USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 279 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 Single : A 179 GLN : amide:sc= -0.428 K(o=-0.43,f=-1) USER MOD Single : A 182 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 214 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 CYS SG : rot 174:sc= 1.55 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 228 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 234 LYS NZ :NH3+ 138:sc= 0.114 (180deg=0) USER MOD Single : A 235 GLN : amide:sc= 0.733 K(o=0.73,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 177 -47.043 44.133 -86.092 1.00 42.40 N ATOM 37 CA LEU A 177 -45.647 44.214 -86.514 1.00 14.14 C ATOM 38 C LEU A 177 -44.815 43.187 -85.740 1.00 25.25 C ATOM 39 O LEU A 177 -45.324 42.557 -84.814 1.00 72.32 O ATOM 40 CB LEU A 177 -45.096 45.646 -86.335 1.00 62.05 C ATOM 41 CG LEU A 177 -44.963 46.137 -84.874 1.00 74.24 C ATOM 42 CD1 LEU A 177 -43.707 47.002 -84.716 1.00 32.31 C ATOM 43 CD2 LEU A 177 -46.188 46.952 -84.441 1.00 21.13 C ATOM 0 HA LEU A 177 -45.582 43.979 -87.576 1.00 14.14 H new ATOM 0 HB2 LEU A 177 -44.115 45.700 -86.807 1.00 62.05 H new ATOM 0 HB3 LEU A 177 -45.747 46.336 -86.873 1.00 62.05 H new ATOM 0 HG LEU A 177 -44.889 45.254 -84.240 1.00 74.24 H new ATOM 0 HD11 LEU A 177 -43.626 47.341 -83.683 1.00 32.31 H new ATOM 0 HD12 LEU A 177 -42.826 46.415 -84.976 1.00 32.31 H new ATOM 0 HD13 LEU A 177 -43.775 47.866 -85.377 1.00 32.31 H new ATOM 0 HD21 LEU A 177 -46.060 47.281 -83.410 1.00 21.13 H new ATOM 0 HD22 LEU A 177 -46.294 47.822 -85.089 1.00 21.13 H new ATOM 0 HD23 LEU A 177 -47.082 46.333 -84.516 1.00 21.13 H new ATOM 55 N ARG A 178 -43.526 43.058 -86.085 1.00 24.30 N ATOM 56 CA ARG A 178 -42.651 41.968 -85.633 1.00 3.45 C ATOM 57 C ARG A 178 -43.294 40.613 -85.986 1.00 25.42 C ATOM 58 O ARG A 178 -44.115 40.547 -86.894 1.00 34.30 O ATOM 59 CB ARG A 178 -42.260 42.149 -84.144 1.00 73.44 C ATOM 60 CG ARG A 178 -40.856 41.593 -83.823 1.00 23.23 C ATOM 61 CD ARG A 178 -40.597 41.481 -82.315 1.00 61.32 C ATOM 62 NE ARG A 178 -39.359 40.724 -82.046 1.00 43.12 N ATOM 63 CZ ARG A 178 -38.185 41.186 -81.591 1.00 4.41 C ATOM 64 NH1 ARG A 178 -38.000 42.487 -81.360 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 -37.194 40.326 -81.381 1.00 63.23 N ATOM 0 H ARG A 178 -43.053 43.722 -86.698 1.00 24.30 H new ATOM 0 HA ARG A 178 -41.699 41.994 -86.163 1.00 3.45 H new ATOM 0 HB2 ARG A 178 -42.293 43.209 -83.891 1.00 73.44 H new ATOM 0 HB3 ARG A 178 -42.997 41.648 -83.516 1.00 73.44 H new ATOM 0 HG2 ARG A 178 -40.745 40.610 -84.281 1.00 23.23 H new ATOM 0 HG3 ARG A 178 -40.102 42.240 -84.270 1.00 23.23 H new ATOM 0 HD2 ARG A 178 -40.520 42.478 -81.881 1.00 61.32 H new ATOM 0 HD3 ARG A 178 -41.441 40.988 -81.833 1.00 61.32 H new ATOM 0 HE ARG A 178 -39.402 39.722 -82.230 1.00 43.12 H new ATOM 0 HH11 ARG A 178 -38.758 43.148 -81.529 1.00 33.23 H new ATOM 0 HH12 ARG A 178 -37.100 42.821 -81.014 1.00 33.23 H new ATOM 0 HH21 ARG A 178 -37.333 39.333 -81.566 1.00 63.23 H new ATOM 0 HH22 ARG A 178 -36.294 40.659 -81.035 1.00 63.23 H new ATOM 79 N GLN A 179 -42.805 39.531 -85.376 1.00 24.00 N ATOM 80 CA GLN A 179 -43.352 38.178 -85.317 1.00 3.32 C ATOM 81 C GLN A 179 -42.349 37.351 -84.509 1.00 35.51 C ATOM 82 O GLN A 179 -42.674 36.857 -83.441 1.00 2.32 O ATOM 83 CB GLN A 179 -43.603 37.533 -86.705 1.00 52.52 C ATOM 84 CG GLN A 179 -45.081 37.509 -87.138 1.00 55.30 C ATOM 85 CD GLN A 179 -45.958 36.667 -86.211 1.00 71.53 C ATOM 86 OE1 GLN A 179 -46.461 37.152 -85.211 1.00 14.25 O ATOM 87 NE2 GLN A 179 -46.151 35.390 -86.498 1.00 3.14 N ATOM 0 H GLN A 179 -41.927 39.589 -84.860 1.00 24.00 H new ATOM 0 HA GLN A 179 -44.338 38.212 -84.854 1.00 3.32 H new ATOM 0 HB2 GLN A 179 -43.026 38.076 -87.454 1.00 52.52 H new ATOM 0 HB3 GLN A 179 -43.225 36.511 -86.691 1.00 52.52 H new ATOM 0 HG2 GLN A 179 -45.463 38.529 -87.164 1.00 55.30 H new ATOM 0 HG3 GLN A 179 -45.151 37.116 -88.152 1.00 55.30 H new ATOM 0 HE21 GLN A 179 -45.730 34.986 -87.334 1.00 3.14 H new ATOM 0 HE22 GLN A 179 -46.721 34.810 -85.883 1.00 3.14 H new ATOM 96 N ARG A 180 -41.107 37.220 -85.001 1.00 65.05 N ATOM 97 CA ARG A 180 -40.100 36.370 -84.362 1.00 64.25 C ATOM 98 C ARG A 180 -39.762 36.873 -82.952 1.00 43.03 C ATOM 99 O ARG A 180 -39.173 