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= -1.29 (180deg=-1.29) USER MOD Single : A 5 HIS : no HE2:sc= -0.439! C(o=-0.44!,f=-7.3!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 98:sc= 0.313 USER MOD Single : B 18 SER OG : rot 180:sc= 0.121 USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL B 11 2.276 4.527 3.897 1.00 0.00 N ATOM 2 CA VAL B 11 3.024 5.375 2.948 1.00 0.00 C ATOM 3 C VAL B 11 3.666 4.503 1.881 1.00 0.00 C ATOM 4 O VAL B 11 4.248 3.465 2.192 1.00 0.00 O ATOM 5 CB VAL B 11 4.117 6.197 3.668 1.00 0.00 C ATOM 6 CG1 VAL B 11 4.820 7.138 2.699 1.00 0.00 C ATOM 7 CG2 VAL B 11 3.521 6.974 4.832 1.00 0.00 C ATOM 0 HA VAL B 11 2.321 6.070 2.489 1.00 0.00 H new ATOM 0 HB VAL B 11 4.859 5.502 4.060 1.00 0.00 H new ATOM 0 HG11 VAL B 11 5.584 7.704 3.232 1.00 0.00 H new ATOM 0 HG12 VAL B 11 5.287 6.558 1.903 1.00 0.00 H new ATOM 0 HG13 VAL B 11 4.093 7.826 2.268 1.00 0.00 H new ATOM 0 HG21 VAL B 11 4.305 7.547 5.327 1.00 0.00 H new ATOM 0 HG22 VAL B 11 2.754 7.654 4.461 1.00 0.00 H new ATOM 0 HG23 VAL B 11 3.076 6.279 5.544 1.00 0.00 H new ATOM 19 N GLY B 12 3.543 4.920 0.632 1.00 0.00 N ATOM 20 CA GLY B 12 4.105 4.165 -0.466 1.00 0.00 C ATOM 21 C GLY B 12 4.082 4.960 -1.749 1.00 0.00 C ATOM 22 O GLY B 12 4.770 5.974 -1.866 1.00 0.00 O ATOM 0 H GLY B 12 3.060 5.775 0.357 1.00 0.00 H new ATOM 0 HA2 GLY B 12 5.131 3.884 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY B 12 3.543 3.240 -0.599 1.00 0.00 H new ATOM 26 N ILE B 13 3.282 4.511 -2.705 1.00 0.00 N ATOM 27 CA ILE B 13 3.154 5.191 -3.988 1.00 0.00 C ATOM 28 C ILE B 13 2.304 6.458 -3.838 1.00 0.00 C ATOM 29 O ILE B 13 1.201 6.553 -4.378 1.00 0.00 O ATOM 30 CB ILE B 13 2.530 4.264 -5.059 1.00 0.00 C ATOM 31 CG1 ILE B 13 3.194 2.882 -5.017 1.00 0.00 C ATOM 32 CG2 ILE B 13 2.680 4.879 -6.447 1.00 0.00 C ATOM 33 CD1 ILE B 13 2.567 1.872 -5.957 1.00 0.00 C ATOM 0 H ILE B 13 2.708 3.673 -2.616 1.00 0.00 H new ATOM 0 HA ILE B 13 4.156 5.466 -4.318 1.00 0.00 H new ATOM 0 HB ILE B 13 1.468 4.149 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE B 13 4.250 2.989 -5.266 1.00 0.00 H new ATOM 0 HG13 ILE B 13 3.144 2.496 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE B 13 2.236 4.215 -7.189 1.00 0.00 H new ATOM 0 HG22 ILE B 13 2.173 5.844 -6.474 1.00 0.00 H new ATOM 0 HG23 ILE B 13 3.738 5.018 -6.671 1.00 0.00 H new ATOM 0 HD11 ILE B 13 3.091 0.920 -5.870 1.00 0.00 H new ATOM 0 HD12 ILE B 13 1.518 1.734 -5.696 1.00 0.00 H new ATOM 0 HD13 ILE B 13 2.641 2.234 -6.982 1.00 0.00 H new ATOM 45 N GLY B 14 2.818 7.418 -3.075 1.00 0.00 N ATOM 46 CA GLY B 14 2.108 8.664 -2.838 1.00 0.00 C ATOM 47 C GLY B 14 1.031 8.539 -1.778 1.00 0.00 C ATOM 48 O GLY B 14 0.855 9.429 -0.948 1.00 0.00 O ATOM 0 H GLY B 14 3.724 7.354 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.821 