USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=5 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 Set 1.1: A 231 HIS : no HE2:sc= 0.706 K(o=1.7,f=-5.1!) USER MOD Set 1.2: A 234 LYS NZ :NH3+ 158:sc= 1.03 (180deg=0) USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 182 GLN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0.0468 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 -180:sc= -0.183 USER MOD Single : A 224 SER OG : rot 83:sc= 0.931 USER MOD Single : A 228 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 GLN : amide:sc= -0.476 K(o=-0.48,f=-1) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 177 -6.599 -57.974 -54.276 1.00 42.40 N ATOM 37 CA LEU A 177 -7.847 -58.511 -54.810 1.00 14.14 C ATOM 38 C LEU A 177 -7.755 -58.525 -56.346 1.00 25.25 C ATOM 39 O LEU A 177 -6.711 -58.220 -56.925 1.00 72.32 O ATOM 40 CB LEU A 177 -9.021 -57.645 -54.296 1.00 62.05 C ATOM 41 CG LEU A 177 -10.371 -58.388 -54.180 1.00 74.24 C ATOM 42 CD1 LEU A 177 -10.378 -59.369 -53.001 1.00 32.31 C ATOM 43 CD2 LEU A 177 -11.508 -57.378 -54.005 1.00 21.13 C ATOM 0 HA LEU A 177 -8.020 -59.534 -54.476 1.00 14.14 H new ATOM 0 HB2 LEU A 177 -8.757 -57.244 -53.317 1.00 62.05 H new ATOM 0 HB3 LEU A 177 -9.147 -56.794 -54.965 1.00 62.05 H new ATOM 0 HG LEU A 177 -10.515 -58.957 -55.098 1.00 74.24 H new ATOM 0 HD11 LEU A 177 -11.344 -59.872 -52.952 1.00 32.31 H new ATOM 0 HD12 LEU A 177 -9.590 -60.109 -53.139 1.00 32.31 H new ATOM 0 HD13 LEU A 177 -10.206 -58.824 -52.073 1.00 32.31 H new ATOM 0 HD21 LEU A 177 -12.457 -57.909 -53.924 1.00 21.13 H new ATOM 0 HD22 LEU A 177 -11.340 -56.794 -53.100 1.00 21.13 H new ATOM 0 HD23 LEU A 177 -11.538 -56.711 -54.867 1.00 21.13 H new ATOM 55 N ARG A 178 -8.843 -58.863 -57.040 1.00 24.30 N ATOM 56 CA ARG A 178 -8.973 -58.751 -58.492 1.00 3.45 C ATOM 57 C ARG A 178 -10.267 -57.997 -58.769 1.00 25.42 C ATOM 58 O ARG A 178 -11.247 -58.232 -58.067 1.00 34.30 O ATOM 59 CB ARG A 178 -9.031 -60.149 -59.131 1.00 73.44 C ATOM 60 CG ARG A 178 -7.729 -60.952 -58.987 1.00 23.23 C ATOM 61 CD ARG A 178 -7.919 -62.356 -59.578 1.00 61.32 C ATOM 62 NE ARG A 178 -6.675 -63.147 -59.537 1.00 43.12 N ATOM 63 CZ ARG A 178 -6.554 -64.434 -59.895 1.00 4.41 C ATOM 64 NH1 ARG A 178 -7.618 -65.131 -60.294 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 -5.359 -65.022 -59.856 1.00 63.23 N ATOM 0 H ARG A 178 -9.682 -59.233 -56.593 1.00 24.30 H new ATOM 0 HA ARG A 178 -8.117 -58.225 -58.916 1.00 3.45 H new ATOM 0 HB2 ARG A 178 -9.846 -60.712 -58.677 1.00 73.44 H new ATOM 0 HB3 ARG A 178 -9.267 -60.045 -60.190 1.00 73.44 H new ATOM 0 HG2 ARG A 178 -6.915 -60.438 -59.499 1.00 23.23 H new ATOM 0 HG3 ARG A 178 -7.449 -61.024 -57.936 1.00 23.23 H new ATOM 0 HD2 ARG A 178 -8.699 -62.879 -59.025 