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= -0.0952 (180deg=-0.0952) USER MOD Single : A 5 HIS : no HE2:sc= -0.626! C(o=-0.63!,f=-7.5!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= -0.276 USER MOD Single : B 18 SER OG : rot -139:sc= 0.0487 USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL B 11 2.281 4.464 2.050 1.00 0.00 N ATOM 2 CA VAL B 11 1.216 4.391 3.073 1.00 0.00 C ATOM 3 C VAL B 11 1.273 5.622 3.974 1.00 0.00 C ATOM 4 O VAL B 11 2.356 6.093 4.320 1.00 0.00 O ATOM 5 CB VAL B 11 1.334 3.102 3.925 1.00 0.00 C ATOM 6 CG1 VAL B 11 2.647 3.063 4.695 1.00 0.00 C ATOM 7 CG2 VAL B 11 0.149 2.964 4.870 1.00 0.00 C ATOM 0 HA VAL B 11 0.256 4.363 2.557 1.00 0.00 H new ATOM 0 HB VAL B 11 1.325 2.253 3.241 1.00 0.00 H new ATOM 0 HG11 VAL B 11 2.697 2.146 5.282 1.00 0.00 H new ATOM 0 HG12 VAL B 11 3.481 3.091 3.994 1.00 0.00 H new ATOM 0 HG13 VAL B 11 2.704 3.924 5.361 1.00 0.00 H new ATOM 0 HG21 VAL B 11 0.256 2.052 5.457 1.00 0.00 H new ATOM 0 HG22 VAL B 11 0.115 3.824 5.539 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.774 2.918 4.292 1.00 0.00 H new ATOM 19 N GLY B 12 0.108 6.144 4.337 1.00 0.00 N ATOM 20 CA GLY B 12 0.054 7.317 5.186 1.00 0.00 C ATOM 21 C GLY B 12 0.486 8.579 4.467 1.00 0.00 C ATOM 22 O GLY B 12 -0.117 8.969 3.467 1.00 0.00 O ATOM 0 H GLY B 12 -0.801 5.775 4.058 1.00 0.00 H new ATOM 0 HA2 GLY B 12 -0.963 7.445 5.557 1.00 0.00 H new ATOM 0 HA3 GLY B 12 0.694 7.162 6.055 1.00 0.00 H new ATOM 26 N ILE B 13 1.529 9.215 4.988 1.00 0.00 N ATOM 27 CA ILE B 13 2.060 10.447 4.416 1.00 0.00 C ATOM 28 C ILE B 13 2.562 10.228 2.984 1.00 0.00 C ATOM 29 O ILE B 13 3.089 9.165 2.650 1.00 0.00 O ATOM 30 CB ILE B 13 3.200 11.020 5.300 1.00 0.00 C ATOM 31 CG1 ILE B 13 3.668 12.384 4.781 1.00 0.00 C ATOM 32 CG2 ILE B 13 4.370 10.049 5.378 1.00 0.00 C ATOM 33 CD1 ILE B 13 2.611 13.465 4.872 1.00 0.00 C ATOM 0 H ILE B 13 2.029 8.892 5.816 1.00 0.00 H new ATOM 0 HA ILE B 13 1.245 11.170 4.384 1.00 0.00 H new ATOM 0 HB ILE B 13 2.802 11.157 6.305 1.00 0.00 H new ATOM 0 HG12 ILE B 13 4.545 12.697 5.348 1.00 0.00 H new ATOM 0 HG13 ILE B 13 3.980 12.280 3.742 1.00 0.00 H new ATOM 0 HG21 ILE B 13 5.155 10.475 6.003 1.00 0.00 H new ATOM 0 HG22 ILE B 13 4.033 9.107 5.810 1.00 0.00 H new ATOM 0 HG23 ILE B 13 4.761 9.869 4.377 1.00 0.00 H new ATOM 0 HD11 ILE B 13 3.014 14.402 4.487 1.00 0.00 H new ATOM 0 HD12 ILE B 13 1.742 13.174 4.282 1.00 0.00 H new ATOM 0 HD13 ILE B 13 2.315 13.598 5.913 1.00 0.00 H new ATOM 45 N GLY B 14 2.375 11.238 2.141 1.00 0.00 N ATOM 46 CA GLY B 14 2.797 11.153 0.755 1.00 0.00 C ATOM 47 C GLY B 14 1.776 10.460 -0.116 1.00 0.00 C ATOM 48 O GLY B 14 1.282 11.030 -1.088 1.00 0.00 O ATOM 0 H GLY B 14 1.934 12.122 2.396 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.977 12.157 