USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 141 hydrogens (3 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 142 SER OG : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 5:sc= 0.68 USER MOD Single : A 158 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 140 9.233 7.980 16.876 1.00 0.00 C HETATM 2 O ACE A 140 9.808 6.892 16.870 1.00 0.00 O HETATM 3 CH3 ACE A 140 8.761 8.593 15.603 1.00 0.00 C HETATM 0 H1 ACE A 140 7.681 8.731 15.644 1.00 0.00 H new HETATM 0 H2 ACE A 140 9.245 9.559 15.463 1.00 0.00 H new HETATM 0 H3 ACE A 140 9.011 7.937 14.769 1.00 0.00 H new ATOM 7 N GLY A 141 8.983 8.690 17.966 1.00 0.00 N ATOM 8 CA GLY A 141 9.386 8.214 19.278 1.00 0.00 C ATOM 9 C GLY A 141 8.167 7.922 20.155 1.00 0.00 C ATOM 10 O GLY A 141 7.961 6.786 20.580 1.00 0.00 O ATOM 0 H GLY A 141 8.506 9.592 17.967 1.00 0.00 H new ATOM 0 HA2 GLY A 141 9.987 7.311 19.172 1.00 0.00 H new ATOM 0 HA3 GLY A 141 10.016 8.961 19.762 1.00 0.00 H new ATOM 14 N SER A 142 7.389 8.966 20.399 1.00 0.00 N ATOM 15 CA SER A 142 6.195 8.836 21.217 1.00 0.00 C ATOM 16 C SER A 142 4.948 9.087 20.366 1.00 0.00 C ATOM 17 O SER A 142 5.053 9.482 19.206 1.00 0.00 O ATOM 18 CB SER A 142 6.232 9.802 22.403 1.00 0.00 C ATOM 19 OG SER A 142 5.785 9.186 23.607 1.00 0.00 O ATOM 0 H SER A 142 7.562 9.907 20.044 1.00 0.00 H new ATOM 0 HA SER A 142 6.159 7.821 21.612 1.00 0.00 H new ATOM 0 HB2 SER A 142 7.249 10.169 22.540 1.00 0.00 H new ATOM 0 HB3 SER A 142 5.607 10.668 22.185 1.00 0.00 H new ATOM 0 HG SER A 142 5.825 9.834 24.341 1.00 0.00 H new ATOM 25 N GLY A 143 3.797 8.846 20.977 1.00 0.00 N ATOM 26 CA GLY A 143 2.531 9.041 20.290 1.00 0.00 C ATOM 27 C GLY A 143 1.381 8.398 21.067 1.00 0.00 C ATOM 28 O GLY A 143 1.117 8.766 22.211 1.00 0.00 O ATOM 0 H GLY A 143 3.715 8.518 21.939 1.00 0.00 H new ATOM 0 HA2 GLY A 143 2.340 10.107 20.167 1.00 0.00 H new ATOM 0 HA3 GLY A 143 2.585 8.610 19.290 1.00 0.00 H new ATOM 32 N VAL A 144 0.728 7.447 20.416 1.00 0.00 N ATOM 33 CA VAL A 144 -0.388 6.749 21.032 1.00 0.00 C ATOM 34 C VAL A 144 -1.018 5.801 20.009 1.00 0.00 C ATOM 35 O VAL A 144 -1.546 6.245 18.990 1.00 0.00 O ATOM 36 CB VAL A 144 -1.384 7.758 21.605 1.00 0.00 C ATOM 37 CG1 VAL A 144 -1.150 7.969 23.102 1.00 0.00 C ATOM 38 CG2 VAL A 144 -1.318 9.085 20.847 1.00 0.00 C ATOM 0 H VAL A 144 0.950 7.143 19.468 1.00 0.00 H new ATOM 0 HA VAL A 144 -0.044 6.142 21.869 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.386 7.349 21.477 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -1.871 8.691 23.485 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.272 7.021 23.626 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.140 8.345 23.263 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -2.036 9.784 21.275 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -0.314 9.501 20.928 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -1.557 8.916 19.797 1.00 0.00 H new ATOM 48 N ARG A 145 -0.943 4.515 20.316 1.00 0.00 N ATOM 49 CA ARG A 145 -1.499 3.501 19.436 1.00 0.00 C ATOM 50 C ARG A 145 -2.962 3.233 19.794 1.00 0.00 C ATOM 51 O ARG A 145 -3.251 2.423 20.673 1.00 0.00 O ATOM 52 CB ARG A 145 -0.710 2.194 19.532 1.00 0.00 C ATOM 53 CG ARG A 145 0.665 2.334 18.875 1.00 0.00 C ATOM 54 CD ARG A 145 0.686 1.665 17.500 1.00 0.00 C ATOM 55 NE ARG A 145 1.071 2.649 16.464 1.00 0.00 N ATOM 56 CZ ARG A 145 0.197 3.454 