1.00 61.32 H new ATOM 0 HD3 ARG A 178 -8.261 -62.272 -60.610 1.00 61.32 H new ATOM 0 HE ARG A 178 -5.833 -62.674 -59.208 1.00 43.12 H new ATOM 0 HH11 ARG A 178 -8.535 -64.686 -60.329 1.00 33.23 H new ATOM 0 HH12 ARG A 178 -7.515 -66.109 -60.564 1.00 33.23 H new ATOM 0 HH21 ARG A 178 -4.540 -64.494 -59.555 1.00 63.23 H new ATOM 0 HH22 ARG A 178 -5.263 -66.001 -60.127 1.00 63.23 H new ATOM 79 N GLN A 179 -10.272 -57.133 -59.785 1.00 24.00 N ATOM 80 CA GLN A 179 -11.468 -56.479 -60.310 1.00 3.32 C ATOM 81 C GLN A 179 -11.316 -56.410 -61.834 1.00 35.51 C ATOM 82 O GLN A 179 -11.696 -57.362 -62.511 1.00 2.32 O ATOM 83 CB GLN A 179 -11.684 -55.093 -59.663 1.00 52.52 C ATOM 84 CG GLN A 179 -12.025 -55.147 -58.164 1.00 55.30 C ATOM 85 CD GLN A 179 -12.202 -53.751 -57.575 1.00 71.53 C ATOM 86 OE1 GLN A 179 -11.356 -52.886 -57.763 1.00 14.25 O ATOM 87 NE2 GLN A 179 -13.280 -53.509 -56.840 1.00 3.14 N ATOM 0 H GLN A 179 -9.421 -56.863 -60.278 1.00 24.00 H new ATOM 0 HA GLN A 179 -12.364 -57.048 -60.062 1.00 3.32 H new ATOM 0 HB2 GLN A 179 -10.782 -54.496 -59.798 1.00 52.52 H new ATOM 0 HB3 GLN A 179 -12.488 -54.579 -60.190 1.00 52.52 H new ATOM 0 HG2 GLN A 179 -12.940 -55.722 -58.019 1.00 55.30 H new ATOM 0 HG3 GLN A 179 -11.232 -55.670 -57.629 1.00 55.30 H new ATOM 0 HE21 GLN A 179 -13.974 -54.243 -56.695 1.00 3.14 H new ATOM 0 HE22 GLN A 179 -13.415 -52.589 -56.420 1.00 3.14 H new ATOM 96 N ARG A 180 -10.636 -55.375 -62.352 1.00 65.05 N ATOM 97 CA ARG A 180 -10.707 -54.849 -63.728 1.00 64.25 C ATOM 98 C ARG A 180 -12.007 -54.054 -63.909 1.00 43.03 C ATOM 99 O ARG A 180 -12.797 -53.928 -62.978 1.00 61.12 O ATOM 100 CB ARG A 180 -10.553 -55.917 -64.839 1.00 54.40 C ATOM 101 CG ARG A 180 -9.244 -56.718 -64.804 1.00 40.31 C ATOM 102 CD ARG A 180 -9.260 -57.721 -65.967 1.00 25.33 C ATOM 103 NE ARG A 180 -7.938 -58.327 -66.211 1.00 63.12 N ATOM 104 CZ ARG A 180 -7.659 -59.204 -67.187 1.00 4.44 C ATOM 105 NH1 ARG A 180 -8.627 -59.662 -67.980 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 -6.406 -59.620 -67.366 1.00 74.54 N ATOM 0 H ARG A 180 -9.976 -54.846 -61.782 1.00 65.05 H new ATOM 0 HA ARG A 180 -9.842 -54.196 -63.849 1.00 64.25 H new ATOM 0 HB2 ARG A 180 -11.388 -56.614 -64.768 1.00 54.40 H new ATOM 0 HB3 ARG A 180 -10.632 -55.423 -65.808 1.00 54.40 H new ATOM 0 HG2 ARG A 180 -8.388 -56.049 -64.891 1.00 40.31 H new ATOM 0 HG3 ARG A 180 -9.144 -57.241 -63.853 1.00 40.31 H new ATOM 0 HD2 ARG A 180 -9.983 -58.508 -65.753 1.00 25.33 H new ATOM 0 HD3 ARG A 180 -9.597 -57.216 -66.873 1.00 25.33 H new ATOM 0 HE ARG A 180 -7.176 -58.058 -65.589 1.00 63.12 H new ATOM 0 HH11 ARG A 180 -9.588 -59.346 -67.847 1.00 33.41 H new ATOM 0 HH12 ARG A 180 -8.407 -60.329 -68.720 1.00 33.41 H new ATOM 0 HH21 ARG A 180 -5.662 -59.272 -66.762 1.00 74.54 H new ATOM 0 HH22 ARG A 180 -6.191 -60.287 -68.107 1.00 74.54 H new ATOM 120 N LEU A 181 -12.180 -53.486 -65.100 1.00 42.44 N ATOM 121 CA LEU A 181 -13.324 -52.731 -65.592 1.00 73.23 C ATOM 122 C LEU A 181 -13.523 -53.130 -67.055 1.00 71.21 C ATOM 123 O LEU A 181 -12.653 -53.797 -67.624 1.00 74.14 O ATOM 124 CB LEU A 181 -13.108 -51.211 -65.401 1.00 33.22 C ATOM 125 CG LEU A 181 -12.036 -50.451 -66.229 1.00 33.35 C ATOM 126 CD1 LEU A 181 -10.634 -51.073 -66.174 1.00 5.21 C ATOM 127 CD2 LEU A 181 -12.418 -50.209 -67.694 1.00 70.12 C ATOM 0 H LEU A 181 -11.451 -53.551 -65.811 1.00 42.44 H new ATOM 0 HA LEU A 181 -14.228 -52.962 -65.029 1.00 73.23 H new ATOM 0 HB2 LEU A 181 -14.065 -50.725 -65.592 1.00 33.22 H new ATOM 0 HB3 LEU A 181 -12.873 -51.050 -64.349 1.00 33.22 H new ATOM 0 HG LEU A 181 -12.002 -49.486 -65.723 1.00 33.35 H new ATOM 0 HD11 LEU A 181 -9.949 -50.480 -66.779 1.00 5.21 H new ATOM 0 HD12 LEU A 181 -10.284 -51.091 -65.142 1.00 5.21 H new ATOM 0 HD13 LEU A 181 -10.672 -52.091 -66.562 1.00 5.21 H new ATOM 0 HD21 LEU A 181 -11.613 -49.673 -68.196 1.00 70.12 H new ATOM 0 HD22 LEU A 181 -12.582 -51.166 -68.190 1.00 70.12 H new ATOM 0 HD23 LEU A 181 -13.332 -49.616 -67.739 1.00 70.12 H new ATOM 139 N GLN A 182 -14.629 -52.713 -67.672 1.00 62.31 N ATOM 140 CA GLN A 182 -14.905 -52.938 -69.083 1.00 40.10 C ATOM 141 C GLN A 182 -15.649 -51.714 -69.620 1.00 63.11 C ATOM 142 O GLN A 182 -16.875 -51.703 -69.686 1.00 12.30 O ATOM 143 CB GLN A 182 -15.683 -54.252 -69.268 1.00 72.53 C ATOM 144 CG GLN A 182 -15.983 -54.570 -70.746 1.00 23.40 C ATOM 145 CD GLN A 182 -17.454 -54.904 -70.976 1.00 41.05 C ATOM 146 OE1 GLN A 182 -17.799 -56.026 -71.321 1.00 54.13 O ATOM 147 NE2 GLN A 182 -18.347 -53.944 -70.795 1.00 22.23 N ATOM 0 H GLN A 182 -15.369 -52.200 -67.192 1.00 62.31 H new ATOM 0 HA GLN A 182 -13.984 -53.053 -69.655 1.00 40.10 H new ATOM 0 HB2 GLN A 182 -15.110 -55.072 -68.835 1.00 72.53 H new ATOM 0 HB3 GLN A 182 -16.622 -54.193 -68.717 1.00 72.53 H new ATOM 0 HG2 GLN A 182 -15.705 -53.716 -71.363 1.00 23.40 H new ATOM 0 HG3 GLN A 182 -15.367 -55.410 -71.068 1.00 23.40 H new ATOM 0 HE21 GLN A 182 -18.044 -53.013 -70.507 1.00 22.23 H new ATOM 0 HE22 GLN A 182 -19.338 -54.135 -70.943 1.00 22.23 H new ATOM 156 N ASP A 183 -14.880 -50.709 -70.026 1.00 20.03 N ATOM 157 CA ASP A 183 -15.298 -49.517 -70.767 1.00 43.12 C ATOM 158 C ASP A 183 -14.583 -49.519 -72.114 1.00 32.23 C ATOM 159 O ASP A 183 -14.596 -48.561 -72.869 1.00 34.24 O ATOM 160 CB ASP A 183 -15.026 -48.252 -69.937 1.00 20.31 C ATOM 161 CG ASP A 183 -15.684 -46.995 -70.521 1.00 12.13 C ATOM 162 OD1 ASP A 183 -16.879 -47.076 -70.882 1.00 23.45 O1- ATOM 163 OD2 ASP A 183 -15.026 -45.932 -70.494 1.00 22.45 O ATOM 0 H ASP