37.953 -82.796 1.00 61.12 O ATOM 100 CB ARG A 180 -38.824 36.231 -85.220 1.00 54.40 C ATOM 101 CG ARG A 180 -38.910 35.181 -86.346 1.00 40.31 C ATOM 102 CD ARG A 180 -39.631 35.664 -87.614 1.00 25.33 C ATOM 103 NE ARG A 180 -39.684 34.617 -88.656 1.00 63.12 N ATOM 104 CZ ARG A 180 -38.733 34.304 -89.552 1.00 4.44 C ATOM 105 NH1 ARG A 180 -37.557 34.932 -89.550 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 -38.965 33.355 -90.457 1.00 74.54 N ATOM 0 H ARG A 180 -40.779 37.695 -85.842 1.00 65.05 H new ATOM 0 HA ARG A 180 -40.537 35.375 -84.273 1.00 64.25 H new ATOM 0 HB2 ARG A 180 -38.595 37.200 -85.663 1.00 54.40 H new ATOM 0 HB3 ARG A 180 -37.990 35.974 -84.566 1.00 54.40 H new ATOM 0 HG2 ARG A 180 -37.900 34.870 -86.614 1.00 40.31 H new ATOM 0 HG3 ARG A 180 -39.424 34.299 -85.965 1.00 40.31 H new ATOM 0 HD2 ARG A 180 -40.645 35.973 -87.359 1.00 25.33 H new ATOM 0 HD3 ARG A 180 -39.120 36.542 -88.009 1.00 25.33 H new ATOM 0 HE ARG A 180 -40.543 34.068 -88.700 1.00 63.12 H new ATOM 0 HH11 ARG A 180 -37.369 35.661 -88.862 1.00 33.41 H new ATOM 0 HH12 ARG A 180 -36.845 34.683 -90.237 1.00 33.41 H new ATOM 0 HH21 ARG A 180 -39.862 32.869 -90.468 1.00 74.54 H new ATOM 0 HH22 ARG A 180 -38.246 33.114 -91.139 1.00 74.54 H new ATOM 120 N LEU A 181 -40.095 36.065 -81.949 1.00 42.44 N ATOM 121 CA LEU A 181 -39.559 36.032 -80.597 1.00 73.23 C ATOM 122 C LEU A 181 -39.837 34.599 -80.145 1.00 71.21 C ATOM 123 O LEU A 181 -41.003 34.236 -80.012 1.00 74.14 O ATOM 124 CB LEU A 181 -40.269 37.079 -79.716 1.00 33.22 C ATOM 125 CG LEU A 181 -39.646 37.263 -78.317 1.00 33.35 C ATOM 126 CD1 LEU A 181 -40.209 38.548 -77.695 1.00 5.21 C ATOM 127 CD2 LEU A 181 -39.909 36.098 -77.356 1.00 70.12 C ATOM 0 H LEU A 181 -40.813 35.352 -82.077 1.00 42.44 H new ATOM 0 HA LEU A 181 -38.499 36.279 -80.532 1.00 73.23 H new ATOM 0 HB2 LEU A 181 -40.259 38.038 -80.234 1.00 33.22 H new ATOM 0 HB3 LEU A 181 -41.314 36.790 -79.600 1.00 33.22 H new ATOM 0 HG LEU A 181 -38.567 37.311 -78.460 1.00 33.35 H new ATOM 0 HD11 LEU A 181 -39.778 38.692 -76.704 1.00 5.21 H new ATOM 0 HD12 LEU A 181 -39.957 39.399 -78.328 1.00 5.21 H new ATOM 0 HD13 LEU A 181 -41.293 38.467 -77.610 1.00 5.21 H new ATOM 0 HD21 LEU A 181 -39.438 36.305 -76.395 1.00 70.12 H new ATOM 0 HD22 LEU A 181 -40.983 35.978 -77.215 1.00 70.12 H new ATOM 0 HD23 LEU A 181 -39.493 35.181 -77.774 1.00 70.12 H new ATOM 139 N GLN A 182 -38.811 33.753 -80.036 1.00 62.31 N ATOM 140 CA GLN A 182 -38.945 32.354 -79.635 1.00 40.10 C ATOM 141 C GLN A 182 -37.575 31.863 -79.157 1.00 63.11 C ATOM 142 O GLN A 182 -36.624 32.646 -79.166 1.00 12.30 O ATOM 143 CB GLN A 182 -39.468 31.519 -80.829 1.00 72.53 C ATOM 144 CG GLN A 182 -40.405 30.374 -80.409 1.00 23.40 C ATOM 145 CD GLN A 182 -40.862 29.546 -81.613 1.00 41.05 C ATOM 146 OE1 GLN A 182 -41.195 30.075 -82.666 1.00 54.13 O ATOM 147 NE2 GLN A 182 -40.886 28.226 -81.493 1.00 22.23 N ATOM 0 H GLN A 182 -37.847 34.027 -80.228 1.00 62.31 H new ATOM 0 HA GLN A 182 -39.663 32.246 -78.822 1.00 40.10 H new ATOM 0 HB2 GLN A 182 -39.997 32.177 -81.519 1.00 72.53 H new ATOM 0 HB3 GLN A 182 -38.619 31.103 -81.372 1.00 72.53 H new ATOM 0 HG2 GLN A 182 -39.893 29.728 -79.696 1.00 23.40 H new ATOM 0 HG3 GLN A 182 -41.276 30.785 -79.898 1.00 23.40 H new ATOM 0 HE21 GLN A 182 -40.608 27.789 -80.614 1.00 22.23 H new ATOM 0 HE22 GLN A 182 -41.182 27.648 -82.279 1.00 22.23 H new ATOM 156 N ASP A 183 -37.484 30.589 -78.752 1.00 20.03 N ATOM 157 CA ASP A 183 -36.294 29.872 -78.294 1.00 43.12 C ATOM 158 C ASP A 183 -35.641 30.510 -77.065 1.00 32.23 C ATOM 159 O ASP A 183 -34.540 30.190 -76.634 1.00 34.24 O ATOM 160 CB ASP A 183 -35.387 29.606 -79.491 1.00 20.31 C ATOM 161 CG ASP A 183 -34.278 28.607 -79.169 1.00 12.13 C ATOM 162 OD1 ASP A 183 -34.631 27.569 -78.565 1.00 22.45 O ATOM 163 OD2 ASP A 183 -33.137 28.857 -79.610 1.00 23.45 O1- ATOM 0 H ASP A 183 -38.308 29.988 -78.736 1.00 20.03 H new ATOM 0 HA ASP A 183 -36.571 28.894 -77.900 1.00 43.12 H new ATOM 0 HB2 ASP A 183 -35.985 29.227 -80.320 1.00 20.31 H new ATOM 0 HB3 ASP A 183 -34.942 30.544 -79.822 1.00 20.31 H new ATOM 168 N THR A 184 -36.410 31.356 -76.388 1.00 51.30 N ATOM 169 CA THR A 184 -36.087 31.964 -75.114 1.00 22.11 C ATOM 170 C THR A 184 -36.133 30.949 -73.955 1.00 53.13 C ATOM 171 