USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 138 hydrogens (7 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 16 ARG C :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 16 ARG C :(NH2R) USER MOD NoAdj-H: A 8 DPR H : A 8 DPR N : A 7 PHE C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -156:sc= -0.887! USER MOD Single : A 10 LYS NZ :NH3+ -144:sc= -0.238 (180deg=-1.15!) USER MOD Single : A 14 ASN :FLIP amide:sc= -1.92! C(o=-4.9!,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.274 -0.070 1.251 1.00 0.00 N ATOM 2 CA GLY A 1 10.091 1.329 1.622 1.00 0.00 C ATOM 3 C GLY A 1 8.893 1.936 0.902 1.00 0.00 C ATOM 4 O GLY A 1 7.765 1.465 1.046 1.00 0.00 O ATOM 0 H2 GLY A 1 11.096 -0.458 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.949 1.407 2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.991 1.894 1.377 1.00 0.00 H new ATOM 8 N SER A 2 9.149 2.983 0.128 1.00 0.00 N ATOM 9 CA SER A 2 8.091 3.655 -0.615 1.00 0.00 C ATOM 10 C SER A 2 6.908 3.974 0.293 1.00 0.00 C ATOM 11 O SER A 2 6.908 3.634 1.476 1.00 0.00 O ATOM 12 CB SER A 2 7.629 2.771 -1.770 1.00 0.00 C ATOM 13 OG SER A 2 6.260 3.031 -2.047 1.00 0.00 O ATOM 0 H SER A 2 10.078 3.384 -0.001 1.00 0.00 H new ATOM 0 HA SER A 2 8.488 4.591 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.234 2.966 -2.656 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.766 1.720 -1.515 1.00 0.00 H new ATOM 0 HG SER A 2 5.859 2.248 -2.480 1.00 0.00 H new ATOM 19 N ARG A 3 5.902 4.632 -0.274 1.00 0.00 N ATOM 20 CA ARG A 3 4.715 4.998 0.487 1.00 0.00 C ATOM 21 C ARG A 3 3.572 4.030 0.200 1.00 0.00 C ATOM 22 O ARG A 3 3.463 3.493 -0.903 1.00 0.00 O ATOM 23 CB ARG A 3 4.285 6.421 0.122 1.00 0.00 C ATOM 24 CG ARG A 3 3.353 6.968 1.203 1.00 0.00 C ATOM 25 CD ARG A 3 4.144 7.866 2.154 1.00 0.00 C ATOM 26 NE ARG A 3 5.237 7.115 2.764 1.00 0.00 N ATOM 27 CZ ARG A 3 5.026 6.324 3.810 1.00 0.00 C ATOM 28 NH1 ARG A 3 6.020 5.662 4.338 1.00 0.00 N ATOM 29 NH2 ARG A 3 3.827 6.208 4.311 1.00 0.00 N ATOM 0 H ARG A 3 5.885 4.921 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 3 4.956 4.949 1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.161 7.063 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 3 3.779 6.423 -0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 3 2.540 7.532 0.746 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.899 6.146 1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.541 8.723 1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.485 8.257 2.929 1.00 0.00 H new ATOM 0 HE ARG A 3 6.178 7.199 2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.958 5.752 3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 3 5.859 5.054 5.141 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.050 6.725 3.899 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.667 5.600 5.114 1.00 0.00 H new ATOM 43 N GLY A 4 2.724 3.811 1.199 1.00 0.00 N ATOM 44 CA GLY A 4 1.592 2.905 1.044 1.00 0.00 C ATOM 45 C GLY A 4 0.789 3.241 -0.209 1.00 0.00 C ATOM 46 O GLY A 4 0.977 4.298 -0.811 1.00 0.00 O ATOM 0 H GLY A 4 2.798 4.245 2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.950 1.877 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.948 2.969 1.921 1.00 0.00 H new ATOM 50 N PHE A 5 -0.108 2.336 -0.593 1.00 0.00 N ATOM 51 CA PHE A 5 -0.938 