9.430 -2.535 1.00 0.00 H new ATOM 0 HA3 GLY B 14 1.655 9.001 -3.770 1.00 0.00 H new ATOM 52 N THR B 15 0.313 7.436 -1.817 1.00 0.00 N ATOM 53 CA THR B 15 -0.759 7.171 -0.876 1.00 0.00 C ATOM 54 C THR B 15 -0.237 6.970 0.551 1.00 0.00 C ATOM 55 O THR B 15 0.760 6.276 0.775 1.00 0.00 O ATOM 56 CB THR B 15 -1.567 5.939 -1.318 1.00 0.00 C ATOM 57 OG1 THR B 15 -0.699 4.995 -1.960 1.00 0.00 O ATOM 58 CG2 THR B 15 -2.686 6.337 -2.269 1.00 0.00 C ATOM 0 H THR B 15 0.456 6.695 -2.503 1.00 0.00 H new ATOM 0 HA THR B 15 -1.407 8.047 -0.870 1.00 0.00 H new ATOM 0 HB THR B 15 -2.012 5.484 -0.433 1.00 0.00 H new ATOM 0 HG1 THR B 15 -0.431 4.307 -1.316 1.00 0.00 H new ATOM 0 HG21 THR B 15 -3.243 5.449 -2.567 1.00 0.00 H new ATOM 0 HG22 THR B 15 -3.357 7.035 -1.769 1.00 0.00 H new ATOM 0 HG23 THR B 15 -2.261 6.812 -3.153 1.00 0.00 H new ATOM 66 N PRO B 16 -0.909 7.593 1.539 1.00 0.00 N ATOM 67 CA PRO B 16 -0.527 7.502 2.954 1.00 0.00 C ATOM 68 C PRO B 16 -0.729 6.098 3.520 1.00 0.00 C ATOM 69 O PRO B 16 -0.074 5.710 4.491 1.00 0.00 O ATOM 70 CB PRO B 16 -1.464 8.496 3.657 1.00 0.00 C ATOM 71 CG PRO B 16 -2.055 9.327 2.569 1.00 0.00 C ATOM 72 CD PRO B 16 -2.088 8.450 1.352 1.00 0.00 C ATOM 0 HA PRO B 16 0.531 7.724 3.097 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.240 7.974 4.217 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -0.917 9.114 4.369 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -3.057 9.663 2.835 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -1.456 10.220 2.391 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -3.008 7.867 1.298 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -2.024 9.031 0.432 1.00 0.00 H new ATOM 80 N ILE B 17 -1.641 5.350 2.906 1.00 0.00 N ATOM 81 CA ILE B 17 -1.955 3.986 3.327 1.00 0.00 C ATOM 82 C ILE B 17 -0.726 3.080 3.280 1.00 0.00 C ATOM 83 O ILE B 17 0.249 3.365 2.581 1.00 0.00 O ATOM 84 CB ILE B 17 -3.073 3.371 2.459 1.00 0.00 C ATOM 85 CG1 ILE B 17 -2.679 3.393 0.977 1.00 0.00 C ATOM 86 CG2 ILE B 17 -4.383 4.116 2.681 1.00 0.00 C ATOM 87 CD1 ILE B 17 -3.717 2.781 0.060 1.00 0.00 C ATOM 0 H ILE B 17 -2.183 5.671 2.104 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.300 4.054 4.359 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.213 2.332 2.756 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -2.502 4.425 0.673 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.737 2.858 0.853 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -5.163 3.672 2.063 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -4.668 4.046 3.731 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -4.256 5.164 2.409 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.368 2.833 -0.971 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -3.878 