A 183 -13.878 -50.702 -69.834 1.00 20.03 H new ATOM 0 HA ASP A 183 -16.372 -49.526 -70.955 1.00 43.12 H new ATOM 0 HB2 ASP A 183 -15.390 -48.406 -68.921 1.00 20.31 H new ATOM 0 HB3 ASP A 183 -13.950 -48.093 -69.870 1.00 20.31 H new ATOM 168 N THR A 184 -13.995 -50.661 -72.473 1.00 51.30 N ATOM 169 CA THR A 184 -13.308 -50.896 -73.727 1.00 22.11 C ATOM 170 C THR A 184 -14.265 -50.941 -74.929 1.00 53.13 C ATOM 171 O THR A 184 -13.856 -51.284 -76.035 1.00 71.31 O ATOM 172 CB THR A 184 -12.500 -52.200 -73.572 1.00 3.31 C ATOM 173 OG1 THR A 184 -13.318 -53.227 -73.026 1.00 25.41 O ATOM 174 CG2 THR A 184 -11.321 -52.025 -72.608 1.00 51.10 C ATOM 0 H THR A 184 -13.989 -51.479 -71.864 1.00 51.30 H new ATOM 0 HA THR A 184 -12.639 -50.063 -73.942 1.00 22.11 H new ATOM 0 HB THR A 184 -12.140 -52.459 -74.567 1.00 3.31 H new ATOM 0 HG1 THR A 184 -12.793 -54.049 -72.935 1.00 25.41 H new ATOM 0 HG21 THR A 184 -10.776 -52.965 -72.525 1.00 51.10 H new ATOM 0 HG22 THR A 184 -10.653 -51.251 -72.986 1.00 51.10 H new ATOM 0 HG23 THR A 184 -11.694 -51.734 -71.626 1.00 51.10 H new ATOM 182 N VAL A 185 -15.544 -50.655 -74.697 1.00 43.51 N ATOM 183 CA VAL A 185 -16.599 -50.551 -75.699 1.00 73.04 C ATOM 184 C VAL A 185 -17.521 -49.359 -75.365 1.00 11.42 C ATOM 185 O VAL A 185 -18.638 -49.265 -75.868 1.00 54.52 O ATOM 186 CB VAL A 185 -17.280 -51.934 -75.813 1.00 23.54 C ATOM 187 CG1 VAL A 185 -18.120 -52.312 -74.580 1.00 72.43 C ATOM 188 CG2 VAL A 185 -18.093 -52.111 -77.104 1.00 23.12 C ATOM 0 H VAL A 185 -15.890 -50.480 -73.753 1.00 43.51 H new ATOM 0 HA VAL A 185 -16.221 -50.318 -76.695 1.00 73.04 H new ATOM 0 HB VAL A 185 -16.447 -52.635 -75.858 1.00 23.54 H new ATOM 0 HG11 VAL A 185 -18.567 -53.294 -74.732 1.00 72.43 H new ATOM 0 HG12 VAL A 185 -17.480 -52.337 -73.698 1.00 72.43 H new ATOM 0 HG13 VAL A 185 -18.908 -51.573 -74.436 1.00 72.43 H new ATOM 0 HG21 VAL A 185 -18.543 -53.104 -77.117 1.00 23.12 H new ATOM 0 HG22 VAL A 185 -18.878 -51.356 -77.146 1.00 23.12 H new ATOM 0 HG23 VAL A 185 -17.436 -51.999 -77.966 1.00 23.12 H new ATOM 198 N GLY A 186 -17.062 -48.462 -74.490 1.00 64.11 N ATOM 199 CA GLY A 186 -17.773 -47.297 -73.998 1.00 14.24 C ATOM 200 C GLY A 186 -16.830 -46.098 -73.969 1.00 62.45 C ATOM 201 O GLY A 186 -15.825 -46.075 -74.684 1.00 21.23 O ATOM 0 H GLY A 186 -16.128 -48.541 -74.087 1.00 64.11 H new ATOM 0 HA2 GLY A 186 -18.629 -47.084 -74.638 1.00 14.24 H new ATOM 0 HA3 GLY A 186 -18.162 -47.491 -72.998 1.00 14.24 H new ATOM 205 N LEU A 187 -17.211 -45.065 -73.217 1.00 72.41 N ATOM 206 CA LEU A 187 -16.403 -43.895 -72.919 1.00 12.03 C ATOM 207 C LEU A 187 -16.985 -43.271 -71.652 1.00 61.21 C ATOM 208 O LEU A 187 -18.047 -42.646 -71.711 1.00 12.43 O ATOM 209 CB LEU A 187 -16.426 -42.923 -74.116 1.00 63.55 