O THR A 184 -36.166 31.361 -72.798 1.00 71.31 O ATOM 172 CB THR A 184 -37.074 33.131 -74.911 1.00 3.31 C ATOM 173 OG1 THR A 184 -38.412 32.667 -74.969 1.00 25.41 O ATOM 174 CG2 THR A 184 -36.950 34.198 -76.009 1.00 51.10 C ATOM 0 H THR A 184 -37.323 31.648 -76.737 1.00 51.30 H new ATOM 0 HA THR A 184 -35.061 32.333 -75.118 1.00 22.11 H new ATOM 0 HB THR A 184 -36.829 33.558 -73.938 1.00 3.31 H new ATOM 0 HG1 THR A 184 -39.025 33.420 -74.837 1.00 25.41 H new ATOM 0 HG21 THR A 184 -37.666 34.998 -75.821 1.00 51.10 H new ATOM 0 HG22 THR A 184 -35.940 34.607 -76.007 1.00 51.10 H new ATOM 0 HG23 THR A 184 -37.157 33.747 -76.980 1.00 51.10 H new ATOM 182 N VAL A 185 -36.226 29.645 -74.246 1.00 43.51 N ATOM 183 CA VAL A 185 -36.584 28.597 -73.294 1.00 73.04 C ATOM 184 C VAL A 185 -35.432 27.635 -72.977 1.00 11.42 C ATOM 185 O VAL A 185 -35.641 26.659 -72.259 1.00 54.52 O ATOM 186 CB VAL A 185 -37.857 27.876 -73.789 1.00 23.54 C ATOM 187 CG1 VAL A 185 -39.054 28.840 -73.858 1.00 72.43 C ATOM 188 CG2 VAL A 185 -37.679 27.208 -75.164 1.00 23.12 C ATOM 0 H VAL A 185 -36.047 29.283 -75.183 1.00 43.51 H new ATOM 0 HA VAL A 185 -36.799 29.068 -72.335 1.00 73.04 H new ATOM 0 HB VAL A 185 -38.049 27.093 -73.055 1.00 23.54 H new ATOM 0 HG11 VAL A 185 -39.934 28.302 -74.210 1.00 72.43 H new ATOM 0 HG12 VAL A 185 -39.250 29.248 -72.866 1.00 72.43 H new ATOM 0 HG13 VAL A 185 -38.827 29.654 -74.547 1.00 72.43 H new ATOM 0 HG21 VAL A 185 -38.609 26.719 -75.454 1.00 23.12 H new ATOM 0 HG22 VAL A 185 -37.420 27.964 -75.905 1.00 23.12 H new ATOM 0 HG23 VAL A 185 -36.882 26.467 -75.108 1.00 23.12 H new ATOM 198 N GLY A 186 -34.236 27.900 -73.505 1.00 64.11 N ATOM 199 CA GLY A 186 -33.042 27.102 -73.251 1.00 14.24 C ATOM 200 C GLY A 186 -32.194 27.748 -72.159 1.00 62.45 C ATOM 201 O GLY A 186 -32.600 27.801 -70.998 1.00 21.23 O ATOM 0 H GLY A 186 -34.070 28.688 -74.131 1.00 64.11 H new ATOM 0 HA2 GLY A 186 -33.328 26.094 -72.950 1.00 14.24 H new ATOM 0 HA3 GLY A 186 -32.458 27.008 -74.166 1.00 14.24 H new ATOM 205 N LEU A 187 -31.033 28.293 -72.542 1.00 72.41 N ATOM 206 CA LEU A 187 -29.979 28.739 -71.622 1.00 12.03 C ATOM 207 C LEU A 187 -29.472 27.555 -70.766 1.00 61.21 C ATOM 208 O LEU A 187 -29.716 26.405 -71.105 1.00 12.43 O ATOM 209 CB LEU A 187 -30.464 29.952 -70.799 1.00 63.55 C ATOM 210 CG LEU A 187 -29.316 30.902 -70.403 1.00 32.34 C ATOM 211 CD1 LEU A 187 -29.249 32.120 -71.330 1.00 15.23 C ATOM 212 CD2 LEU A 187 -29.474 31.354 -68.952 1.00 11.21 C ATOM 0 H LEU A 187 -30.795 28.440 -73.523 1.00 72.41 H new ATOM 0 HA LEU A 187 -29.114 29.087 -72.187 1.00 12.03 H new ATOM 0 HB2 LEU A 187 -31.204 30.505 -71.377 1.00 63.55 H new ATOM 0 HB3 LEU A 187 -30.964 29.597 -69.897 1.00 63.55 H new ATOM 0 HG LEU A 187 -28.381 30.350 -70.505 1.00 32.34 H new ATOM 0 HD11 LEU A 187 -28.428 32.768 -71.021 1.00 15.23 H new ATOM 0 HD12 LEU A 187 -29.084 31.788 -72.355 1.00 15.23 H new ATOM 0 HD13 LEU A 187 -30.187 32.672 -71.274 1.00 15.23 H new ATOM 0 HD21 LEU A 187 -28.656 32.024 -68.688 1.00 11.21 H new ATOM 0 HD22 LEU A 187 -30.423 31.877 -68.835 1.00 11.21 H new ATOM 0 HD23 LEU A 187 -29.456 30.484 -68.296 1.00 11.21 H new ATOM 674 N MET A 214 -9.860 -6.119 -12.964 1.00 0.24 N ATOM 675 CA MET A 214 -11.237 -6.439 -12.581 1.00 32.05 C ATOM 676 C MET A 214 -11.453 -6.067 -11.103 1.00 23.33 C ATOM 677 O MET A 214 -10.553 -5.490 -10.497 1.00 53.34 O ATOM 678 CB MET A 214 -11.570 -7.915 -12.900 1.00 13.22 C ATOM 679 CG MET A 214 -12.244 -8.126 -14.256 1.00 41.51 C ATOM 680 SD MET A 214 -12.886 -9.804 -14.471 1.00 21.51 S ATOM 681 CE MET A 214 -13.850 -9.543 -15.977 1.00 63.42 C ATOM 0 HA MET A 214 -11.937 -5.847 -13.171 1.00 32.05 H new ATOM 0 HB2 MET A 214 -10.650 -8.498 -12.870 1.00 13.22 H new ATOM 0 HB3 MET A 214 -12.221 -8.306 -12.118 1.00 13.22 H new ATOM 0 HG2 MET A 214 -13.061 -7.413 -14.364 1.00 41.51 H new ATOM 0 HG3 MET A 214 -11.528 -7.912 -15.049 1.00 41.51 H new ATOM 0 HE1 MET A 214 -14.327 -10.478 -16.270 1.00 63.42 H new ATOM 0 HE2 MET A 214 -14.614 -8.787 -15.794 1.00 63.42 H new ATOM 0 HE3 MET A 214 -13.191 -9.206 -16.777 1.00 63.42 H new ATOM 691 N LEU A 215 -12.607 -6.414 -10.517 1.00 34.21 N ATOM 692 CA LEU A 215 -13.044 -6.140 -9.143 1.00 73.12 C ATOM 693 C LEU A 215 -13.350 -4.655 -8.934 1.00 63.53 C ATOM 