USER MOD reduce.3.24.130724 H: found=0, std=0, add=146, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 146 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 9 ASP CG :(NH2R) USER MOD NoAdj-H: A 1 GLY H2 : A 1 GLY N : A 9 ASP CG :(NH2R) USER MOD Single : A 1 GLY N :NH3+ -177:sc= -0.306 (180deg=-0.33) USER MOD Single : A 3 THR OG1 : rot -84:sc= 1.27 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 103:sc= 0.44 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.486 22.154 18.542 1.00 0.00 N ATOM 2 CA GLY A 1 20.003 21.893 17.214 1.00 0.00 C ATOM 3 C GLY A 1 19.046 21.173 16.274 1.00 0.00 C ATOM 4 O GLY A 1 17.905 20.882 16.626 1.00 0.00 O ATOM 0 H3 GLY A 1 20.189 22.691 19.089 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.287 22.842 16.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.912 21.299 17.306 1.00 0.00 H new ATOM 8 N LEU A 2 19.506 20.908 15.049 1.00 0.00 N ATOM 9 CA LEU A 2 18.682 20.454 13.946 1.00 0.00 C ATOM 10 C LEU A 2 18.614 18.934 13.929 1.00 0.00 C ATOM 11 O LEU A 2 18.890 18.322 12.899 1.00 0.00 O ATOM 12 CB LEU A 2 19.130 21.163 12.671 1.00 0.00 C ATOM 13 CG LEU A 2 18.263 22.341 12.237 1.00 0.00 C ATOM 14 CD1 LEU A 2 16.887 21.885 11.759 1.00 0.00 C ATOM 15 CD2 LEU A 2 18.101 23.416 13.308 1.00 0.00 C ATOM 0 H LEU A 2 20.490 21.009 14.799 1.00 0.00 H new ATOM 0 HA LEU A 2 17.635 20.737 14.056 1.00 0.00 H new ATOM 0 HB2 LEU A 2 20.151 21.518 12.813 1.00 0.00 H new ATOM 0 HB3 LEU A 2 19.155 20.435 11.860 1.00 0.00 H new ATOM 0 HG LEU A 2 18.805 22.793 11.406 1.00 0.00 H new ATOM 0 HD11 LEU A 2 16.300 22.753 11.459 1.00 0.00 H new ATOM 0 HD12 LEU A 2 17.002 21.213 10.909 1.00 0.00 H new ATOM 0 HD13 LEU A 2 16.375 21.363 12.568 1.00 0.00 H new ATOM 0 HD21 LEU A 2 17.472 24.220 12.925 1.00 0.00 H new ATOM 0 HD22 LEU A 2 17.635 22.981 14.192 1.00 0.00 H new ATOM 0 HD23 LEU A 2 19.080 23.816 13.573 1.00 0.00 H new ATOM 27 N THR A 3 18.173 18.344 15.042 1.00 0.00 N ATOM 28 CA THR A 3 17.856 16.941 15.221 1.00 0.00 C ATOM 29 C THR A 3 16.433 16.774 15.737 1.00 0.00 C ATOM 30 O THR A 3 15.692 17.736 15.932 1.00 0.00 O ATOM 31 CB THR A 3 18.885 16.239 16.103 1.00 0.00 C ATOM 32 OG1 THR A 3 18.759 16.654 17.444 1.00 0.00 O ATOM 33 CG2 THR A 3 20.316 16.421 15.607 1.00 0.00 C ATOM 0 H THR A 3 18.020 18.879 15.897 1.00 0.00 H new ATOM 0 HA THR A 3 17.907 16.452 14.248 1.00 0.00 H new ATOM 0 HB THR A 3 18.672 15.172 16.044 1.00 0.00 H new ATOM 0 HG1 THR A 3 19.258 17.487 17.577 1.00 0.00 H new ATOM 0 HG21 THR A 3 21.002 15.899 16.275 1.00 0.00 H new ATOM 0 HG22 THR A 3 20.407 16.011 14.601 1.00 0.00 H new ATOM 0 HG23 THR A 3 20.563 17.483 15.590 1.00 0.00 H new ATOM 41 N GLN A 4 16.034 15.529 16.006 1.00 0.00 N ATOM 42 CA GLN A 4 14.799 15.139 16.656 1.00 0.00 C ATOM 43 C GLN A 4 15.007 14.322 17.923 1.00 0.00 C ATOM 44 O GLN A 4 14.075 13.721 18.452 1.00 0.00 O ATOM 45 CB