2.546 -1.775 1.00 0.00 C ATOM 52 C PHE A 5 -2.396 2.216 -1.473 1.00 0.00 C ATOM 53 O PHE A 5 -2.710 1.126 -0.992 1.00 0.00 O ATOM 54 CB PHE A 5 -0.442 1.672 -2.927 1.00 0.00 C ATOM 55 CG PHE A 5 0.995 2.014 -3.235 1.00 0.00 C ATOM 56 CD1 PHE A 5 2.021 1.149 -2.838 1.00 0.00 C ATOM 57 CD2 PHE A 5 1.302 3.197 -3.918 1.00 0.00 C ATOM 58 CE1 PHE A 5 3.354 1.467 -3.123 1.00 0.00 C ATOM 59 CE2 PHE A 5 2.635 3.515 -4.204 1.00 0.00 C ATOM 60 CZ PHE A 5 3.661 2.649 -3.806 1.00 0.00 C ATOM 0 H PHE A 5 -0.278 1.456 -0.106 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.867 3.595 -2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.527 0.618 -2.661 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.062 1.829 -3.810 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.784 0.236 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.510 3.864 -4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.146 0.800 -2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.872 4.427 -4.731 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.690 2.894 -4.026 1.00 0.00 H new ATOM 70 N ARG A 6 -3.278 3.167 -1.758 1.00 0.00 N ATOM 71 CA ARG A 6 -4.698 2.985 -1.517 1.00 0.00 C ATOM 72 C ARG A 6 -5.272 1.904 -2.430 1.00 0.00 C ATOM 73 O ARG A 6 -5.672 2.181 -3.561 1.00 0.00 O ATOM 74 CB ARG A 6 -5.429 4.307 -1.750 1.00 0.00 C ATOM 75 CG ARG A 6 -4.961 4.951 -3.060 1.00 0.00 C ATOM 76 CD ARG A 6 -6.164 5.565 -3.779 1.00 0.00 C ATOM 77 NE ARG A 6 -5.717 6.443 -4.854 1.00 0.00 N ATOM 78 CZ ARG A 6 -5.270 5.950 -6.005 1.00 0.00 C ATOM 79 NH1 ARG A 6 -4.879 6.757 -6.954 1.00 0.00 N ATOM 80 NH2 ARG A 6 -5.224 4.658 -6.186 1.00 0.00 N ATOM 0 H ARG A 6 -3.031 4.073 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.838 2.667 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.505 4.134 -1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.243 4.985 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.215 5.718 -2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.485 4.205 -3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.796 4.775 -4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.772 6.127 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.748 7.454 -4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.916 7.766 -6.813 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.536 6.378 -7.837 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.531 4.028 -5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.881 4.279 -7.069 1.00 0.00 H new ATOM 94 N PHE A 7 -5.312 0.673 -1.926 1.00 0.00 N ATOM 95 CA PHE A 7 -5.838 -0.447 -2.691 1.00 0.00 C ATOM 96 C PHE A 7 -7.089 -1.008 -2.006 1.00 0.00 C ATOM 97 O PHE A 7 -7.002 -1.932 -1.194 1.00 0.00 O ATOM 98 CB PHE A 7 -4.762 -1.533 -2.791 1.00 0.00 C ATOM 99 CG PHE A 7 -4.281 -1.637 -4.218 1.00 0.00 C ATOM 100 CD1 PHE A 7 -5.002 -2.395 -5.148 1.00 0.00 C ATOM 101 CD2 PHE A 7 -3.111 -0.975 -4.610 1.00 0.00 C ATOM 102 CE1 PHE A 7 -4.554 -2.492 -6.470 1.00 0.00 C ATOM 103 CE2 PHE A 7 -2.662 -1.072 -5.933 1.00 0.00 C ATOM 104 CZ PHE A 7 -3.384 -1.830 -6.862 1.00 0.00 C ATOM 0 H PHE A 7 -4.986 0.429 -0.991 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.111 -0.111 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.928 -1.295 -2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.165 -2.491 -2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.904 -2.905 -4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.555 -0.390 -3.892 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.110 -3.077 -7.188 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.759 -0.562 -6.236 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.038 -1.904 -7.882 1.00 0.00 H new HETATM 114 N DPR A 8 -8.248 -0.465 -2.293 1.00 0.00 N HETATM 115 CA DPR A 8 -9.513 -0.936 -1.668 1.00 0.00 C HETATM 116 CB DPR A 8 -10.610 -0.197 -2.439 1.00 0.00 C HETATM 117 CG DPR A 8 -9.949 1.015 -3.005 1.00 0.00 C HETATM 118 CD DPR A 8 -8.481 0.648 -3.228 1.00 0.00 C HETATM 119 C DPR A 8 -9.552 -0.582 -0.181 1.00 0.00 C HETATM 120 O DPR A 8 -8.885 0.361 0.247 1.00 0.00 O HETATM 0 HG3 DPR A 8 -10.421 1.312 -3.942 1.00 0.00 H new HETATM 0 HG2 DPR A 8 -10.038 1.860 -2.322 1.00 0.00 H new HETATM 0 HD3 DPR A 8 -7.822 1.491 -3.018 1.00 0.00 H new HETATM 0 HD2 DPR A 8 -8.296 0.348 -4.260 1.00 0.00 H new HETATM 0 HB3 DPR A 8 -11.025 -0.823 -3.229 1.00 0.00 H new HETATM 0 HB2 DPR A 8 -11.436 0.076 -1.782 1.00 0.00 H new HETATM 0 HA DPR A 8 -9.627 -2.019 -1.719 1.00 0.00 H new ATOM 128 N PRO A 9 -10.298 -1.305 0.618 1.00 0.00 N ATOM 129 CA PRO A 9 -10.379 -1.027 2.074 1.00 0.00 C ATOM 130 C PRO A 9 -9.132 -1.514 2.804 1.00 0.00 C ATOM 131 O PRO A 9 -9.134 -1.675 4.024 1.00 0.00 O ATOM 132 CB PRO A 9 -11.625 -1.788 2.525 1.00 0.00 C ATOM 133 CG PRO A 9 -11.814 -2.888 1.533 1.00 0.00 C ATOM 134 CD PRO A 9 -11.137 -2.453 0.230 1.00 0.00 C ATOM 0 HA PRO A 9 -10.439 0.039 2.294 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.496 -2.187 3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.495 -1.132 2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.377 -3.816 1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.875 -3.079 1.369 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.537 -3.258 -0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.871 -2.171 -0.525 1.00 0.00 H new ATOM 142 N LYS A 10 -8.064 -1.741 2.040 1.00 0.00 N ATOM 143 CA LYS A 10 -6.802 -2.204 2.608 1.00 0.00 C ATOM 144 C LYS A 10 -5.649 -1.342 2.101 1.00 0.00 C ATOM 145 O LYS A 10 -5.629 -0.940 0.937 1.00 0.00 O ATOM 146 CB LYS A 10 -6.543 -3.668 2.220 1.00 0.00 C ATOM 147 CG LYS A 10 -7.709 -4.565 2.665 1.00 0.00 C ATOM 148 CD LYS A 10 -7.557 -4.938 4.145 1.00 0.00 C ATOM 149 CE LYS A 10 -6.986 -6.352 4.259 1.00 0.00 C ATOM 150 NZ LYS A 10 -7.933 -7.322 3.639 1.00 0.00 N ATOM 0 H LYS A 10 -8.049 -1.612 1.028 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.868 -2.125 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.410 -3.745 1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.617 -4.013 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.655 -4.048 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.735 -5.468 2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.899 -4.227 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.524 -4.883 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.017 -6.406 3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.822 -6.606 5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.926 -8.209 4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.893 -6.921 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.642 -7.513 2.659 