694 O LEU A 215 -12.677 -3.766 -9.460 1.00 4.22 O ATOM 695 CB LEU A 215 -12.085 -6.772 -8.094 1.00 11.32 C ATOM 696 CG LEU A 215 -12.032 -6.111 -6.697 1.00 5.51 C ATOM 697 CD1 LEU A 215 -11.594 -7.123 -5.632 1.00 20.01 C ATOM 698 CD2 LEU A 215 -11.041 -4.938 -6.642 1.00 75.40 C ATOM 0 H LEU A 215 -13.315 -6.935 -11.034 1.00 34.21 H new ATOM 0 HA LEU A 215 -13.996 -6.643 -8.976 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -12.368 -7.816 -7.963 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -11.077 -6.765 -8.510 1.00 11.32 H new ATOM 0 HG LEU A 215 -13.041 -5.746 -6.502 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -11.564 -6.636 -4.658 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -12.303 -7.950 -5.602 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -10.603 -7.504 -5.878 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -11.041 -4.508 -5.640 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -10.040 -5.296 -6.883 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -11.338 -4.177 -7.363 1.00 75.40 H new ATOM 710 N GLU A 216 -14.379 -4.381 -8.128 1.00 42.34 N ATOM 711 CA GLU A 216 -14.741 -3.020 -7.744 1.00 21.22 C ATOM 712 C GLU A 216 -15.288 -2.887 -6.320 1.00 61.20 C ATOM 713 O GLU A 216 -15.639 -1.784 -5.896 1.00 11.33 O ATOM 714 CB GLU A 216 -15.728 -2.436 -8.767 1.00 25.21 C ATOM 715 CG GLU A 216 -17.006 -3.280 -8.879 1.00 54.02 C ATOM 716 CD GLU A 216 -18.171 -2.495 -9.462 1.00 1.13 C ATOM 717 OE1 GLU A 216 -18.684 -1.585 -8.767 1.00 44.35 O1- ATOM 718 OE2 GLU A 216 -18.722 -2.896 -10.511 1.00 13.22 O ATOM 0 H GLU A 216 -14.982 -5.098 -7.725 1.00 42.34 H new ATOM 0 HA GLU A 216 -13.814 -2.446 -7.746 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -15.990 -1.418 -8.478 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -15.246 -2.376 -9.743 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -16.809 -4.151 -9.504 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -17.280 -3.652 -7.892 1.00 54.02 H new ATOM 725 N LYS A 217 -15.365 -3.977 -5.560 1.00 71.23 N ATOM 726 CA LYS A 217 -16.072 -4.018 -4.282 1.00 24.12 C ATOM 727 C LYS A 217 -15.397 -5.038 -3.384 1.00 41.53 C ATOM 728 O LYS A 217 -14.974 -6.093 -3.854 1.00 65.12 O ATOM 729 CB LYS A 217 -17.564 -4.335 -4.528 1.00 63.53 C ATOM 730 CG LYS A 217 -18.389 -4.319 -3.230 1.00 33.31 C ATOM 731 CD LYS A 217 -19.901 -4.488 -3.452 1.00 21.23 C ATOM 732 CE LYS A 217 -20.538 -3.220 -4.044 1.00 11.23 C ATOM 733 NZ LYS A 217 -22.019 -3.283 -4.051 1.00 34.23 N1+ ATOM 0 H LYS A 217 -14.934 -4.865 -5.816 1.00 71.23 H new ATOM 0 HA LYS A 217 -16.030 -3.052 -3.779 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -17.977 -3.607 -5.227 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -17.652 -5.314 -4.999 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -18.036 -5.117 -2.577 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -18.211 -3.378 -2.709 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -20.078 -5.330 -4.121 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -20.383 -4.728 -2.504 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -20.217 -2.352 -3.468 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -20.178 -3.077 -5.063 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -22.402 -2.406 -4.459 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -22.329 -4.095 -4.622 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -22.366 -3.392 -3.077 1.00 34.23 H new ATOM 747 N CYS A 218 -15.277 -4.714 -2.099 1.00 72.34 N ATOM 748 CA CYS A 218 -14.610 -5.521 -1.097 1.00 52.25 C ATOM 749 C CYS A 218 -15.157 -5.132 0.284 1.00 53.24 C ATOM 750 O CYS A 218 -14.600 -4.228 0.900 1.00 3.44 O ATOM 751 CB CYS A 218 -13.096 -5.313 -1.209 1.00 41.44 C ATOM 752 SG CYS A 218 -12.288 -6.342 0.049 1.00 24.22 S ATOM 0 H CYS A 218 -15.658 -3.848 -1.719 1.00 72.34 H new ATOM 0 HA CYS A 218 -14.803 -6.583 -1.248 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -12.747 -5.586 -2.205 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -12.844 -4.263 -1.060 1.00 41.44 H new ATOM 0 HG CYS A 218 -10.998 -6.278 -0.101 1.00 24.22 H new ATOM 758 N PRO A 219 -16.269 -5.720 0.764 1.00 2.24 N ATOM 759 CA PRO A 219 -16.873 -5.338 2.042 1.00 23.03 C ATOM 760 C PRO A 219 -16.070 -5.795 3.276 1.00 53.55 C ATOM 