GLN A 4 13.867 14.430 15.677 1.00 0.00 C ATOM 46 CG GLN A 4 13.228 15.370 14.660 1.00 0.00 C ATOM 47 CD GLN A 4 12.405 14.634 13.612 1.00 0.00 C ATOM 48 OE1 GLN A 4 11.345 14.068 13.874 1.00 0.00 O ATOM 49 NE2 GLN A 4 12.888 14.578 12.368 1.00 0.00 N ATOM 0 H GLN A 4 16.606 14.722 15.757 1.00 0.00 H new ATOM 0 HA GLN A 4 14.321 16.063 16.981 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.427 13.660 15.147 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.081 13.924 16.237 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.590 16.083 15.182 1.00 0.00 H new ATOM 0 HG3 GLN A 4 14.009 15.946 14.163 1.00 0.00 H new ATOM 0 HE21 GLN A 4 13.766 15.044 12.140 1.00 0.00 H new ATOM 0 HE22 GLN A 4 12.379 14.069 11.646 1.00 0.00 H new ATOM 58 N ILE A 5 16.234 14.290 18.447 1.00 0.00 N ATOM 59 CA ILE A 5 16.682 13.537 19.602 1.00 0.00 C ATOM 60 C ILE A 5 16.975 14.484 20.757 1.00 0.00 C ATOM 61 O ILE A 5 17.515 15.573 20.577 1.00 0.00 O ATOM 62 CB ILE A 5 17.829 12.605 19.222 1.00 0.00 C ATOM 63 CG1 ILE A 5 17.948 11.286 19.982 1.00 0.00 C ATOM 64 CG2 ILE A 5 19.179 13.309 19.316 1.00 0.00 C ATOM 65 CD1 ILE A 5 16.811 10.304 19.720 1.00 0.00 C ATOM 0 H ILE A 5 16.993 14.835 18.037 1.00 0.00 H new ATOM 0 HA ILE A 5 15.892 12.877 19.959 1.00 0.00 H new ATOM 0 HB ILE A 5 17.562 12.341 18.199 1.00 0.00 H new ATOM 0 HG12 ILE A 5 18.892 10.810 19.715 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.990 11.499 21.050 1.00 0.00 H new ATOM 0 HG21 ILE A 5 19.972 12.614 19.038 1.00 0.00 H new ATOM 0 HG22 ILE A 5 19.192 14.163 18.639 1.00 0.00 H new ATOM 0 HG23 ILE A 5 19.340 13.653 20.338 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.975 9.395 20.299 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.864 10.756 20.015 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.780 10.058 18.659 1.00 0.00 H new ATOM 77 N GLN A 6 16.525 14.092 21.951 1.00 0.00 N ATOM 78 CA GLN A 6 16.296 14.989 23.066 1.00 0.00 C ATOM 79 C GLN A 6 17.585 15.369 23.781 1.00 0.00 C ATOM 80 O GLN A 6 18.080 14.623 24.622 1.00 0.00 O ATOM 81 CB GLN A 6 15.335 14.417 24.105 1.00 0.00 C ATOM 82 CG GLN A 6 13.921 14.113 23.616 1.00 0.00 C ATOM 83 CD GLN A 6 12.976 13.819 24.773 1.00 0.00 C ATOM 84 OE1 GLN A 6 12.409 14.761 25.321 1.00 0.00 O ATOM 85 NE2 GLN A 6 12.771 12.569 25.195 1.00 0.00 N ATOM 0 H GLN A 6 16.307 13.119 22.166 1.00 0.00 H new ATOM 0 HA GLN A 6 15.850 15.874 22.613 1.00 0.00 H new ATOM 0 HB2 GLN A 6 15.766 13.498 24.502 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.267 15.121 24.934 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.544 14.961 23.044 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.946 13.258 22.940 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.245 11.791 24.736 1.00 0.00 H new ATOM 0 HE22 GLN A 6 12.140 12.392 25.977 1.00 0.00 H new ATOM 94 N ALA A 7 18.145 16.537 23.453 