1.00 0.00 H new ATOM 164 N ILE A 11 -4.691 -1.066 2.983 1.00 0.00 N ATOM 165 CA ILE A 11 -3.533 -0.255 2.618 1.00 0.00 C ATOM 166 C ILE A 11 -2.275 -1.118 2.587 1.00 0.00 C ATOM 167 O ILE A 11 -1.940 -1.773 3.574 1.00 0.00 O ATOM 168 CB ILE A 11 -3.357 0.884 3.629 1.00 0.00 C ATOM 169 CG1 ILE A 11 -4.269 2.055 3.240 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.897 1.345 3.646 1.00 0.00 C ATOM 171 CD1 ILE A 11 -3.547 2.981 2.253 1.00 0.00 C ATOM 0 H ILE A 11 -4.694 -1.390 3.950 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.696 0.167 1.626 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.627 0.530 4.624 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.187 1.677 2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.556 2.614 4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.779 2.154 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.255 0.511 3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.615 1.699 2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.203 3.808 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.642 3.372 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.282 2.421 1.356 1.00 0.00 H new ATOM 183 N ILE A 12 -1.586 -1.119 1.449 1.00 0.00 N ATOM 184 CA ILE A 12 -0.370 -1.914 1.307 1.00 0.00 C ATOM 185 C ILE A 12 0.725 -1.121 0.606 1.00 0.00 C ATOM 186 O ILE A 12 0.451 -0.181 -0.140 1.00 0.00 O ATOM 187 CB ILE A 12 -0.660 -3.181 0.504 1.00 0.00 C ATOM 188 CG1 ILE A 12 -2.154 -3.506 0.580 1.00 0.00 C ATOM 189 CG2 ILE A 12 0.146 -4.346 1.079 1.00 0.00 C ATOM 190 CD1 ILE A 12 -2.417 -4.857 -0.087 1.00 0.00 C ATOM 0 H ILE A 12 -1.845 -0.584 0.620 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.028 -2.180 2.307 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.377 -3.022 -0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.479 -3.533 1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.732 -2.726 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.061 -5.250 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.210 -4.116 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.135 -4.504 2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.481 -5.089 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.108 -4.814 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.850 -5.633 0.427 1.00 0.00 H new ATOM 202 N PHE A 13 1.969 -1.515 0.853 1.00 0.00 N ATOM 203 CA PHE A 13 3.111 -0.855 0.254 1.00 0.00 C ATOM 204 C PHE A 13 3.748 -1.753 -0.800 1.00 0.00 C ATOM 205 O PHE A 13 3.383 -2.922 -0.936 1.00 0.00 O ATOM 206 CB PHE A 13 4.130 -0.548 1.344 1.00 0.00 C ATOM 207 CG PHE A 13 3.887 -1.451 2.529 1.00 0.00 C ATOM 208 CD1 PHE A 13 3.189 -0.972 3.644 1.00 0.00 C ATOM 209 CD2 PHE A 13 4.360 -2.769 2.512 1.00 0.00 C ATOM 210 CE1 PHE A 13 2.965 -1.810 4.742 1.00 0.00 C ATOM 211 CE2 PHE A 13 4.135 -3.607 3.611 1.00 0.00 C ATOM 212 CZ PHE A 13 3.437 -3.128 4.725 1.00 0.00 C ATOM 0 H PHE A 13 2.208 -2.293 1.468 1.00 0.00 H new ATOM 0 HA PHE A 13 2.784 0.068 -0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.141 -0.694 0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.051 0.496 1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.823 0.044 3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.898 -3.139 1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.428 -1.440 5.603 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.500 -4.623 3.599 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.262 -3.775 5.572 1.00 0.00 H new ATOM 222 N ASN A 14 4.703 -1.205 -1.542 1.00 0.00 N ATOM 223 CA ASN A 14 5.381 -1.978 -2.575 1.00 0.00 C ATOM 224 C ASN A 14 6.034 -3.214 -1.968 1.00 0.00 C ATOM 225 O ASN A 14 5.370 -4.220 -1.717 1.00 0.00 O ATOM 226 CB ASN A 14 6.450 -1.123 -3.258 1.00 0.00 C ATOM 227 CG ASN A 14 7.236 -1.972 -4.251 1.00 0.00 C ATOM 228 OD1 ASN A 14 6.827 -3.181 -4.525 1.00 0.00 O flip ATOM 229 ND2 ASN A 14 8.247 -1.523 -4.791 1.00 0.00 N flip ATOM 0 H ASN A 14 5.022 -0.241 -1.450 1.00 0.00 H new ATOM 0 HA ASN A 14 4.641 -2.289 -3.313 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.983 -0.284 -3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.124 -0.703 -2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.564 -0.578 -4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.768 -2.096 -5.455 1.00 0.00 H new ATOM 236 N GLU A 15 7.338 -3.128 -1.733 1.00 0.00 N ATOM 237 CA GLU A 15 8.075 -4.243 -1.153 1.00 0.00 C ATOM 238 C GLU A 15 9.425 -3.773 -0.622 1.00 0.00 C ATOM 239 O GLU A 15 10.239 -4.578 -0.169 1.00 0.00 O ATOM 240 CB GLU A 15 8.288 -5.330 -2.206 1.00 0.00 C ATOM 241 CG GLU A 15 8.456 -6.685 -1.516 1.00 0.00 C ATOM 242 CD GLU A 15 9.333 -7.598 -2.367 1.00 0.00 C ATOM 243 OE1 GLU A 15 10.021 -8.427 -1.795 1.00 0.00 O ATOM 244 OE2 GLU A 15 9.303 -7.455 -3.578 1.00 0.00 O ATOM 0 H GLU A 15 7.903 -2.303 -1.934 1.00 0.00 H new ATOM 0 HA GLU A 15 7.494 -4.649 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.439 -5.361 -2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.170 -5.103 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.906 -6.548 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.481 -7.146 -1.359 1.00 0.00 H new ATOM 251 N ARG A 16 9.656 -2.467 -0.684 1.00 0.00 N ATOM 252 CA ARG A 16 10.912 -1.900 -0.209 1.00 0.00 C ATOM 253 C ARG A 16 10.762 -0.406 0.061 1.00 0.00 C ATOM 254 O ARG A 16 11.084 0.423 -0.790 1.00 0.00 O ATOM 255 CB ARG A 16 12.005 -2.124 -1.255 1.00 0.00 C ATOM 256 CG ARG A 16 13.382 -1.968 -0.605 1.00 0.00 C ATOM 257 CD ARG A 16 14.470 -2.280 -1.634 1.00 0.00 C ATOM 258 NE ARG A 16 15.271 -3.427 -1.191 1.00 0.00 N ATOM 259 CZ ARG A 16 16.222 -3.936 -1.968 1.00 0.00 C ATOM 260 NH1 ARG A 16 16.923 -4.956 -1.555 1.00 0.00 N ATOM 261 NH2 ARG A 16 16.455 -3.415 -3.141 1.00 0.00 N ATOM 0 H ARG A 16 8.995 -1.785 -1.056 1.00 0.00 H new ATOM 0 HA ARG A 16 11.186 -2.396 0.722 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.908 -3.119 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.894 -1.409 -2.070 1.00 0.00 H new ATOM 0 HG2 ARG A 16 13.505 -0.953 -0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 16 13.471 -2.639 0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 16 14.015 -2.496 -2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 16 15.112 -1.410 -1.771 1.00 0.00 H new ATOM 0 HE ARG A 16 15.096 -3.839 -0.275 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.741 -5.362 -0.637 1.00 0.00 H new ATOM 0 HH12 ARG A 16 17.653 -5.348 -2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.907 -2.617 -3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 16 17.185 -3.806 -3.737 1.00 0.00 H new TER 275 ARG A 16