C ATOM 210 CG LEU A 187 -15.409 -41.768 -73.998 1.00 32.34 C ATOM 211 CD1 LEU A 187 -15.042 -41.260 -75.400 1.00 15.23 C ATOM 212 CD2 LEU A 187 -15.936 -40.571 -73.193 1.00 11.21 C ATOM 0 H LEU A 187 -18.133 -45.025 -72.783 1.00 72.41 H new ATOM 0 HA LEU A 187 -15.357 -44.152 -72.752 1.00 12.03 H new ATOM 0 HB2 LEU A 187 -16.223 -43.481 -75.030 1.00 63.55 H new ATOM 0 HB3 LEU A 187 -17.428 -42.505 -74.213 1.00 63.55 H new ATOM 0 HG LEU A 187 -14.546 -42.177 -73.472 1.00 32.34 H new ATOM 0 HD11 LEU A 187 -14.324 -40.444 -75.315 1.00 15.23 H new ATOM 0 HD12 LEU A 187 -14.602 -42.073 -75.978 1.00 15.23 H new ATOM 0 HD13 LEU A 187 -15.940 -40.902 -75.904 1.00 15.23 H new ATOM 0 HD21 LEU A 187 -15.171 -39.796 -73.150 1.00 11.21 H new ATOM 0 HD22 LEU A 187 -16.829 -40.173 -73.675 1.00 11.21 H new ATOM 0 HD23 LEU A 187 -16.183 -40.893 -72.182 1.00 11.21 H new ATOM 674 N MET A 214 -11.149 -1.842 -10.399 1.00 0.24 N ATOM 675 CA MET A 214 -11.483 -2.772 -9.326 1.00 32.05 C ATOM 676 C MET A 214 -10.403 -2.768 -8.229 1.00 23.33 C ATOM 677 O MET A 214 -10.108 -3.814 -7.661 1.00 53.34 O ATOM 678 CB MET A 214 -11.817 -4.163 -9.913 1.00 13.22 C ATOM 679 CG MET A 214 -13.239 -4.312 -10.458 1.00 41.51 C ATOM 680 SD MET A 214 -14.521 -4.266 -9.176 1.00 21.51 S ATOM 681 CE MET A 214 -15.880 -5.052 -10.073 1.00 63.42 C ATOM 0 HA MET A 214 -12.388 -2.443 -8.816 1.00 32.05 H new ATOM 0 HB2 MET A 214 -11.112 -4.381 -10.715 1.00 13.22 H new ATOM 0 HB3 MET A 214 -11.660 -4.914 -9.139 1.00 13.22 H new ATOM 0 HG2 MET A 214 -13.428 -3.515 -11.177 1.00 41.51 H new ATOM 0 HG3 MET A 214 -13.314 -5.255 -11.000 1.00 41.51 H new ATOM 0 HE1 MET A 214 -16.758 -5.107 -9.429 1.00 63.42 H new ATOM 0 HE2 MET A 214 -16.117 -4.466 -10.961 1.00 63.42 H new ATOM 0 HE3 MET A 214 -15.585 -6.058 -10.371 1.00 63.42 H new ATOM 691 N LEU A 215 -9.744 -1.633 -7.962 1.00 34.21 N ATOM 692 CA LEU A 215 -8.603 -1.544 -7.044 1.00 73.12 C ATOM 693 C LEU A 215 -9.052 -1.190 -5.628 1.00 63.53 C ATOM 694 O LEU A 215 -8.454 -1.682 -4.675 1.00 4.22 O ATOM 695 CB LEU A 215 -7.505 -0.607 -7.601 1.00 11.32 C ATOM 696 CG LEU A 215 -7.381 0.812 -6.997 1.00 5.51 C ATOM 697 CD1 LEU A 215 -6.557 0.866 -5.699 1.00 20.01 C ATOM 698 CD2 LEU A 215 -6.706 1.746 -8.004 1.00 75.40 C ATOM 0 H LEU A 215 -9.993 -0.738 -8.384 1.00 34.21 H new ATOM 0 HA LEU A 215 -8.144 -2.530 -6.970 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -6.545 -1.108 -7.476 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -7.671 -0.500 -8.673 1.00 11.32 H new ATOM 0 HG LEU A 215 -8.400 1.121 -6.764 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -6.515 1.893 -5.337 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -7.025 0.234 -4.944 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -5.546 