0.371 1.00 0.00 H new ATOM 0 HA3 GLY B 14 3.744 10.616 0.698 1.00 0.00 H new ATOM 52 N THR B 15 1.452 9.237 0.244 1.00 0.00 N ATOM 53 CA THR B 15 0.475 8.444 -0.486 1.00 0.00 C ATOM 54 C THR B 15 -0.095 7.360 0.426 1.00 0.00 C ATOM 55 O THR B 15 0.625 6.452 0.853 1.00 0.00 O ATOM 56 CB THR B 15 1.097 7.785 -1.739 1.00 0.00 C ATOM 57 OG1 THR B 15 1.783 8.765 -2.528 1.00 0.00 O ATOM 58 CG2 THR B 15 0.027 7.117 -2.590 1.00 0.00 C ATOM 0 H THR B 15 1.856 8.760 1.050 1.00 0.00 H new ATOM 0 HA THR B 15 -0.320 9.114 -0.814 1.00 0.00 H new ATOM 0 HB THR B 15 1.804 7.028 -1.401 1.00 0.00 H new ATOM 0 HG1 THR B 15 2.173 8.335 -3.317 1.00 0.00 H new ATOM 0 HG21 THR B 15 0.490 6.661 -3.465 1.00 0.00 H new ATOM 0 HG22 THR B 15 -0.477 6.348 -2.004 1.00 0.00 H new ATOM 0 HG23 THR B 15 -0.700 7.863 -2.911 1.00 0.00 H new ATOM 66 N PRO B 16 -1.395 7.455 0.754 1.00 0.00 N ATOM 67 CA PRO B 16 -2.066 6.494 1.635 1.00 0.00 C ATOM 68 C PRO B 16 -2.093 5.089 1.045 1.00 0.00 C ATOM 69 O PRO B 16 -1.624 4.135 1.668 1.00 0.00 O ATOM 70 CB PRO B 16 -3.492 7.047 1.765 1.00 0.00 C ATOM 71 CG PRO B 16 -3.400 8.471 1.336 1.00 0.00 C ATOM 72 CD PRO B 16 -2.306 8.520 0.310 1.00 0.00 C ATOM 0 HA PRO B 16 -1.549 6.395 2.590 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -4.189 6.491 1.137 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -3.853 6.967 2.790 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.345 8.815 0.916 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -3.172 9.120 2.182 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -2.685 8.335 -0.695 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -1.813 9.492 0.291 1.00 0.00 H new ATOM 80 N ILE B 17 -2.631 4.970 -0.162 1.00 0.00 N ATOM 81 CA ILE B 17 -2.707 3.684 -0.835 1.00 0.00 C ATOM 82 C ILE B 17 -1.332 3.235 -1.300 1.00 0.00 C ATOM 83 O ILE B 17 -0.540 4.025 -1.810 1.00 0.00 O ATOM 84 CB ILE B 17 -3.691 3.709 -2.027 1.00 0.00 C ATOM 85 CG1 ILE B 17 -3.590 2.418 -2.852 1.00 0.00 C ATOM 86 CG2 ILE B 17 -3.455 4.935 -2.902 1.00 0.00 C ATOM 87 CD1 ILE B 17 -4.593 2.335 -3.984 1.00 0.00 C ATOM 0 H ILE B 17 -3.020 5.749 -0.693 1.00 0.00 H new ATOM 0 HA ILE B 17 -3.087 2.967 -0.107 1.00 0.00 H new ATOM 0 HB ILE B 17 -4.702 3.771 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -2.584 2.339 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -3.731 1.563 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -4.160 4.930 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.600 5.838 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -2.436 4.915 -3.289 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -4.459 1.395 -4.520 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -5.604 2.381 -3.579 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.439 3.169 -4.669 1.00 