLY B 21 5.112 -8.289 -0.565 1.00 0.00 C ATOM 154 O GLY B 21 4.567 -9.397 -0.704 1.00 0.00 O ATOM 155 OXT GLY B 21 5.374 -7.545 -1.534 1.00 0.00 O ATOM 0 H GLY B 21 6.051 -5.838 1.213 1.00 0.00 H new ATOM 0 HA2 GLY B 21 6.492 -8.030 1.050 1.00 0.00 H new ATOM 0 HA3 GLY B 21 4.846 -8.352 1.557 1.00 0.00 H new TER 159 GLY B 21 ATOM 160 N GLY A 1 2.732 0.322 2.360 1.00 0.00 N ATOM 161 CA GLY A 1 3.797 1.307 2.373 1.00 0.00 C ATOM 162 C GLY A 1 4.162 1.794 0.985 1.00 0.00 C ATOM 163 O GLY A 1 4.349 2.993 0.766 1.00 0.00 O ATOM 0 H3 GLY A 1 2.523 0.024 3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.492 2.157 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.679 0.876 2.846 1.00 0.00 H new ATOM 167 N GLY A 2 4.253 0.864 0.047 1.00 0.00 N ATOM 168 CA GLY A 2 4.595 1.199 -1.319 1.00 0.00 C ATOM 169 C GLY A 2 4.293 0.054 -2.244 1.00 0.00 C ATOM 170 O GLY A 2 3.189 -0.488 -2.228 1.00 0.00 O ATOM 0 H GLY A 2 4.094 -0.130 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.037 2.081 -1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.653 1.453 -1.381 1.00 0.00 H new ATOM 174 N ALA A 3 5.273 -0.327 -3.030 1.00 0.00 N ATOM 175 CA ALA A 3 5.119 -1.442 -3.949 1.00 0.00 C ATOM 176 C ALA A 3 5.185 -2.755 -3.175 1.00 0.00 C ATOM 177 O ALA A 3 6.067 -2.939 -2.337 1.00 0.00 O ATOM 178 CB ALA A 3 6.193 -1.399 -5.026 1.00 0.00 C ATOM 0 H ALA A 3 6.191 0.118 -3.055 1.00 0.00 H new ATOM 0 HA ALA A 3 4.148 -1.368 -4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.062 -2.242 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.111 -0.467 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.177 -1.458 -4.561 1.00 0.00 H new ATOM 184 N GLY A 4 4.251 -3.654 -3.444 1.00 0.00 N ATOM 185 CA GLY A 4 4.232 -4.926 -2.752 1.00 0.00 C ATOM 186 C GLY A 4 3.100 -5.813 -3.219 1.00 0.00 C ATOM 187 O GLY A 4 2.769 -5.828 -4.405 1.00 0.00 O ATOM 0 H GLY A 4 3.506 -3.526 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.181 -5.438 -2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.137 -4.753 -1.680 1.00 0.00 H new ATOM 191 N HIS A 5 2.504 -6.557 -2.295 1.00 0.00 N ATOM 192 CA HIS A 5 1.404 -7.453 -2.634 1.00 0.00 C ATOM 193 C HIS A 5 0.238 -7.280 -1.667 1.00 0.00 C ATOM 194 O HIS A 5 -0.915 -7.195 -2.086 1.00 0.00 O ATOM 195 CB HIS A 5 1.861 -8.918 -2.629 1.00 0.00 C ATOM 196 CG HIS A 5 2.921 -9.235 -3.641 1.00 0.00 C ATOM 197 ND1 HIS A 5 4.241 -8.869 -3.494 1.00 0.00 N ATOM 198 CD2 HIS A 5 2.845 -9.874 -4.832 1.00 0.00 C ATOM 199 CE1 HIS A 5 4.930 -9.263 -4.544 1.00 0.00 C ATOM 200 NE2 HIS A 5 4.107 -9.878 -5.374 1.00 0.00 N ATOM 0 H HIS A 5 2.762 -6.558 -1.308 1.00 0.00 H new ATOM 0 HA HIS A 5 1.072 -7.191 -3.639 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.236 -9.166 -1.636 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.997 -9.557 -2.812 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.626 -8.369 -2.693 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.957 -10.301 -5.274 1.00 0.00 H new ATOM 0 HE1 HIS A 5 5.988 -9.110 -4.700 1.00 0.00 H new ATOM 209 N VAL A 6 0.539 -7.226 -0.377 1.00 0.00 N ATOM 210 CA VAL A 6 -0.494 -7.061 0.635 1.00 0.00 C ATOM 211 C VAL A 6 -0.801 -5.580 0.830 1.00 0.00 C ATOM 212 O VAL A 6 0.103 -4.781 1.074 1.00 0.00 O ATOM 213 CB VAL A 6 -0.076 -7.687 1.983 1.00 0.00 C ATOM 214 CG1 VAL A 6 -1.230 -7.659 2.976 1.00 0.00 C ATOM 215 CG2 VAL A 6 0.425 -9.110 1.782 1.00 0.00 C ATOM 0 H VAL A 6 1.487 -7.294 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.387 -7.579 0.285 1.00 0.00 H new ATOM 0 HB VAL A 6 0.739 -7.091 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.911 -8.105 3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.536 -6.627 3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.070 -8.224 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.715 -9.533 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.367 -9.716 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.287 -9.101 1.115 1.00 0.00 H new ATOM 225 N PRO A 7 -2.076 -5.191 0.699 1.00 0.00 N ATOM 226 CA PRO A 7 -2.503 -3.796 0.838 1.00 0.00 C ATOM 227 C PRO A 7 -2.341 -3.252 2.255 1.00 0.00 C ATOM 228 O PRO A 7 -2.623 -3.938 3.238 1.00 0.00 O ATOM 229 CB PRO A 7 -3.990 -3.822 0.453 1.00 0.00 C ATOM 230 CG PRO A 7 -4.204 -5.135 -0.222 1.00 0.00 C ATOM 231 CD PRO A 7 -3.205 -6.076 0.381 1.00 0.00 C ATOM 0 HA PRO A 7 -1.893 -3.141 0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.625 -3.725 1.334 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.238 -2.994 -0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.222 -5.493 -0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.059 -5.049 -1.299 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.598 -6.567 1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.918 -6.863 -0.316 1.00 0.00 H new ATOM 239 N GLU A 8 -1.907 -2.001 2.342 1.00 0.00 N ATOM 240 CA GLU A 8 -1.725 -1.323 3.619 1.00 0.00 C ATOM 241 C GLU A 8 -3.049 -0.742 4.096 1.00 0.00 C ATOM 242 O GLU A 8 -3.166 0.456 4.349 1.00 0.00 O ATOM 243 CB GLU A 8 -0.671 -0.216 3.499 1.00 0.00 C ATOM 244 CG GLU A 8 0.727 -0.744 3.233 1.00 0.00 C ATOM 245 CD GLU A 8 1.796 0.332 3.302 1.00 0.00 C ATOM 246 OE1 GLU A 8 1.773 1.155 4.239 1.00 0.00 O ATOM 0 H GLU A 8 -1.672 -1.429 1.531 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.375 -2.051 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.955 0.461 2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.662 0.369 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.958 -1.524 3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.751 -1.209 2.247 1.00 0.00 H new ATOM 253 N TYR A 9 -4.042 -1.607 4.200 1.00 0.00 N ATOM 254 CA TYR A 9 -5.373 -1.214 4.633 1.00 0.00 C ATOM 255 C TYR A 9 -6.148 -2.435 5.102 1.00 0.00 C ATOM 256 O TYR A 9 -5.838 -3.564 4.717 1.00 0.00 O ATOM 257 CB TYR A 9 -6.127 -0.510 3.497 1.00 0.00 C ATOM 258 CG TYR A 9 -7.511 -0.026 3.876 1.00 0.00 C ATOM 259 CD1 TYR A 9 -7.690 0.889 4.907 1.00 0.00 C ATOM 260 CD2 TYR A 9 -8.638 -0.493 3.210 1.00 0.00 C ATOM 261 CE1 TYR A 9 -8.952 1.324 5.263 1.00 0.00 C ATOM 262 CE2 TYR A 9 -9.903 -0.060 3.560 1.00 0.00 C ATOM 263 CZ TYR A 9 -10.054 0.847 4.587 1.00 0.00 C ATOM 264 OH TYR A 9 -11.312 1.275 4.942 1.00 0.00 O ATOM 0 H TYR A 9 -3.950 -2.600 3.987 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.276 -0.515 5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.537 0.341 3.158 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.212 -1.195 2.654 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.829 1.266 5.438 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.523 -1.205 2.406 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.074 2.034 6.067 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.769 -0.430 3.031 1.00 0.00 H new ATOM 0 HH TYR A 9 -11.978 0.844 4.367 1.00 0.00 H new ATOM 274 N PHE A 10 -7.152 -2.190 5.920 1.00 0.00 N ATOM 275 CA PHE A 10 -8.001 -3.238 6.456 1.00 0.00 C ATOM 276 C PHE A 10 -9.303 -2.610 6.932 1.00 0.00 C ATOM 277 O PHE A 10 -9.309 -1.374 7.126 1.00 0.00 O ATOM 278 CB PHE A 10 -7.297 -3.958 7.614 1.00 0.00 C ATOM 279 CG PHE A 10 -8.019 -5.184 8.102 1.00 0.00 C ATOM 280 CD1 PHE A 10 -8.427 -6.166 7.212 1.00 0.00 C ATOM 281 CD2 PHE A 10 -8.286 -5.355 9.451 1.00 0.00 C ATOM 282 CE1 PHE A 10 -9.088 -7.294 7.659 1.00 0.00 C ATOM 283 CE2 PHE A 10 -8.947 -6.482 9.903 1.00 0.00 C ATOM 284 CZ PHE A 10 -9.348 -7.452 9.006 1.00 0.00 C ATOM 285 OXT PHE A 10 -10.301 -3.339 7.088 1.00 0.00 O ATOM 0 H PHE A 10 -7.404 -1.253 6.234 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.210 -3.976 5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.294 -4.242 7.295 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.182 -3.262 8.445 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.226 -6.048 6.158 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.974 -4.600 10.157 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.401 -8.051 6.956 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.150 -6.604 10.957 1.00 0.00 H new ATOM 0 HZ PHE A 10 -9.864 -8.333 9.357 1.00 0.00 H new TER 295 PHE A 10