1.739 0.336 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.654 3.330 0.154 1.00 0.00 H new ATOM 99 N SER B 18 -0.774 1.996 4.036 1.00 0.00 N ATOM 100 CA SER B 18 0.324 1.048 4.095 1.00 0.00 C ATOM 101 C SER B 18 0.316 0.113 2.892 1.00 0.00 C ATOM 102 O SER B 18 -0.642 0.085 2.123 1.00 0.00 O ATOM 103 CB SER B 18 0.241 0.260 5.395 1.00 0.00 C ATOM 104 OG SER B 18 -1.105 0.146 5.827 1.00 0.00 O ATOM 0 H SER B 18 -1.571 1.750 4.623 1.00 0.00 H new ATOM 0 HA SER B 18 1.264 1.599 4.068 1.00 0.00 H new ATOM 0 HB2 SER B 18 0.668 -0.733 5.252 1.00 0.00 H new ATOM 0 HB3 SER B 18 0.834 0.754 6.164 1.00 0.00 H new ATOM 0 HG SER B 18 -1.138 -0.365 6.663 1.00 0.00 H new ATOM 110 N PHE B 19 1.398 -0.632 2.729 1.00 0.00 N ATOM 111 CA PHE B 19 1.548 -1.564 1.614 1.00 0.00 C ATOM 112 C PHE B 19 2.120 -2.889 2.102 1.00 0.00 C ATOM 113 O PHE B 19 2.439 -3.043 3.283 1.00 0.00 O ATOM 114 CB PHE B 19 2.486 -0.986 0.539 1.00 0.00 C ATOM 115 CG PHE B 19 1.913 0.148 -0.273 1.00 0.00 C ATOM 116 CD1 PHE B 19 1.614 1.370 0.309 1.00 0.00 C ATOM 117 CD2 PHE B 19 1.679 -0.014 -1.627 1.00 0.00 C ATOM 118 CE1 PHE B 19 1.092 2.403 -0.444 1.00 0.00 C ATOM 119 CE2 PHE B 19 1.157 1.015 -2.385 1.00 0.00 C ATOM 120 CZ PHE B 19 0.863 2.225 -1.793 1.00 0.00 C ATOM 0 H PHE B 19 2.197 -0.610 3.362 1.00 0.00 H new ATOM 0 HA PHE B 19 0.560 -1.725 1.183 1.00 0.00 H new ATOM 0 HB2 PHE B 19 3.398 -0.639 1.025 1.00 0.00 H new ATOM 0 HB3 PHE B 19 2.772 -1.789 -0.140 1.00 0.00 H new ATOM 0 HD1 PHE B 19 1.791 1.516 1.364 1.00 0.00 H new ATOM 0 HD2 PHE B 19 1.908 -0.959 -2.098 1.00 0.00 H new ATOM 0 HE1 PHE B 19 0.863 3.350 0.023 1.00 0.00 H new ATOM 0 HE2 PHE B 19 0.979 0.872 -3.441 1.00 0.00 H new ATOM 0 HZ PHE B 19 0.454 3.032 -2.384 1.00 0.00 H new ATOM 130 N TYR B 20 2.248 -3.829 1.180 1.00 0.00 N ATOM 131 CA TYR B 20 2.796 -5.149 1.470 1.00 0.00 C ATOM 132 C TYR B 20 3.177 -5.844 0.178 1.00 0.00 C ATOM 133 O TYR B 20 2.752 -5.432 -0.902 1.00 0.00 O ATOM 134 CB TYR B 20 1.814 -6.021 2.261 1.00 0.00 C ATOM 135 CG TYR B 20 0.512 -6.329 1.546 1.00 0.00 C ATOM 136 CD1 TYR B 20 0.396 -7.433 0.708 1.00 0.00 C ATOM 137 CD2 TYR B 20 -0.599 -5.519 1.713 1.00 0.00 C ATOM 138 CE1 TYR B 20 -0.792 -7.716 0.061 1.00 0.00 C ATOM 139 CE2 TYR B 20 -1.790 -5.793 1.070 1.00 0.00 C ATOM 140 CZ TYR B 20 -1.882 -6.892 0.247 1.00 0.00 C ATOM 141 OH TYR B 20 -3.067 -7.169 -0.394 1.00 0.00 O ATOM 0 H TYR B 20 1.975 -3.700 0.206 1.00 0.00 H new ATOM 0 HA TYR B 20 3.681 -5.008 2.090 1.00 0.00 H new ATOM 0 HB2 TYR B 20 2.306 -6.961 2.510 1.00 0.00 H new ATOM 0 HB3 TYR B 20 1.585 -5.522 3.202 1.00 0.00 H new ATOM 0 HD1 TYR B 20 1.248 -8.080 0.560 1.00 0.00 H new ATOM 0 HD2 TYR B 20 -0.533 -4.656 2.359 1.00 0.00 H new ATOM 0 HE1 TYR B 20 -0.866 -8.577 -0.586 1.00 0.00 H new ATOM 0 HE2 