15.822 1.00 0.00 C ATOM 57 NH1 ARG A 145 -1.122 3.397 16.105 1.00 0.00 N ATOM 58 NH2 ARG A 145 0.651 4.297 14.914 1.00 0.00 N ATOM 0 H ARG A 145 -0.505 4.151 21.162 1.00 0.00 H new ATOM 0 HA ARG A 145 -1.433 3.877 18.415 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -0.590 1.913 20.578 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -1.268 1.392 19.049 1.00 0.00 H new ATOM 0 HG2 ARG A 145 0.918 3.389 18.774 1.00 0.00 H new ATOM 0 HG3 ARG A 145 1.425 1.884 19.514 1.00 0.00 H new ATOM 0 HD2 ARG A 145 1.390 0.833 17.502 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -0.296 1.251 17.273 1.00 0.00 H new ATOM 0 HE ARG A 145 2.058 2.724 16.219 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -1.465 2.743 16.808 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -1.775 4.008 15.616 1.00 0.00 H new ATOM 0 HH21 ARG A 145 1.649 4.334 14.706 1.00 0.00 H new ATOM 0 HH22 ARG A 145 0.004 4.912 14.420 1.00 0.00 H new ATOM 71 N GLY A 146 -3.847 3.929 19.095 1.00 0.00 N ATOM 72 CA GLY A 146 -5.273 3.776 19.329 1.00 0.00 C ATOM 73 C GLY A 146 -5.965 3.161 18.111 1.00 0.00 C ATOM 74 O GLY A 146 -5.376 2.343 17.405 1.00 0.00 O ATOM 0 H GLY A 146 -3.604 4.600 18.366 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -5.436 3.144 20.202 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -5.715 4.747 19.551 1.00 0.00 H new ATOM 78 N ASP A 147 -7.205 3.578 17.901 1.00 0.00 N ATOM 79 CA ASP A 147 -7.983 3.078 16.780 1.00 0.00 C ATOM 80 C ASP A 147 -7.243 3.381 15.476 1.00 0.00 C ATOM 81 O ASP A 147 -6.970 2.475 14.689 1.00 0.00 O ATOM 82 CB ASP A 147 -9.353 3.756 16.715 1.00 0.00 C ATOM 83 CG ASP A 147 -10.403 3.186 17.670 1.00 0.00 C ATOM 84 OD1 ASP A 147 -10.198 2.131 18.289 1.00 0.00 O ATOM 85 OD2 ASP A 147 -11.486 3.880 17.769 1.00 0.00 O ATOM 0 H ASP A 147 -7.690 4.256 18.488 1.00 0.00 H new ATOM 0 HA ASP A 147 -8.118 2.005 16.915 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -9.227 4.817 16.929 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -9.731 3.680 15.696 1.00 0.00 H new ATOM 91 N PHE A 148 -6.941 4.657 15.286 1.00 0.00 N ATOM 92 CA PHE A 148 -6.238 5.090 14.091 1.00 0.00 C ATOM 93 C PHE A 148 -5.115 4.115 13.732 1.00 0.00 C ATOM 94 O PHE A 148 -4.645 3.363 14.584 1.00 0.00 O ATOM 95 CB PHE A 148 -5.630 6.459 14.400 1.00 0.00 C ATOM 96 CG PHE A 148 -6.345 7.626 13.717 1.00 0.00 C ATOM 97 CD1 PHE A 148 -7.574 8.017 14.149 1.00 0.00 C ATOM 98 CD2 PHE A 148 -5.752 8.273 12.678 1.00 0.00 C ATOM 99 CE1 PHE A 148 -8.238 9.101 13.515 1.00 0.00 C ATOM 100 CE2 PHE A 148 -6.416 9.357 12.044 1.00 0.00 C ATOM 101 CZ PHE A 148 -7.645 9.748 12.476 1.00 0.00 C ATOM 0 H PHE A 148 -7.171 5.405 15.940 1.00 0.00 H new ATOM 0 HA PHE A 148 -6.928 5.133 13.249 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -5.646 6.617 15.478 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -4.584 6.458 14.094 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -8.045 7.503 14.974 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -4.776 7.963 12.335 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -9.214 9.411 13.858 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -5.945 9.871 11.219 1.00 0.00 H new ATOM 0 HZ PHE A 148 -8.150 10.572 11.994 1.00 0.00 H new ATOM 111 N GLY A 149 -4.717 4.160 12.469 1.00 0.00 N ATOM 112 CA GLY A 149 -3.657 3.291 11.987 1.00 0.00 C ATOM 113 C GLY A 149 -2.498 4.106 11.410 1.00 0.00 C ATOM 114 O GLY A 149 -1.902 4.925 12.108 1.00 0.00 O ATOM 0 H GLY A 149 -5.110 4.785 11.765 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -3.295 2.666 12.803 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -4.051 2.621 11.223 1.00 0.00 H new ATOM 118 N SER A 150 -2.214 3.855 10.140 1.00 0.00 N ATOM 119 CA SER A 150 -1.137 4.555 9.461 1.00 0.00 C ATOM 120 C SER A 150 -1.359 4.515 7.948 1.00 0.00 C ATOM 121 O SER A 150 -2.080 3.654 7.445 1.00 0.00 O ATOM 122 CB SER A 150 0.223 3.950 9.815 1.00 0.00 C ATOM 123 OG SER A 150 0.556 4.151 11.185 1.00 0.00 O ATOM 0 H SER A 150 -2.711 3.176 9.564 1.00 0.00 H new ATOM 0 HA SER A 150 -1.140 5.593 9.795 1.00 0.00 H new ATOM 0 HB2 SER A 150 0.212 2.882 9.597 1.00 0.00 H new ATOM 0 HB3 SER A 150 0.993 4.396 9.186 1.00 0.00 H new ATOM 0 HG SER A 150 -0.197 4.578 11.645 1.00 0.00 H new ATOM 129 N LEU A 151 -0.727 5.458 7.264 1.00 0.00 N ATOM 130 CA LEU A 151 -0.846 5.541 5.818 1.00 0.00 C ATOM 131 C LEU A 151 -0.696 4.142 5.218 1.00 0.00 C ATOM 132 O LEU A 151 -0.241 3.218 5.891 1.00 0.00 O ATOM 133 CB LEU A 151 0.146 6.561 5.257 1.00 0.00 C ATOM 134 CG LEU A 151 -0.403 7.969 5.018 1.00 0.00 C ATOM 135 CD1 LEU A 151 -1.517 7.953 3.970 1.00 0.00 C ATOM 136 CD2 LEU A 151 -0.860 8.609 6.330 1.00 0.00 C ATOM 0 H LEU A 151 -0.131 6.171 7.685 1.00 0.00 H new ATOM 0 HA LEU A 151 -1.834 5.905 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 151 0.990 6.633 5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 151 0.535 6.179 4.313 1.00 0.00 H new ATOM 0 HG LEU A 151 0.403 8.587 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -1.889 8.966 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -1.126 7.567 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -2.331 7.315 4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -1.246 9.609 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -1.645 8.000 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -0.016 8.675 7.016 1.00 0.00 H new ATOM 148 N ALA A 152 -1.087 4.029 3.957 1.00 0.00 N ATOM 149 CA ALA A 152 -1.002 2.758 3.257 1.00 0.00 C ATOM 150 C ALA A 152 0.440 2.528 2.800 1.00 0.00 C ATOM 151 O ALA A 152 1.311 3.363 3.039 1.00 0.00 O ATOM 152 CB ALA A 152 -1.992 2.750 2.091 1.00 0.00 C ATOM 0 H ALA A 152 -1.464 4.797 3.402 1.00 0.00 H new ATOM 0 HA ALA A 152 -1.273 1.936 3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -1.928 1.797 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -3.004 2.887 2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -1.750 3.560 1.403 1.00 0.00 H new ATOM 158 N PRO A 153 0.653 1.362 2.134 1.00 0.00 N ATOM 159 CA PRO A 153 1.974 1.011 1.642 1.00 0.00 C ATOM 160 C PRO A 153 2.329 1.827 0.397 1.00 0.00 C ATOM 161 O PRO A 153 1.546 2.666 -0.044 1.00 0.00 O ATOM 162 CB PRO A 153 1.911 -0.483 1.374 1.00 0.00 C ATOM 163 CG PRO A 153 0.433 -0.828 1.283 1.00 0.00 C ATOM 164 CD PRO A 153 -0.355 0.349 1.834 1.00 0.00 C ATOM 0 HA PRO A 153 2.764 1.240 2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 153 2.429 -0.736 0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 153 2.395 -1.044 2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 153 0.150 -1.026 0.249 1.00 0.00 H new ATOM 0 HG3 PRO A 153 0.216 -1.732 1.852 1.00 0.00 H new ATOM 0 HD2 PRO A 153 -1.080 0.715 1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 153 -0.913 0.069 2.727 1.00 0.00 H new ATOM 172 N ARG A 154 3.511 1.552 -0.135 1.00 0.00 N ATOM 173 CA ARG A 154 3.980 2.249 -1.320 1.00 0.00 C ATOM 174 C ARG A 154 4.874 1.333 -2.157 1.00 0.00 C ATOM 175 O ARG A 154 6.097 1.458 -2.129 1.00 0.00 O ATOM 176 CB ARG A 154 4.762 3.509 -0.945 1.00 0.00 C ATOM 177 CG ARG A 154 6.009 3.158 -0.131 1.00 0.00 C ATOM 178 CD ARG A 154 6.260 4.197 0.964 1.00 0.00 C ATOM 179 NE ARG A 154 7.414 5.048 0.600 1.00 0.00 N ATOM 180 CZ ARG A 154 7.337 6.119 -0.218 1.00 0.00 C ATOM 181 NH1 ARG A 154 6.156 6.480 -0.764 1.00 0.00 N ATOM 182 NH2 ARG A 154 8.432 6.809 -0.476 1.00 0.00 N ATOM 0 H ARG A 154 4.158 0.855 0.234 1.00 0.00 H new ATOM 0 HA ARG A 154 3.105 2.538 -1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 154 5.052 4.044 -1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 154 4.124 4.179 -0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 154 5.888 2.172 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 154 6.875 3.104 -0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 154 5.372 4.814 1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 154 6.451 3.697 1.914 1.00 0.00 H new ATOM 0 HE ARG A 154 8.325 4.811 0.992 1.00 0.00 H new ATOM 0 HH11 ARG A 154 5.314 5.942 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 154 6.106 7.291 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 154 9.320 6.531 -0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 154 8.390 7.621 -1.092 1.00 0.00 H new ATOM 195 N VAL A 155 4.229 0.431 -2.883 1.00 0.00 N ATOM 196 CA VAL A 155 4.950 -0.506 -3.726 1.00 0.00 C ATOM 197 C VAL A 155 5.145 0.108 -5.114 1.00 0.00 C ATOM 198 O VAL A 155 4.726 1.238 -5.361 1.00 0.00 O ATOM 199 CB VAL A 155 4.216 -1.848 -3.765 1.00 0.00 C ATOM 200 CG1 VAL A 155 3.343 -2.031 -2.522 1.00 0.00 C ATOM 201 CG2 VAL A 155 3.386 -1.983 -5.043 1.00 0.00 C ATOM 0 H VAL A 155 3.214 0.330 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 155 5.940 -0.704 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 155 4.965 -2.640 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 155 2.832 -2.992 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 155 3.969 -2.001 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 155 2.605 -1.230 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 155 2.875 -2.946 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 155 2.649 -1.181 -5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 155 4.042 -1.919 -5.911 1.00 0.00 H new ATOM 211 N ALA A 156 5.781 -0.663 -5.984 1.00 0.00 N ATOM 212 CA ALA A 156 6.037 -0.208 -7.340 1.00 0.00 C ATOM 213 C ALA A 156 5.808 -1.366 -8.313 1.00 0.00 C ATOM 214 O ALA A 156 5.155 -1.197 -9.342 1.00 0.00 O ATOM 215 CB ALA A 156 7.456 0.357 -7.430 1.00 0.00 C ATOM 0 H ALA A 156 6.127 -1.600 -5.776 1.00 0.00 H new ATOM 0 HA ALA A 156 5.350 0.593 -7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 156 7.648 0.698 -8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 156 7.558 1.195 -6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 156 8.174 -0.419 -7.166 1.00 0.00 H new ATOM 221 N ARG A 157 6.357 -2.517 -7.953 1.00 0.00 N ATOM 222 CA ARG A 157 6.221 -3.703 -8.782 1.00 0.00 C ATOM 223 C ARG A 157 5.359 -4.749 -8.073 1.00 0.00 C ATOM 224 O ARG A 157 4.708 -5.566 -8.723 1.00 0.00 O ATOM 225 CB ARG A 157 7.588 -4.310 -9.103 1.00 0.00 C ATOM 226 CG ARG A 157 