1.00 0.00 N ATOM 95 CA ALA A 7 19.185 17.230 24.186 1.00 0.00 C ATOM 96 C ALA A 7 19.052 18.740 24.062 1.00 0.00 C ATOM 97 O ALA A 7 18.244 19.206 23.263 1.00 0.00 O ATOM 98 CB ALA A 7 20.556 16.705 23.770 1.00 0.00 C ATOM 0 H ALA A 7 17.861 17.047 22.617 1.00 0.00 H new ATOM 0 HA ALA A 7 19.070 17.019 25.249 1.00 0.00 H new ATOM 0 HB1 ALA A 7 21.331 17.232 24.326 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.617 15.638 23.984 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.700 16.870 22.702 1.00 0.00 H new ATOM 104 N LEU A 8 19.792 19.561 24.811 1.00 0.00 N ATOM 105 CA LEU A 8 19.698 21.007 24.776 1.00 0.00 C ATOM 106 C LEU A 8 20.481 21.561 23.594 1.00 0.00 C ATOM 107 O LEU A 8 21.658 21.263 23.406 1.00 0.00 O ATOM 108 CB LEU A 8 20.260 21.525 26.096 1.00 0.00 C ATOM 109 CG LEU A 8 19.376 22.599 26.724 1.00 0.00 C ATOM 110 CD1 LEU A 8 19.992 23.099 28.028 1.00 0.00 C ATOM 111 CD2 LEU A 8 19.162 23.839 25.860 1.00 0.00 C ATOM 0 H LEU A 8 20.489 19.221 25.473 1.00 0.00 H new ATOM 0 HA LEU A 8 18.664 21.328 24.653 1.00 0.00 H new ATOM 0 HB2 LEU A 8 20.368 20.694 26.793 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.257 21.932 25.928 1.00 0.00 H new ATOM 0 HG LEU A 8 18.416 22.102 26.864 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.350 23.864 28.464 1.00 0.00 H new ATOM 0 HD12 LEU A 8 20.091 22.268 28.726 1.00 0.00 H new ATOM 0 HD13 LEU A 8 20.976 23.522 27.827 1.00 0.00 H new ATOM 0 HD21 LEU A 8 18.522 24.545 26.389 1.00 0.00 H new ATOM 0 HD22 LEU A 8 20.124 24.307 25.651 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.687 23.551 24.922 1.00 0.00 H new ATOM 123 N ASP A 9 19.803 22.350 22.758 1.00 0.00 N ATOM 124 CA ASP A 9 20.303 22.888 21.509 1.00 0.00 C ATOM 125 C ASP A 9 21.260 24.060 21.673 1.00 0.00 C ATOM 126 O ASP A 9 21.140 24.825 22.628 1.00 0.00 O ATOM 127 CB ASP A 9 19.084 23.271 20.674 1.00 0.00 C ATOM 128 CG ASP A 9 19.412 23.319 19.188 1.00 0.00 C ATOM 129 OD1 ASP A 9 19.899 24.351 18.680 1.00 0.00 O ATOM 0 H ASP A 9 18.844 22.640 22.951 1.00 0.00 H new ATOM 0 HA ASP A 9 20.906 22.127 21.014 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.284 22.551 20.847 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.713 24.244 20.996 1.00 0.00 H new ATOM 134 N SER A 10 22.143 24.319 20.705 1.00 0.00 N ATOM 135 CA SER A 10 22.915 25.543 20.635 1.00 0.00 C ATOM 136 C SER A 10 22.089 26.814 20.509 1.00 0.00 C ATOM 137 O SER A 10 22.204 27.716 21.337 1.00 0.00 O ATOM 138 CB SER A 10 23.864 25.497 19.441 1.00 0.00 C ATOM 139 OG SER A 10 24.751 24.409 19.576 1.00 0.00 O ATOM 0 H SER A 10 22.338 23.670 19.942 1.00 0.00 H new ATOM 0 HA SER A 10 23.444 25.589 21.587 1.00 0.00 H new ATOM 0 HB2 SER A 10 23.295 25.401 18.516 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.425 26.429 19.375 1.00 0.00 H new ATOM 0 HG SER A 10 24.465 23.679 18.989 1.00 0.00 H new ATOM 