761 O PRO A 219 -16.476 -5.510 4.401 1.00 51.44 O ATOM 762 CB PRO A 219 -18.263 -5.986 2.015 1.00 13.32 C ATOM 763 CG PRO A 219 -18.034 -7.261 1.202 1.00 34.20 C ATOM 764 CD PRO A 219 -17.009 -6.820 0.157 1.00 63.34 C ATOM 0 HA PRO A 219 -16.903 -4.253 2.142 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -18.624 -6.207 3.019 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -19.002 -5.336 1.546 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -17.655 -8.073 1.822 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -18.955 -7.616 0.740 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -16.342 -7.641 -0.107 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -17.500 -6.500 -0.762 1.00 63.34 H new ATOM 772 N PHE A 220 -14.988 -6.558 3.099 1.00 52.33 N ATOM 773 CA PHE A 220 -14.240 -7.145 4.196 1.00 13.33 C ATOM 774 C PHE A 220 -13.504 -6.061 4.992 1.00 31.11 C ATOM 775 O PHE A 220 -12.993 -5.110 4.396 1.00 61.21 O ATOM 776 CB PHE A 220 -13.269 -8.188 3.625 1.00 12.53 C ATOM 777 CG PHE A 220 -13.991 -9.268 2.841 1.00 53.04 C ATOM 778 CD1 PHE A 220 -15.001 -10.033 3.459 1.00 43.24 C ATOM 779 CD2 PHE A 220 -13.711 -9.458 1.473 1.00 11.32 C ATOM 780 CE1 PHE A 220 -15.743 -10.958 2.707 1.00 24.41 C ATOM 781 CE2 PHE A 220 -14.451 -10.389 0.726 1.00 35.04 C ATOM 782 CZ PHE A 220 -15.474 -11.131 1.341 1.00 24.35 C ATOM 0 H PHE A 220 -14.609 -6.783 2.179 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.921 -7.638 4.890 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.545 -7.693 2.978 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.708 -8.645 4.440 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -15.204 -9.907 4.512 1.00 43.24 H new ATOM 0 HD2 PHE A 220 -12.927 -8.887 0.999 1.00 11.32 H new ATOM 0 HE1 PHE A 220 -16.522 -11.537 3.181 1.00 24.41 H new ATOM 0 HE2 PHE A 220 -14.234 -10.535 -0.322 1.00 35.04 H new ATOM 0 HZ PHE A 220 -16.053 -11.835 0.762 1.00 24.35 H new ATOM 792 N PRO A 221 -13.386 -6.220 6.321 1.00 52.42 N ATOM 793 CA PRO A 221 -12.698 -5.264 7.172 1.00 64.02 C ATOM 794 C PRO A 221 -11.207 -5.228 6.830 1.00 52.52 C ATOM 795 O PRO A 221 -10.604 -6.260 6.521 1.00 61.24 O ATOM 796 CB PRO A 221 -12.948 -5.742 8.608 1.00 3.32 C ATOM 797 CG PRO A 221 -13.183 -7.244 8.453 1.00 31.34 C ATOM 798 CD PRO A 221 -13.891 -7.336 7.102 1.00 13.23 C ATOM 0 HA PRO A 221 -13.062 -4.246 7.035 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -12.095 -5.535 9.254 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -13.811 -5.245 9.051 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -12.247 -7.803 8.459 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -13.797 -7.643 9.260 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -13.678 -8.286 6.612 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -14.973 -7.274 7.221 1.00 13.23 H new ATOM 806 N ALA A 222 -10.601 -4.044 6.947 1.00 15.10 N ATOM 807 CA ALA A 222 -9.170 -3.818 6.793 1.00 33.50 C ATOM 808 C ALA A 222 -8.421 -4.414 7.990 1.00 45.31 C ATOM 809 O ALA A 222 -7.975 -3.704 8.886 1.00 5.14 O ATOM 810 CB ALA A 222 -8.903 -2.316 6.618 1.00 54.51 C ATOM 0 H ALA A 222 -11.115 -3.189 7.159 1.00 15.10 H new ATOM 0 HA ALA A 222 -8.800 -4.320 5.899 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -7.832 -2.148 6.503 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -9.424 -1.955 5.732 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -9.263 -1.778 7.495 1.00 54.51 H new ATOM 816 N GLY A 223 -8.325 -5.739 8.002 1.00 72.54 N ATOM 817 CA GLY A 223 -7.787 -6.542 9.084 1.00 54.34 C ATOM 818 C GLY A 223 -8.318 -7.963 8.953 1.00 13.20 C ATOM 819 O GLY A 223 -8.816 -8.535 9.916 1.00 13.51 O ATOM 0 H GLY A 223 -8.638 -6.307 7.215 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -6.698 -6.542 9.048 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -8.075 -6.119 10.047 1.00 54.34 H new ATOM 823 N SER A 224 -8.294 -8.514 7.738 1.00 12.10 N ATOM 824 CA SER A 224 -8.747 -9.856 7.427 1.00 32.34 C ATOM 825 C SER A 224 -7.990 -10.302 6.181 1.00 62.33 C ATOM 826 O SER A 224 -7.739 -9.490 5.287 1.00 52.54 O ATOM 827 CB SER A 224 -10.261 -9.826 7.194 1.00 2.20 C ATOM 828 OG SER A 224 -10.767 -11.092 6.810 1.00 61.34 O ATOM 0 H SER A 224 -7.945 -8.014 6.920 1.00 12.10 H new ATOM 0 HA SER A 224 -8.554 -10.558 8.239 