TYR B 20 -2.645 -5.148 1.212 1.00 0.00 H new ATOM 0 HH TYR B 20 -3.734 -6.492 -0.155 1.00 0.00 H new ATOM 151 N GLY B 21 3.980 -6.884 0.303 1.00 0.00 N ATOM 152 CA GLY B 21 4.424 -7.633 -0.859 1.00 0.00 C ATOM 153 C GLY B 21 5.190 -6.769 -1.840 1.00 0.00 C ATOM 154 O GLY B 21 5.957 -5.891 -1.393 1.00 0.00 O ATOM 155 OXT GLY B 21 5.017 -6.946 -3.059 1.00 0.00 O ATOM 0 H GLY B 21 4.337 -7.229 1.194 1.00 0.00 H new ATOM 0 HA2 GLY B 21 5.056 -8.460 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY B 21 3.560 -8.069 -1.360 1.00 0.00 H new TER 159 GLY B 21 ATOM 160 N GLY A 1 0.470 -3.061 5.402 1.00 0.00 N ATOM 161 CA GLY A 1 1.106 -3.110 6.706 1.00 0.00 C ATOM 162 C GLY A 1 2.261 -2.136 6.833 1.00 0.00 C ATOM 163 O GLY A 1 2.413 -1.473 7.855 1.00 0.00 O ATOM 0 H3 GLY A 1 -0.312 -3.746 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.365 -2.891 7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.468 -4.121 6.891 1.00 0.00 H new ATOM 167 N GLY A 2 3.074 -2.052 5.792 1.00 0.00 N ATOM 168 CA GLY A 2 4.216 -1.160 5.803 1.00 0.00 C ATOM 169 C GLY A 2 4.743 -0.933 4.413 1.00 0.00 C ATOM 170 O GLY A 2 3.991 -0.572 3.511 1.00 0.00 O ATOM 0 H GLY A 2 2.963 -2.590 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.931 -0.206 6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.003 -1.581 6.429 1.00 0.00 H new ATOM 174 N ALA A 3 6.024 -1.158 4.240 1.00 0.00 N ATOM 175 CA ALA A 3 6.655 -1.003 2.940 1.00 0.00 C ATOM 176 C ALA A 3 6.355 -2.223 2.075 1.00 0.00 C ATOM 177 O ALA A 3 6.446 -3.357 2.546 1.00 0.00 O ATOM 178 CB ALA A 3 8.156 -0.811 3.095 1.00 0.00 C ATOM 0 H ALA A 3 6.657 -1.451 4.984 1.00 0.00 H new ATOM 0 HA ALA A 3 6.251 -0.116 2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.612 -0.697 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.349 0.081 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.584 -1.680 3.594 1.00 0.00 H new ATOM 184 N GLY A 4 5.988 -1.993 0.823 1.00 0.00 N ATOM 185 CA GLY A 4 5.679 -3.095 -0.065 1.00 0.00 C ATOM 186 C GLY A 4 5.295 -2.627 -1.452 1.00 0.00 C ATOM 187 O GLY A 4 5.843 -1.643 -1.953 1.00 0.00 O ATOM 0 H GLY A 4 5.899 -1.066 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.543 -3.756 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.862 -3.680 0.357 1.00 0.00 H new ATOM 191 N HIS A 5 4.359 -3.329 -2.078 1.00 0.00 N ATOM 192 CA HIS A 5 3.912 -2.976 -3.421 1.00 0.00 C ATOM 193 C HIS A 5 2.392 -2.894 -3.487 1.00 0.00 C ATOM 194 O HIS A 5 1.839 -1.982 -4.099 1.00 0.00 O ATOM 195 CB HIS A 5 4.417 -3.990 -4.457 1.00 0.00 C ATOM 196 CG HIS A 5 5.911 -4.074 -4.557 1.00 0.00 C ATOM 197 ND1 HIS A 5 6.699 -4.692 -3.611 1.00 0.00 N ATOM 198 CD2 HIS A 5 6.763 -3.598 -5.495 1.00 0.00 C ATOM 199 CE1 HIS A 5 7.964 -4.593 -3.955 1.00 0.00 C ATOM 200 NE2 HIS A 5 8.035 -3.933 -5.097 1.00 0.00 N ATOM 0 H HIS A 5 3.895 -4.145 -1.679 1.00 0.00 H new ATOM 0 HA HIS A 5 4.330 -1.997 -3.655 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.025 -4.975 -4.205 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.013 -3.726 -5.434 1.00 0.00 H new ATOM 0 HD1 HIS A 5 6.353 -5.156 -2.771 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.493 -3.056 -6.389 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.803 -4.985 -3.398 1.00 0.00 H new ATOM 209 N VAL A 6 1.721 -3.847 -2.856 1.00 0.00 N ATOM 210 CA VAL A 6 0.266 -3.875 -2.844 1.00 0.00 C ATOM 211 C VAL A 6 -0.262 -3.083 -1.651 1.00 0.00 C ATOM 212 O VAL A 6 0.148 -3.318 -0.517 1.00 0.00 O ATOM 213 CB VAL A 6 -0.269 -5.323 -2.782 1.00 0.00 C ATOM 214 CG1 VAL A 6 -1.778 -5.353 -2.982 1.00 0.00 C ATOM 215 CG2 VAL A 6 0.427 -6.199 -3.814 1.00 0.00 C ATOM 0 H VAL A 6 2.162 -4.612 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.084 -3.420 -3.771 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.050 -5.722 -1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.131 -6.383 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.260 -4.767 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.024 -4.930 -3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.035 -7.214 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.246 -5.799 -4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.499 -6.211 -3.617 1.00 0.00 H new ATOM 225 N PRO A 7 -1.162 -2.121 -1.892 1.00 0.00 N ATOM 226 CA PRO A 7 -1.733 -1.281 -0.834 1.00 0.00 C ATOM 227 C PRO A 7 -2.637 -2.059 0.122 1.00 0.00 C ATOM 228 O PRO A 7 -3.420 -2.911 -0.301 1.00 0.00 O ATOM 229 CB PRO A 7 -2.555 -0.232 -1.599 1.00 0.00 C ATOM 230 CG PRO A 7 -2.114 -0.336 -3.020 1.00 0.00 C ATOM 231 CD PRO A 7 -1.685 -1.759 -3.215 1.00 0.00 C ATOM 0 HA PRO A 7 -0.951 -0.858 -0.204 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.623 -0.426 -1.505 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.377 0.769 -1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.925 -0.076 -3.700 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.293 0.351 -3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.518 -2.397 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.924 -1.850 -3.990 1.00 0.00 H new ATOM 239 N GLU A 8 -2.540 -1.741 1.409 1.00 0.00 N ATOM 240 CA GLU A 8 -3.359 -2.381 2.433 1.00 0.00 C ATOM 241 C GLU A 8 -4.719 -1.702 2.514 1.00 0.00 C ATOM 242 O GLU A 8 -5.158 -1.273 3.581 1.00 0.00 O ATOM 243 CB GLU A 8 -2.663 -2.335 3.799 1.00 0.00 C ATOM 244 CG GLU A 8 -1.427 -3.213 3.887 1.00 0.00 C ATOM 245 CD GLU A 8 -0.837 -3.264 5.284 1.00 0.00 C ATOM 246 OE1 GLU A 8 -1.585 -3.509 6.251 1.00 0.00 O ATOM 0 H GLU A 8 -1.896 -1.037 1.770 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.498 -3.426 