145 N VAL A 11 21.228 26.867 19.490 1.00 0.00 N ATOM 146 CA VAL A 11 20.440 28.032 19.140 1.00 0.00 C ATOM 147 C VAL A 11 19.095 28.037 19.851 1.00 0.00 C ATOM 148 O VAL A 11 18.797 28.875 20.699 1.00 0.00 O ATOM 149 CB VAL A 11 20.249 28.140 17.630 1.00 0.00 C ATOM 150 CG1 VAL A 11 19.699 29.508 17.235 1.00 0.00 C ATOM 151 CG2 VAL A 11 21.580 27.919 16.917 1.00 0.00 C ATOM 0 H VAL A 11 21.061 26.072 18.873 1.00 0.00 H new ATOM 0 HA VAL A 11 20.998 28.906 19.476 1.00 0.00 H new ATOM 0 HB VAL A 11 19.532 27.374 17.333 1.00 0.00 H new ATOM 0 HG11 VAL A 11 19.575 29.552 16.153 1.00 0.00 H new ATOM 0 HG12 VAL A 11 18.734 29.666 17.718 1.00 0.00 H new ATOM 0 HG13 VAL A 11 20.395 30.285 17.552 1.00 0.00 H new ATOM 0 HG21 VAL A 11 21.433 27.998 15.840 1.00 0.00 H new ATOM 0 HG22 VAL A 11 22.296 28.673 17.242 1.00 0.00 H new ATOM 0 HG23 VAL A 11 21.962 26.927 17.159 1.00 0.00 H new ATOM 161 N SER A 12 18.253 27.057 19.514 1.00 0.00 N ATOM 162 CA SER A 12 16.840 27.056 19.835 1.00 0.00 C ATOM 163 C SER A 12 16.221 25.668 19.776 1.00 0.00 C ATOM 164 O SER A 12 16.763 24.758 19.151 1.00 0.00 O ATOM 165 CB SER A 12 16.136 27.976 18.841 1.00 0.00 C ATOM 166 OG SER A 12 16.348 27.506 17.528 1.00 0.00 O ATOM 0 H SER A 12 18.550 26.228 18.999 1.00 0.00 H new ATOM 0 HA SER A 12 16.720 27.404 20.861 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.068 28.012 19.057 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.516 28.993 18.940 1.00 0.00 H new ATOM 0 HG SER A 12 15.894 28.097 16.892 1.00 0.00 H new ATOM 172 N GLY A 13 15.069 25.538 20.439 1.00 0.00 N ATOM 173 CA GLY A 13 14.485 24.238 20.702 1.00 0.00 C ATOM 174 C GLY A 13 15.251 23.441 21.749 1.00 0.00 C ATOM 175 O GLY A 13 16.182 23.942 22.377 1.00 0.00 O ATOM 0 H GLY A 13 14.528 26.324 20.800 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.456 24.369 21.035 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.449 23.668 19.774 1.00 0.00 H new ATOM 179 N GLN A 14 14.837 22.191 21.963 1.00 0.00 N ATOM 180 CA GLN A 14 15.406 21.222 22.878 1.00 0.00 C ATOM 181 C GLN A 14 15.556 19.853 22.230 1.00 0.00 C ATOM 182 O GLN A 14 15.315 18.806 22.828 1.00 0.00 O ATOM 183 CB GLN A 14 14.619 21.247 24.185 1.00 0.00 C ATOM 184 CG GLN A 14 13.117 21.007 24.051 1.00 0.00 C ATOM 185 CD GLN A 14 12.416 21.002 25.402 1.00 0.00 C ATOM 186 OE1 GLN A 14 12.117 22.060 25.949 1.00 0.00 O ATOM 187 NE2 GLN A 14 12.161 19.841 26.011 1.00 0.00 N ATOM 0 H GLN A 14 14.036 21.810 21.460 1.00 0.00 H new ATOM 0 HA GLN A 14 16.431 21.493 23.132 1.00 0.00 H new ATOM 0 HB2 GLN A 14 15.032 20.491 24.852 1.00 0.00 H new ATOM 0 HB3 GLN A 14 14.774 22.214 24.664 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.681 21.781 23.420 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.946 20.054 23.550 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.409 18.962 25.557 