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.761 -9.498 8.105 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.494 -9.094 6.421 1.00 2.20 H new ATOM 0 HG SER A 224 -11.735 -11.029 6.673 1.00 61.34 H new ATOM 834 N ASP A 225 -7.678 -11.593 6.079 1.00 61.25 N ATOM 835 CA ASP A 225 -7.005 -12.163 4.910 1.00 53.22 C ATOM 836 C ASP A 225 -7.873 -12.098 3.665 1.00 11.51 C ATOM 837 O ASP A 225 -7.367 -12.188 2.550 1.00 20.21 O ATOM 838 CB ASP A 225 -6.599 -13.613 5.158 1.00 65.42 C ATOM 839 CG ASP A 225 -5.443 -13.651 6.143 1.00 1.12 C ATOM 840 OD1 ASP A 225 -4.385 -13.073 5.795 1.00 54.24 O1- ATOM 841 OD2 ASP A 225 -5.668 -14.194 7.244 1.00 40.32 O ATOM 0 H ASP A 225 -7.885 -12.277 6.807 1.00 61.25 H new ATOM 0 HA ASP A 225 -6.113 -11.559 4.745 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -7.445 -14.177 5.551 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -6.308 -14.086 4.220 1.00 65.42 H new ATOM 846 N LEU A 226 -9.188 -11.934 3.821 1.00 65.13 N ATOM 847 CA LEU A 226 -10.064 -11.696 2.684 1.00 13.44 C ATOM 848 C LEU A 226 -9.741 -10.324 2.098 1.00 72.23 C ATOM 849 O LEU A 226 -9.571 -10.196 0.885 1.00 44.25 O ATOM 850 CB LEU A 226 -11.537 -11.788 3.100 1.00 21.33 C ATOM 851 CG LEU A 226 -11.954 -13.175 3.635 1.00 42.04 C ATOM 852 CD1 LEU A 226 -13.347 -13.121 4.262 1.00 2.14 C ATOM 853 CD2 LEU A 226 -11.936 -14.242 2.531 1.00 31.03 C ATOM 0 H LEU A 226 -9.664 -11.962 4.723 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.897 -12.461 1.926 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.734 -11.040 3.868 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -12.162 -11.538 2.243 1.00 21.33 H new ATOM 0 HG LEU A 226 -11.224 -13.452 4.395 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.618 -14.110 4.631 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -13.346 -12.412 5.090 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -14.071 -12.802 3.512 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -12.235 -15.203 2.949 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -12.630 -13.958 1.740 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -10.930 -14.323 2.120 1.00 31.03 H new ATOM 865 N ALA A 227 -9.587 -9.307 2.954 1.00 33.13 N ATOM 866 CA ALA A 227 -9.156 -7.989 2.518 1.00 31.51 C ATOM 867 C ALA A 227 -7.737 -8.066 1.940 1.00 61.32 C ATOM 868 O ALA A 227 -7.501 -7.525 0.862 1.00 1.22 O ATOM 869 CB ALA A 227 -9.255 -6.965 3.654 1.00 20.11 C ATOM 0 H ALA A 227 -9.758 -9.380 3.957 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.825 -7.646 1.729 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -8.925 -5.990 3.295 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -10.289 -6.896 3.993 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.621 -7.279 4.483 1.00 20.11 H new ATOM 875 N GLN A 228 -6.813 -8.799 2.577 1.00 2.11 N ATOM 876 CA GLN A 228 -5.465 -8.972 2.022 1.00 62.54 C ATOM 877 C GLN A 228 -5.507 -9.603 0.617 1.00 60.13 C ATOM 878 O GLN A 228 -4.650 -9.306 -0.219 1.00 43.54 O ATOM 879 CB GLN A 228 -4.547 -9.820 2.929 1.00 74.33 C ATOM 880 CG GLN A 228 -4.387 -9.300 4.371 1.00 13.33 C ATOM 881 CD GLN A 228 -2.998 -9.611 4.932 1.00 64.54 C ATOM 882 OE1 GLN A 228 -2.125 -8.751 4.922 1.00 5.12 O ATOM 883 NE2 GLN A 228 -2.738 -10.816 5.417 1.00 5.01 N ATOM 0 H GLN A 228 -6.972 -9.275 3.465 1.00 2.11 H new ATOM 0 HA GLN A 228 -5.046 -7.968 1.958 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.940 -10.836 2.968 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -3.561 -9.877 2.469 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -4.555 -8.223 4.391 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -5.147 -9.753 5.008 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -3.466 -11.531 5.425 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -1.810 -11.029 5.783 1.00 5.01 H new ATOM 892 N LYS A 229 -6.497 -10.455 0.322 1.00 14.24 N ATOM 893 CA LYS A 229 -6.553 -11.180 -0.940 1.00 61.11 C ATOM 894 C LYS A 229 -7.154 -10.295 -2.014 1.00 50.14 C ATOM 895 O LYS A 229 -6.842 -10.499 -3.188 1.00 20.33 O ATOM 896 CB LYS A 229 -7.344 -12.485 -0.794 1.00 43.15 C ATOM 897 CG LYS A 229 -6.446 -13.589 -0.220 1.00 65.30 C ATOM 898 CD LYS A 229 -7.250 -14.846 0.127 1.00 2.11 C ATOM 899 CE LYS A 229 -6.294 -15.905 0.694 1.00 22.04 C ATOM 