7.441 -5.731 -9.652 1.00 0.00 C ATOM 227 CD ARG A 157 8.788 -6.276 -10.131 1.00 0.00 C ATOM 228 NE ARG A 157 9.586 -6.740 -8.974 1.00 0.00 N ATOM 229 CZ ARG A 157 9.294 -7.838 -8.245 1.00 0.00 C ATOM 230 NH1 ARG A 157 8.218 -8.595 -8.548 1.00 0.00 N ATOM 231 NH2 ARG A 157 10.076 -8.160 -7.231 1.00 0.00 N ATOM 0 H ARG A 157 6.897 -2.654 -7.098 1.00 0.00 H new ATOM 0 HA ARG A 157 5.742 -3.404 -9.714 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.105 -3.686 -9.832 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.203 -4.326 -8.204 1.00 0.00 H new ATOM 0 HG2 ARG A 157 7.035 -6.383 -8.879 1.00 0.00 H new ATOM 0 HG3 ARG A 157 6.729 -5.734 -10.477 1.00 0.00 H new ATOM 0 HD2 ARG A 157 8.630 -7.099 -10.828 1.00 0.00 H new ATOM 0 HD3 ARG A 157 9.332 -5.501 -10.671 1.00 0.00 H new ATOM 0 HE ARG A 157 10.408 -6.196 -8.711 1.00 0.00 H new ATOM 0 HH11 ARG A 157 7.619 -8.339 -9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 157 8.004 -9.423 -7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 157 10.887 -7.582 -7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 157 9.869 -8.986 -6.670 1.00 0.00 H new ATOM 244 N GLN A 158 5.383 -4.691 -6.749 1.00 0.00 N ATOM 245 CA GLN A 158 4.612 -5.624 -5.945 1.00 0.00 C ATOM 246 C GLN A 158 3.121 -5.290 -6.028 1.00 0.00 C ATOM 247 O GLN A 158 2.750 -4.190 -6.435 1.00 0.00 O ATOM 248 CB GLN A 158 5.094 -5.625 -4.493 1.00 0.00 C ATOM 249 CG GLN A 158 6.539 -6.119 -4.395 1.00 0.00 C ATOM 250 CD GLN A 158 7.041 -6.062 -2.951 1.00 0.00 C ATOM 251 OE1 GLN A 158 6.357 -5.614 -2.046 1.00 0.00 O ATOM 252 NE2 GLN A 158 8.272 -6.539 -2.787 1.00 0.00 N ATOM 0 H GLN A 158 5.924 -4.012 -6.213 1.00 0.00 H new ATOM 0 HA GLN A 158 4.762 -6.627 -6.344 1.00 0.00 H new ATOM 0 HB2 GLN A 158 5.021 -4.618 -4.081 1.00 0.00 H new ATOM 0 HB3 GLN A 158 4.446 -6.263 -3.892 1.00 0.00 H new ATOM 0 HG2 GLN A 158 6.603 -7.142 -4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 158 7.180 -5.508 -5.031 1.00 0.00 H new ATOM 0 HE21 GLN A 158 8.790 -6.900 -3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 158 8.698 -6.544 -1.860 1.00 0.00 H new ATOM 261 N LEU A 159 2.308 -6.259 -5.636 1.00 0.00 N ATOM 262 CA LEU A 159 0.866 -6.082 -5.661 1.00 0.00 C ATOM 263 C LEU A 159 0.408 -5.473 -4.334 1.00 0.00 C ATOM 264 O LEU A 159 -0.779 -5.215 -4.142 1.00 0.00 O ATOM 265 CB LEU A 159 0.169 -7.400 -6.006 1.00 0.00 C ATOM 266 CG LEU A 159 -1.346 -7.326 -6.204 1.00 0.00 C ATOM 267 CD1 LEU A 159 -1.736 -7.765 -7.616 1.00 0.00 C ATOM 268 CD2 LEU A 159 -2.079 -8.131 -5.130 1.00 0.00 C ATOM 269 OXT LEU A 159 1.349 -5.268 -3.475 1.00 0.00 O ATOM 0 H LEU A 159 2.620 -7.170 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 159 0.582 -5.383 -6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.616 -7.796 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 159 0.377 -8.117 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 159 -1.655 -6.287 -6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -2.818 -7.703 -7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.256 -7.113 -8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -1.412 -8.793 -7.780 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -3.154 -8.062 -5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -1.770 -9.175 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -1.835 -7.731 -4.146 1.00 0.00 H new TER 282 LEU A 159