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.718 19.834 26.930 1.00 0.00 H new ATOM 196 N PHE A 15 16.070 19.868 20.998 1.00 0.00 N ATOM 197 CA PHE A 15 16.711 18.714 20.398 1.00 0.00 C ATOM 198 C PHE A 15 18.202 18.981 20.250 1.00 0.00 C ATOM 199 O PHE A 15 18.650 20.124 20.247 1.00 0.00 O ATOM 200 CB PHE A 15 16.074 18.405 19.045 1.00 0.00 C ATOM 201 CG PHE A 15 14.641 17.936 19.109 1.00 0.00 C ATOM 202 CD1 PHE A 15 14.228 16.939 20.002 1.00 0.00 C ATOM 203 CD2 PHE A 15 13.726 18.423 18.169 1.00 0.00 C ATOM 204 CE1 PHE A 15 12.926 16.431 19.929 1.00 0.00 C ATOM 205 CE2 PHE A 15 12.434 17.893 18.068 1.00 0.00 C ATOM 206 CZ PHE A 15 12.028 16.891 18.958 1.00 0.00 C ATOM 0 H PHE A 15 16.049 20.689 20.392 1.00 0.00 H new ATOM 0 HA PHE A 15 16.575 17.845 21.042 1.00 0.00 H new ATOM 0 HB2 PHE A 15 16.121 19.300 18.425 1.00 0.00 H new ATOM 0 HB3 PHE A 15 16.669 17.640 18.546 1.00 0.00 H new ATOM 0 HD1 PHE A 15 14.914 16.563 20.746 1.00 0.00 H new ATOM 0 HD2 PHE A 15 14.022 19.224 17.508 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.610 15.674 20.631 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.756 18.254 17.309 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.032 16.477 18.896 1.00 0.00 H new ATOM 216 N ARG A 16 18.995 17.908 20.184 1.00 0.00 N ATOM 217 CA ARG A 16 20.442 17.908 20.097 1.00 0.00 C ATOM 218 C ARG A 16 20.968 18.619 18.860 1.00 0.00 C ATOM 219 O ARG A 16 20.304 18.737 17.831 1.00 0.00 O ATOM 220 CB ARG A 16 20.885 16.450 20.170 1.00 0.00 C ATOM 221 CG ARG A 16 22.362 16.274 20.511 1.00 0.00 C ATOM 222 CD ARG A 16 22.615 14.811 20.864 1.00 0.00 C ATOM 223 NE ARG A 16 23.971 14.605 21.375 1.00 0.00 N ATOM 224 CZ ARG A 16 24.408 13.614 22.164 1.00 0.00 C ATOM 225 NH1 ARG A 16 23.674 12.537 22.473 1.00 0.00 N1+ ATOM 226 NH2 ARG A 16 25.650 13.613 22.665 1.00 0.00 N ATOM 0 H ARG A 16 18.612 16.963 20.191 1.00 0.00 H new ATOM 0 HA ARG A 16 20.866 18.479 20.923 1.00 0.00 H new ATOM 0 HB2 ARG A 16 20.284 15.934 20.919 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.682 15.970 19.213 1.00 0.00 H new ATOM 0 HG2 ARG A 16 22.982 16.571 19.665 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.635 16.917 21.348 1.00 0.00 H new ATOM 0 HD2 ARG A 16 21.891 14.486 21.611 1.00 0.00 H new ATOM 0 HD3 ARG A 16 22.461 14.191 19.981 1.00 0.00 H new ATOM 0 HE ARG A 16 24.666 15.298 21.098 1.00 0.00 H new ATOM 0 HH11 ARG A 16 22.729 12.440 22.102 1.00 0.00 H new ATOM 0 HH12 ARG A 16 24.060 11.814 23.079 1.00 0.00 H new ATOM 0 HH21 ARG A 16 26.288 14.379 22.448 1.00 0.00 H new ATOM 0 HH22 ARG A 16 25.958 12.846 23.263 1.00 0.00 H new ATOM 240 N ASP A 17 22.220 19.076 18.935 1.00 0.00 N ATOM 241 CA ASP A 17 23.053 19.545 17.845 1.00 0.00 C ATOM 242 C ASP A 17 23.399 18.400 16.905 1.00 0.00 C ATOM 243 O ASP A 17 23.673 17.291 17.360 1.00 0.00 O ATOM 244 CB ASP A 17 24.315 20.232 18.358 1.00 0.00 C