0.00 H new ATOM 99 N SER B 18 -1.063 1.961 -1.109 1.00 0.00 N ATOM 100 CA SER B 18 0.208 1.376 -1.499 1.00 0.00 C ATOM 101 C SER B 18 0.089 -0.142 -1.584 1.00 0.00 C ATOM 102 O SER B 18 -1.020 -0.677 -1.575 1.00 0.00 O ATOM 103 CB SER B 18 1.300 1.800 -0.517 1.00 0.00 C ATOM 104 OG SER B 18 0.779 1.956 0.793 1.00 0.00 O ATOM 0 H SER B 18 -1.714 1.302 -0.681 1.00 0.00 H new ATOM 0 HA SER B 18 0.484 1.741 -2.488 1.00 0.00 H new ATOM 0 HB2 SER B 18 2.095 1.054 -0.509 1.00 0.00 H new ATOM 0 HB3 SER B 18 1.746 2.738 -0.848 1.00 0.00 H new ATOM 0 HG SER B 18 1.177 2.748 1.211 1.00 0.00 H new ATOM 110 N PHE B 19 1.219 -0.830 -1.680 1.00 0.00 N ATOM 111 CA PHE B 19 1.231 -2.285 -1.785 1.00 0.00 C ATOM 112 C PHE B 19 2.336 -2.874 -0.920 1.00 0.00 C ATOM 113 O PHE B 19 3.105 -2.145 -0.288 1.00 0.00 O ATOM 114 CB PHE B 19 1.454 -2.729 -3.242 1.00 0.00 C ATOM 115 CG PHE B 19 0.426 -2.233 -4.225 1.00 0.00 C ATOM 116 CD1 PHE B 19 0.462 -0.928 -4.695 1.00 0.00 C ATOM 117 CD2 PHE B 19 -0.564 -3.080 -4.694 1.00 0.00 C ATOM 118 CE1 PHE B 19 -0.474 -0.478 -5.607 1.00 0.00 C ATOM 119 CE2 PHE B 19 -1.501 -2.636 -5.607 1.00 0.00 C ATOM 120 CZ PHE B 19 -1.457 -1.334 -6.063 1.00 0.00 C ATOM 0 H PHE B 19 2.145 -0.402 -1.687 1.00 0.00 H new ATOM 0 HA PHE B 19 0.262 -2.647 -1.441 1.00 0.00 H new ATOM 0 HB2 PHE B 19 2.437 -2.386 -3.564 1.00 0.00 H new ATOM 0 HB3 PHE B 19 1.470 -3.818 -3.275 1.00 0.00 H new ATOM 0 HD1 PHE B 19 1.231 -0.256 -4.344 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -0.604 -4.100 -4.342 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -0.437 0.541 -5.962 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -2.268 -3.308 -5.964 1.00 0.00 H new ATOM 0 HZ PHE B 19 -2.190 -0.985 -6.775 1.00 0.00 H new ATOM 130 N TYR B 20 2.403 -4.194 -0.911 1.00 0.00 N ATOM 131 CA TYR B 20 3.408 -4.927 -0.155 1.00 0.00 C ATOM 132 C TYR B 20 3.511 -6.345 -0.679 1.00 0.00 C ATOM 133 O TYR B 20 2.623 -6.811 -1.397 1.00 0.00 O ATOM 134 CB TYR B 20 3.101 -4.947 1.348 1.00 0.00 C ATOM 135 CG TYR B 20 1.802 -5.632 1.726 1.00 0.00 C ATOM 136 CD1 TYR B 20 1.752 -7.002 1.959 1.00 0.00 C ATOM 137 CD2 TYR B 20 0.628 -4.906 1.855 1.00 0.00 C ATOM 138 CE1 TYR B 20 0.569 -7.624 2.310 1.00 0.00 C ATOM 139 CE2 TYR B 20 -0.559 -5.519 2.205 1.00 0.00 C ATOM 140 CZ TYR B 20 -0.583 -6.877 2.432 1.00 0.00 C ATOM 141 OH TYR B 20 -1.764 -7.490 2.782 1.00 0.00 O ATOM 0 H TYR B 20 1.760 -4.792 -1.430 1.00 0.00 H new ATOM 0 HA TYR B 20 4.359 -4.412 -0.287 1.00 0.00 H new ATOM 0 HB2 TYR B 20 3.921 -5.445 1.865 1.00 0.00 H new ATOM 0 HB3 TYR B 20 3.072 -3.920 1.712 1.00 0.00 H new ATOM 0 HD1 TYR B 20 2.653 -7.590 1.864 1.00 0.00 H new ATOM 0 HD2 TYR B 20 0.642 -3.841 1.678 1.00 0.00 H new ATOM 0 HE1 TYR B 20 0.547 -8.689 2.488 1.00 0.00 H new ATOM 0 HE2 TYR B 20 -1.463 -4.937 2.300 1.00 0.00 H new ATOM 0 HH TYR B 20 -2.479 -6.821 2.825 1.00 0.00 H new ATOM 151 N GLY B 21 4.594 -7.010 -0.325 1.00 0.00 N ATOM 152 CA GLY B 21 4.814 -8.374 -0.768 1.00 0.00 C ATOM 153 C GLY B 21 4.869 -8.482 -2.278 1.00 0.00 C ATOM 154 O GLY B 21 4.355 -9.471 -2.829 1.00 0.00 O ATOM 155 OXT GLY B 21 5.411 -7.561 -2.924 1.00 0.00 O ATOM 0 H GLY B 21 5.333 -6.630 0.266 1.00 0.00 H new ATOM 0 HA2 GLY B 21 5.747 -8.746 -0.344 1.00 0.00 H new ATOM 0 HA3 GLY B 21 4.015 -9.011 -0.388 1.00 0.00 H new TER 159 GLY B 21 ATOM 160 N GLY A 1 2.267 -0.604 1.967 1.00 0.00 N ATOM 161 CA GLY A 1 3.321 0.264 2.452 1.00 0.00 C ATOM 162 C GLY A 1 3.993 1.040 1.340 1.00 0.00 C ATOM 163 O GLY A 1 4.224 2.244 1.464 1.00 0.00 O ATOM 0 H3 GLY A 1 1.840 -1.112 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.906 0.963 3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.067 -0.334 2.975 1.00 0.00 H new ATOM 167 N GLY A 2 4.295 0.350 0.251 1.00 0.00 N ATOM 168 CA GLY A 2 4.943 0.972 -0.885 1.00 0.00 C ATOM 169 C GLY A 2 4.868 0.087 -2.098 1.00 0.00 C ATOM 170 O GLY A 2 3.789 -0.361 -2.477 1.00 0.00 O ATOM 0 H GLY A 2 4.099 -0.644 0.133 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.469 1.930 -1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.986 1.179 -0.645 1.00 0.00 H new ATOM 174 N ALA A 3 6.009 -0.179 -2.689 1.00 0.00 N ATOM 175 CA ALA A 3 6.077 -1.047 -3.853 1.00 0.00 C ATOM 176 C ALA A 3 5.889 -2.498 -3.423 1.00 0.00 C ATOM 177 O ALA A 3 6.503 -2.944 -2.454 1.00 0.00 O ATOM 178 CB ALA A 3 7.404 -0.868 -4.575 1.00 0.00 C ATOM 0 H ALA A 3 6.909 0.192 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 3 5.279 -0.778 -4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.437 -1.526 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.505 0.168 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.222 -1.118 -3.900 1.00 0.00 H new ATOM 184 N GLY A 4 5.037 -3.224 -4.130 1.00 0.00 N ATOM 185 CA GLY A 4 4.789 -4.610 -3.790 1.00 0.00 C ATOM 186 C GLY A 4 3.803 -5.260 -4.735 1.00 0.00 C ATOM 187 O GLY A 4 3.826 -4.996 -5.938 1.00 0.00 O ATOM 0 H GLY A 4 4.512 -2.879 -4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.729 -5.162 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.407 -4.670 -2.771 1.00 0.00 H new ATOM 191 N HIS A 5 2.935 -6.112 -4.201 1.00 0.00 N ATOM 192 CA HIS A 5 1.942 -6.799 -5.021 1.00 0.00 C ATOM 193 C HIS A 5 0.559 -6.722 -4.386 1.00 0.00 C ATOM 194 O HIS A 5 -0.424 -6.421 -5.061 1.00 0.00 O ATOM 195 CB HIS A 5 2.324 -8.270 -5.239 1.00 0.00 C ATOM 196 CG HIS A 5 3.619 -8.468 -5.969 1.00 0.00 C ATOM 197 ND1 HIS A 5 4.853 -8.297 -5.381 1.00 0.00 N ATOM 198 CD2 HIS A 5 3.865 -8.808 -7.255 1.00 0.00 C ATOM 199 CE1 HIS A 5 5.800 -8.518 -6.267 1.00 0.00 C ATOM 200 NE2 HIS A 5 5.230 -8.832 -7.416 1.00 0.00 N ATOM 0 H HIS A 5 2.898 -6.343 -3.208 1.00 0.00 H new ATOM 0 HA HIS A 5 1.917 -6.295 -5.987 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.387 -8.765 -4.270 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.527 -8.762 -5.797 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.009 -8.038 -4.407 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.127 -9.021 -8.014 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.863 -8.454 -6.086 1.00 0.00 H new ATOM 209 N VAL A 6 0.485 -6.994 -3.091 1.00 0.00 N ATOM 210 CA VAL A 6 -0.783 -6.953 -2.377 1.00 0.00 C ATOM 211 C VAL A 6 -1.065 -5.534 -1.893 1.00 0.00 C ATOM 212 O VAL A 6 -0.227 -4.923 -1.236 1.00 0.00 O ATOM 213 CB VAL A 6 -0.786 -7.920 -1.173 1.00 0.00 C ATOM 214 CG1 VAL A 6 -2.176 -8.018 -0.561 1.00 0.00 C ATOM 215 CG2 VAL A 6 -0.283 -9.295 -1.586 1.00 0.00 C ATOM 0 H VAL A 6 1.287 -7.245 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.564 -7.268 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.109 -7.522 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.153 -8.705 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.494 -7.033 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.878 -8.387 -1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.293 -9.961 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.929 -9.700 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.735 -9.211 -1.967 1.00 0.00 H new ATOM 225 N PRO A 7 -2.240 -4.984 -2.227 1.00 0.00 N ATOM 226 CA PRO A 7 -2.618 -3.623 -1.835 1.00 0.00 C ATOM 227 C PRO A 7 -2.790 -3.462 -0.325 1.00 0.00 C ATOM 228 O PRO A 7 -3.387 -4.311 0.339 1.00 0.00 O ATOM 229 CB PRO A 7 -3.960 -3.391 -2.546 1.00 0.00 C ATOM 230 CG PRO A 7 -4.054 -4.465 -3.576 1.00 0.00 C ATOM 231 CD PRO A 7 -3.286 -5.631 -3.028 1.00 0.00 C ATOM 0 HA PRO A 7 -1.843 -2.908 -2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.791 -3.447 -1.843 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.996 -2.403 -3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.093 -4.736 -3.764 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.634 -4.133 -4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.916 -6.281 -2.421 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.864 -6.247 -3.822 1.00 0.00 H new ATOM 239 N GLU A 8 -2.281 -2.353 0.199 1.00 0.00 N ATOM 240 CA GLU A 8 -2.382 -2.039 1.620 1.00 0.00 C ATOM 241 C GLU A 8 -3.751 -1.459 1.940 1.00 0.00 C ATOM 242 O GLU A 8 -3.869 -0.341 2.441 1.00 0.00 O ATOM 243 CB GLU A 8 -1.284 -1.059 2.043 1.00 0.00 C ATOM 244 CG GLU A 8 0.097 -1.684 2.097 1.00 0.00 C ATOM 245 CD GLU A 8 1.147 -0.749 2.660 1.00 0.00 C ATOM 246 OE1 GLU A 8 0.931 -0.174 3.745 1.00 0.00 O ATOM 0 H GLU A 8 -1.788 -1.647 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.251 -2.965 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.268 -0.221 1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.529 -0.653 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.058 -2.587 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.391 -1.990 1.093 1.00 0.00 H new ATOM 253 N TYR A 9 -4.778 -2.228 1.633 1.00 0.00 N ATOM 254 CA TYR A 9 -6.149 -1.811 1.878 1.00 0.00 C ATOM 255 C TYR A 9 -6.518 -2.023 3.338 1.00 0.00 C ATOM 256 O TYR A 9 -5.949 -2.877 4.020 1.00 0.00 O ATOM 257 CB TYR A 9 -7.120 -2.570 0.971 1.00 0.00 C ATOM 258 CG TYR A 9 -8.562 -2.130 1.105 1.00 0.00 C ATOM 259 CD1 TYR A 9 -8.934 -0.816 0.845 1.00 0.00 C ATOM 260 CD2 TYR A 9 -9.548 -3.025 1.501 1.00 0.00 C ATOM 261 CE1 TYR A 9 -10.246 -0.408 0.977 1.00 0.00 C ATOM 262 CE2 TYR A 9 -10.863 -2.624 1.633 1.00 0.00 C ATOM 263 CZ TYR A 9 -11.207 -1.315 1.371 1.00 0.00 C ATOM 264 OH TYR A 9 -12.514 -0.910 1.508 1.00 0.00 O ATOM 0 H TYR A 9 -4.689 -3.152 1.210 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.225 -0.748 1.649 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.807 -2.443 -0.065 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.054 -3.635 1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.184 -0.103 0.535 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.282 -4.051 1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.519 0.617 0.773 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -11.618 -3.332 1.940 1.00 0.00 H new ATOM 0 HH TYR A 9 -13.064 -1.670 1.791 1.00 0.00 H new ATOM 274 N PHE A 10 -7.478 -1.244 3.792 1.00 0.00 N ATOM 275 CA PHE A 10 -7.968 -1.310 5.158 1.00 0.00 C ATOM 276 C PHE A 10 -9.343 -0.663 5.233 1.00 0.00 C ATOM 277 O PHE A 10 -9.802 -0.156 4.185 1.00 0.00 O ATOM 278 CB PHE A 10 -6.986 -0.626 6.126 1.00 0.00 C ATOM 279 CG PHE A 10 -6.474 0.715 5.660 1.00 0.00 C ATOM 280 CD1 PHE A 10 -7.339 1.778 5.445 1.00 0.00 C ATOM 281 CD2 PHE A 10 -5.120 0.906 5.437 1.00 0.00 C ATOM 282 CE1 PHE A 10 -6.863 3.003 5.018 1.00 0.00 C ATOM 283 CE2 PHE A 10 -4.638 2.129 5.009 1.00 0.00 C ATOM 284 CZ PHE A 10 -5.511 3.178 4.799 1.00 0.00 C ATOM 285 OXT PHE A 10 -9.951 -0.670 6.322 1.00 0.00 O ATOM 0 H PHE A 10 -7.946 -0.540 3.220 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.050 -2.355 5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.478 -0.497 7.090 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.136 -1.288 6.288 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.398 1.647 5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.432 0.089 5.600 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.548 3.822 4.856 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.580 2.264 4.839 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.137 4.134 4.464 1.00 0.00 H new TER 295 PHE A 10