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.382 -1.305 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.372 -2.643 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.682 -4.224 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.673 -2.841 3.193 1.00 0.00 H new ATOM 253 N TYR A 9 -5.370 -1.606 1.371 1.00 0.00 N ATOM 254 CA TYR A 9 -6.677 -0.980 1.271 1.00 0.00 C ATOM 255 C TYR A 9 -7.366 -1.422 -0.006 1.00 0.00 C ATOM 256 O TYR A 9 -6.709 -1.792 -0.981 1.00 0.00 O ATOM 257 CB TYR A 9 -6.552 0.546 1.302 1.00 0.00 C ATOM 258 CG TYR A 9 -7.871 1.286 1.256 1.00 0.00 C ATOM 259 CD1 TYR A 9 -8.840 1.084 2.232 1.00 0.00 C ATOM 260 CD2 TYR A 9 -8.145 2.188 0.236 1.00 0.00 C ATOM 261 CE1 TYR A 9 -10.044 1.758 2.191 1.00 0.00 C ATOM 262 CE2 TYR A 9 -9.348 2.866 0.188 1.00 0.00 C ATOM 263 CZ TYR A 9 -10.294 2.647 1.167 1.00 0.00 C ATOM 264 OH TYR A 9 -11.495 3.317 1.119 1.00 0.00 O ATOM 0 H TYR A 9 -5.009 -1.959 0.485 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.276 -1.292 2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.019 0.836 2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.942 0.865 0.457 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.648 0.388 3.035 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.406 2.362 -0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.786 1.590 2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -9.546 3.564 -0.612 1.00 0.00 H new ATOM 0 HH TYR A 9 -11.510 3.906 0.336 1.00 0.00 H new ATOM 274 N PHE A 10 -8.682 -1.371 0.015 1.00 0.00 N ATOM 275 CA PHE A 10 -9.501 -1.751 -1.126 1.00 0.00 C ATOM 276 C PHE A 10 -10.704 -0.825 -1.204 1.00 0.00 C ATOM 277 O PHE A 10 -11.295 -0.703 -2.293 1.00 0.00 O ATOM 278 CB PHE A 10 -9.982 -3.207 -1.012 1.00 0.00 C ATOM 279 CG PHE A 10 -8.879 -4.233 -0.995 1.00 0.00 C ATOM 280 CD1 PHE A 10 -8.235 -4.564 0.188 1.00 0.00 C ATOM 281 CD2 PHE A 10 -8.484 -4.861 -2.165 1.00 0.00 C ATOM 282 CE1 PHE A 10 -7.220 -5.501 0.203 1.00 0.00 C ATOM 283 CE2 PHE A 10 -7.470 -5.799 -2.156 1.00 0.00 C ATOM 284 CZ PHE A 10 -6.837 -6.120 -0.971 1.00 0.00 C ATOM 285 OXT PHE A 10 -11.040 -0.224 -0.160 1.00 0.00 O ATOM 0 H PHE A 10 -9.219 -1.064 0.826 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.896 -1.665 -2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -10.571 -3.311 -0.101 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -10.648 -3.422 -1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.531 -4.083 1.109 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.975 -4.614 -3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.727 -5.749 1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.172 -6.281 -3.075 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.044 -6.853 -0.962 1.00 0.00 H new TER 295 PHE A 10