ATOM 245 CG ASP A 17 23.983 21.399 19.278 1.00 0.00 C ATOM 246 OD1 ASP A 17 23.280 22.348 18.872 1.00 0.00 O ATOM 247 OD2 ASP A 17 24.519 21.462 20.406 1.00 0.00 O1- ATOM 0 H ASP A 17 22.707 19.128 19.830 1.00 0.00 H new ATOM 0 HA ASP A 17 22.483 20.288 17.287 1.00 0.00 H new ATOM 0 HB2 ASP A 17 24.931 19.510 18.893 1.00 0.00 H new ATOM 0 HB3 ASP A 17 24.904 20.590 17.514 1.00 0.00 H new ATOM 252 N GLN A 18 23.415 18.686 15.601 1.00 0.00 N ATOM 253 CA GLN A 18 23.671 17.697 14.574 1.00 0.00 C ATOM 254 C GLN A 18 25.035 17.030 14.685 1.00 0.00 C ATOM 255 O GLN A 18 25.140 15.843 14.379 1.00 0.00 O ATOM 256 CB GLN A 18 23.536 18.363 13.208 1.00 0.00 C ATOM 257 CG GLN A 18 22.092 18.660 12.812 1.00 0.00 C ATOM 258 CD GLN A 18 22.035 19.248 11.409 1.00 0.00 C ATOM 259 OE1 GLN A 18 22.159 20.452 11.195 1.00 0.00 O ATOM 260 NE2 GLN A 18 21.847 18.477 10.334 1.00 0.00 N ATOM 0 H GLN A 18 23.248 19.623 15.234 1.00 0.00 H new ATOM 0 HA GLN A 18 22.936 16.903 14.706 1.00 0.00 H new ATOM 0 HB2 GLN A 18 24.102 19.294 13.210 1.00 0.00 H new ATOM 0 HB3 GLN A 18 23.986 17.718 12.453 1.00 0.00 H new ATOM 0 HG2 GLN A 18 21.502 17.745 12.854 1.00 0.00 H new ATOM 0 HG3 GLN A 18 21.650 19.357 13.523 1.00 0.00 H new ATOM 0 HE21 GLN A 18 21.737 17.469 10.442 1.00 0.00 H new ATOM 0 HE22 GLN A 18 21.814 18.897 9.405 1.00 0.00 H new ATOM 269 N LEU A 19 26.093 17.748 15.069 1.00 0.00 N ATOM 270 CA LEU A 19 27.393 17.155 15.304 1.00 0.00 C ATOM 271 C LEU A 19 27.380 16.116 16.416 1.00 0.00 C ATOM 272 O LEU A 19 27.242 16.456 17.589 1.00 0.00 O ATOM 273 CB LEU A 19 28.451 18.236 15.513 1.00 0.00 C ATOM 274 CG LEU A 19 29.893 17.749 15.413 1.00 0.00 C ATOM 275 CD1 LEU A 19 30.837 18.937 15.252 1.00 0.00 C ATOM 276 CD2 LEU A 19 30.423 16.903 16.567 1.00 0.00 C ATOM 0 H LEU A 19 26.063 18.756 15.223 1.00 0.00 H new ATOM 0 HA LEU A 19 27.665 16.601 14.405 1.00 0.00 H new ATOM 0 HB2 LEU A 19 28.296 19.023 14.775 1.00 0.00 H new ATOM 0 HB3 LEU A 19 28.302 18.686 16.495 1.00 0.00 H new ATOM 0 HG LEU A 19 29.868 17.090 14.545 1.00 0.00 H new ATOM 0 HD11 LEU A 19 31.864 18.579 15.182 1.00 0.00 H new ATOM 0 HD12 LEU A 19 30.581 19.485 14.345 1.00 0.00 H new ATOM 0 HD13 LEU A 19 30.741 19.597 16.114 1.00 0.00 H new ATOM 0 HD21 LEU A 19 31.458 16.624 16.369 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.373 17.477 17.492 1.00 0.00 H new ATOM 0 HD23 LEU A 19 29.817 16.002 16.666 1.00 0.00 H new ATOM 288 N GLY A 20 27.456 14.832 16.056 1.00 0.00 N ATOM 289 CA GLY A 20 27.466 13.685 16.941 1.00 0.00 C ATOM 290 C GLY A 20 28.541 12.675 16.565 1.00 0.00 C ATOM 291 O GLY A 20 28.354 12.013 15.522 1.00 0.00 O ATOM 292 OXT GLY A 20 29.475 12.478 17.372 1.00 0.00 O ATOM 0 H GLY A 20 27.516 14.559 15.075 1.00 0.00 H new ATOM 0 HA2 GLY A 20 27.628 14.021 17.965 1.00 0.00 H new ATOM 0 HA3 GLY A 20 26.490 13.200 16.915 1.00 0.00 H new TER 296 GLY A 20