900 NZ LYS A 229 -6.983 -17.174 1.030 1.00 4.21 N1+ ATOM 0 H LYS A 229 -7.274 -10.656 0.951 1.00 14.24 H new ATOM 0 HA LYS A 229 -5.538 -11.447 -1.234 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -8.202 -12.327 -0.140 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -7.735 -12.792 -1.764 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -5.670 -13.841 -0.943 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -5.942 -13.221 0.673 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -8.025 -14.609 0.856 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -7.753 -15.229 -0.761 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -5.507 -16.105 -0.033 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -5.810 -15.511 1.588 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -6.293 -17.854 1.408 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -7.717 -16.992 1.744 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -7.423 -17.567 0.174 1.00 4.21 H new ATOM 914 N TRP A 230 -7.960 -9.299 -1.629 1.00 13.20 N ATOM 915 CA TRP A 230 -8.542 -8.417 -2.614 1.00 72.33 C ATOM 916 C TRP A 230 -7.385 -7.710 -3.335 1.00 31.00 C ATOM 917 O TRP A 230 -7.238 -7.840 -4.550 1.00 23.12 O ATOM 918 CB TRP A 230 -9.585 -7.456 -1.997 1.00 34.15 C ATOM 919 CG TRP A 230 -9.211 -6.041 -1.626 1.00 61.20 C ATOM 920 CD1 TRP A 230 -9.160 -5.461 -0.409 1.00 14.12 C ATOM 921 CD2 TRP A 230 -8.864 -4.971 -2.540 1.00 53.24 C ATOM 922 NE1 TRP A 230 -8.745 -4.148 -0.519 1.00 24.03 N ATOM 923 CE2 TRP A 230 -8.532 -3.792 -1.827 1.00 13.24 C ATOM 924 CE3 TRP A 230 -8.747 -4.935 -3.935 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -8.090 -2.637 -2.476 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -8.309 -3.786 -4.613 1.00 33.44 C ATOM 927 CH2 TRP A 230 -7.988 -2.637 -3.877 1.00 4.35 C ATOM 0 H TRP A 230 -8.213 -9.096 -0.662 1.00 13.20 H new ATOM 0 HA TRP A 230 -9.119 -8.981 -3.346 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.417 -7.393 -2.699 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -9.965 -7.934 -1.094 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -9.408 -5.953 0.520 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -8.613 -3.520 0.274 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -9.001 -5.816 -4.506 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -7.830 -1.756 -1.908 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -8.220 -3.788 -5.689 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -7.660 -1.745 -4.391 1.00 4.35 H new ATOM 938 N HIS A 231 -6.556 -6.983 -2.578 1.00 41.52 N ATOM 939 CA HIS A 231 -5.463 -6.172 -3.100 1.00 44.11 C ATOM 940 C HIS A 231 -4.426 -7.047 -3.809 1.00 62.42 C ATOM 941 O HIS A 231 -3.908 -6.680 -4.864 1.00 2.10 O ATOM 942 CB HIS A 231 -4.842 -5.369 -1.946 1.00 73.30 C ATOM 943 CG HIS A 231 -3.696 -4.494 -2.379 1.00 1.23 C ATOM 944 ND1 HIS A 231 -2.445 -4.463 -1.807 1.00 54.43 N ATOM 945 CD2 HIS A 231 -3.704 -3.597 -3.413 1.00 54.44 C ATOM 946 CE1 HIS A 231 -1.712 -3.556 -2.478 1.00 44.02 C ATOM 947 NE2 HIS A 231 -2.440 -3.007 -3.465 1.00 72.12 N ATOM 0 H HIS A 231 -6.633 -6.945 -1.562 1.00 41.52 H new ATOM 0 HA HIS A 231 -5.845 -5.474 -3.845 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -5.612 -4.748 -1.489 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -4.493 -6.060 -1.178 1.00 73.30 H new ATOM 0 HD2 HIS A 231 -4.536 -3.385 -4.068 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -0.685 -3.305 -2.255 1.00 44.02 H new ATOM 0 HE2 HIS A 231 -2.129 -2.295 -4.126 1.00 72.12 H new ATOM 955 N LEU A 232 -4.158 -8.236 -3.258 1.00 43.21 N ATOM 956 CA LEU A 232 -3.245 -9.222 -3.832 1.00 54.14 C ATOM 957 C LEU A 232 -3.576 -9.484 -5.304 1.00 63.01 C ATOM 958 O LEU A 232 -2.694 -9.413 -6.167 1.00 33.14 O ATOM 959 CB LEU A 232 -3.344 -10.520 -3.014 1.00 63.34 C ATOM 960 CG LEU A 232 -2.477 -11.685 -3.529 1.00 62.14 C ATOM 961 CD1 LEU A 232 -0.982 -11.402 -3.327 1.00 23.25 C ATOM 962 CD2 LEU A 232 -2.861 -12.963 -2.771 1.00 64.32 C ATOM 0 H LEU A 232 -4.580 -8.543 -2.382 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.226 -8.838 -3.791 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -3.061 -10.304 -1.984 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -4.385 -10.842 -2.997 1.00 63.34 H new ATOM 0 HG LEU A 232 -2.656 -11.805 -4.597 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -0.399 -12.243 -3.701 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -0.706 -10.499 -3.871 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -0.778 -11.263 -2.265 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -2.253 -13.794 -3.128 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -2.689 -12.819 -1.704 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -3.915 -13.185 -2.942 1.00 64.32 H new ATOM 974 N ILE A 233 -4.840 -9.806 -5.594 1.00 20.31 N ATOM 975 CA ILE A 233 -5.247 -10.280 -6.910 1.00 12.23 C ATOM 976 C ILE A 233 -5.756 -9.105 -7.762 1.00 33.40 C ATOM 977 O ILE A 233 -5.561 -9.124 -8.974 1.00 73.01 O ATOM 978 CB ILE A 233 -6.264 -11.446 -6.787 1.00 31.24 C ATOM 979 CG1 ILE A 233 -5.862 -12.520 -5.738 1.00 41.21 C ATOM 980 CG2 ILE A 233 -6.380 -12.132 -8.160 1.00 11.11 C ATOM 981 CD1 ILE A 233 -7.002 -13.480 -5.373 1.00 1.50 C ATOM 0 H ILE A 233 -5.604 -9.744 -4.922 1.00 20.31 H new ATOM 0 HA ILE A 233 -4.384 -10.693 -7.433 1.00 12.23 H new ATOM 0 HB ILE A 233 -7.207 -11.013 -6.454 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -5.022 -13.097 -6.125 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -5.515 -12.020 -4.833 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -7.091 -12.956 -8.096 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -6.727 -11.410 -8.899 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -5.405 -12.517 -8.458 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -6.648 -14.201 -4.636 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -7.835 -12.914 -4.956 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -7.334 -14.008 -6.267 1.00 1.50 H new ATOM 993 N LYS A 234 -6.354 -8.076 -7.144 1.00 35.12 N ATOM 994 CA LYS A 234 -6.899 -6.816 -7.688 1.00 65.43 C ATOM 995 C LYS A 234 -7.742 -6.936 -8.958 1.00 71.04 C ATOM 996 O LYS A 234 -7.824 -6.013 -9.761 1.00 11.24 O ATOM 997 CB LYS A 234 -5.853 -5.698 -7.715 1.00 41.01 C ATOM 998 CG LYS A 234 -4.917 -5.597 -8.931 1.00 40.11 C ATOM 999 CD LYS A 234 -3.444 -5.847 -8.611 1.00 52.01 C ATOM 1000 CE LYS A 234 -3.180 -7.340 -8.439 1.00 24.13 C ATOM 1001 NZ LYS A 234 -1.743 -7.666 -8.473 1.00 64.53 N1+ ATOM 0 H LYS A 234 -6.484 -8.108 -6.133 1.00 35.12 H new ATOM 0 HA LYS A 234 -7.655 -6.512 -6.964 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -6.380 -4.749 -7.623 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -5.231 -5.805 -6.826 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -5.240 -6.315 -9.685 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -5.018 -4.605 -9.372 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -2.820 -5.451 -9.412 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -3.168 -5.316 -7.700 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -3.603 -7.674 -7.491 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -3.693 -7.890 -9.228 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -1.528 -8.367 -7.735 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -1.498 -8.058 -9.405 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -1.187 -6.803 -8.303 1.00 64.53 H new ATOM 1015 N GLN A 235 -8.290 -8.122 -9.177 1.00 72.02 N ATOM 1016 CA GLN A 235 -8.989 -8.524 -10.397 1.00 11.35 C ATOM 1017 C GLN A 235 -10.072 -9.532 -10.020 1.00 33.24 C ATOM 1018 O GLN A 235 -11.267 -9.332 -10.221 1.00 30.21 O ATOM 1019 CB GLN A 235 -7.971 -9.120 -11.401 1.00 22.32 C ATOM 1020 CG GLN A 235 -6.815 -8.199 -11.815 1.00 50.13 C ATOM 1021 CD GLN A 235 -5.667 -8.930 -12.505 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -5.436 -8.793 -13.707 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -4.881 -9.655 -11.730 1.00 43.20 N ATOM 0 H GLN A 235 -8.260 -8.866 -8.480 1.00 72.02 H new ATOM 0 HA GLN A 235 -9.462 -7.668 -10.878 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -7.549 -10.026 -10.965 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -8.510 -9.420 -12.300 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -7.198 -7.428 -12.484 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -6.431 -7.691 -10.930 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -5.094 -9.753 -10.737 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -4.061 -10.117 -12.124 1.00 43.20 H new