0.509 -5.895 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -6.621 2.744 -7.574 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -5.712 1.367 -8.242 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -7.304 1.793 -8.914 1.00 75.40 H new ATOM 710 N GLU A 216 -10.120 -0.404 -5.467 1.00 42.34 N ATOM 711 CA GLU A 216 -10.618 0.010 -4.147 1.00 21.22 C ATOM 712 C GLU A 216 -11.778 -0.878 -3.652 1.00 61.20 C ATOM 713 O GLU A 216 -12.344 -0.652 -2.584 1.00 11.33 O ATOM 714 CB GLU A 216 -11.038 1.496 -4.167 1.00 25.21 C ATOM 715 CG GLU A 216 -9.875 2.478 -4.426 1.00 54.02 C ATOM 716 CD GLU A 216 -9.854 3.127 -5.822 1.00 1.13 C ATOM 717 OE1 GLU A 216 -10.483 2.586 -6.762 1.00 13.22 O ATOM 718 OE2 GLU A 216 -9.134 4.136 -5.970 1.00 44.35 O1- ATOM 0 H GLU A 216 -10.665 -0.035 -6.246 1.00 42.34 H new ATOM 0 HA GLU A 216 -9.797 -0.116 -3.441 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -11.797 1.637 -4.937 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -11.502 1.744 -3.213 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -9.917 3.269 -3.677 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -8.935 1.948 -4.277 1.00 54.02 H new ATOM 725 N LYS A 217 -12.155 -1.904 -4.417 1.00 71.23 N ATOM 726 CA LYS A 217 -13.396 -2.674 -4.266 1.00 24.12 C ATOM 727 C LYS A 217 -13.252 -3.789 -3.225 1.00 41.53 C ATOM 728 O LYS A 217 -13.547 -4.953 -3.495 1.00 65.12 O ATOM 729 CB LYS A 217 -13.857 -3.137 -5.671 1.00 63.53 C ATOM 730 CG LYS A 217 -14.941 -2.207 -6.252 1.00 33.31 C ATOM 731 CD LYS A 217 -16.336 -2.844 -6.144 1.00 21.23 C ATOM 732 CE LYS A 217 -17.435 -1.862 -6.573 1.00 11.23 C ATOM 733 NZ LYS A 217 -18.688 -2.559 -6.939 1.00 34.23 N1+ ATOM 0 H LYS A 217 -11.581 -2.237 -5.192 1.00 71.23 H new ATOM 0 HA LYS A 217 -14.192 -2.051 -3.857 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -13.001 -3.163 -6.345 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -14.245 -4.154 -5.610 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -14.931 -1.256 -5.720 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -14.717 -1.991 -7.297 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -16.379 -3.736 -6.768 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -16.513 -3.164 -5.117 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -17.633 -1.162 -5.761 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -17.085 -1.275 -7.422 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -19.404 -1.860 -7.223 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -18.506 -3.208 -7.731 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -19.036 -3.099 -6.121 1.00 34.23 H new ATOM 747 N CYS A 218 -12.793 -3.433 -2.025 1.00 72.34 N ATOM 748 CA CYS A 218 -12.468 -4.366 -0.960 1.00 52.25 C ATOM 749 C CYS A 218 -13.377 -4.109 0.250 1.00 53.24 C ATOM 750 O CYS A 218 -12.986 -3.366 1.145 1.00 3.44 O ATOM 751 CB CYS A 218 -10.977 -4.238 -0.641 1.00 41.44 C ATOM 752 SG CYS A 218 -10.458 -5.726 0.261 1.00 24.22 S ATOM 0 H CYS A 218 -12.635 -2.459 -1.766 1.00 72.34 H new ATOM 0 HA CYS A 218 -12.651 -5.397 -1.264 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -10.400 -4.130 -1.559 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -10.792 -3.347 -0.042 1.00 41.44 H new ATOM 0 HG CYS A 218 -9.194 -5.638 0.552 1.00 24.22 H new ATOM 758 N PRO A 219 -14.594 -4.681 0.301 1.00 2.24 N ATOM 759 CA PRO A 219 -15.536 -4.444 1.397 1.00 23.03 C ATOM 760 C PRO A 219 -15.212 -5.228 2.682 1.00 53.55 C ATOM 761 O PRO A 219 -15.942 -5.102 3.665 1.00 51.44 O ATOM 762 CB PRO A 219 -16.903 -4.848 0.831 1.00 13.32 C ATOM 763 CG PRO A 219 -16.556 -5.966 -0.150 1.00 34.20 C ATOM 764 CD PRO A 219 -15.222 -5.498 -0.732 1.00 63.34 C ATOM 0 HA PRO A 219 -15.494 -3.402 1.713 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -17.577 -5.194 1.614 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -17.396 -4.013 0.333 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -16.464 -6.930 0.350 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -17.318 -6.079 -0.922 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -14.591 -6.348 -0.994 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -15.376 -4.922 -1.645 1.00 63.34 H new ATOM 772 N PHE A 220 -14.200 -6.107 2.692 1.00 52.33 N ATOM 773 CA PHE A 220 -13.942 -6.949 3.847 1.00 13.33 C ATOM 774 C PHE A 220 -13.531 -6.082 5.050 1.00 31.11 C ATOM 775 O PHE A 220 -12.759 -5.135 4.891 1.00 61.21 O ATOM 776 CB PHE A 220 -12.834 -7.963 3.530 1.00 12.53 C ATOM 777 CG PHE A 220 -13.182 -8.982 2.460 1.00 53.04 C ATOM 778 CD1 PHE A 220 -14.140 -9.981 2.723 1.00 43.24 C ATOM 779 CD2 PHE A 220 -12.540 -8.950 1.207 1.00 11.32 C ATOM 780 CE1 PHE A 220 -14.462 -10.931 1.737 1.00 24.41 C ATOM 781 CE2 PHE A 220 -12.863 -9.898 0.221 1.00 35.04 C ATOM 782 CZ PHE A 220 -13.828 -10.886 0.482 1.00 24.35 C ATOM 0 H PHE A 220 -13.556 -6.246 1.914 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.854 -7.492 4.094 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -11.944 -7.419 3.216 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.576 -8.494 4.446 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -14.629 -10.017 3.685 1.00 43.24 H new ATOM 0 HD2 PHE A 220 -11.796 -8.194 1.003 1.00 11.32 H new ATOM 0 HE1 PHE A 220 -15.196 -11.695 1.944 1.00 24.41 H new ATOM 0 HE2 PHE A 220 -12.369 -9.867 -0.739 1.00 35.04 H new ATOM 0 HZ PHE A 220 -14.082 -11.609 -0.279 1.00 24.35 H new ATOM 792 N PRO A 221 -13.942 -6.458 6.272 1.00 52.42 N ATOM 793 CA PRO A 221 -13.583 -5.747 7.485 1.00 64.02 C ATOM 794 C PRO A 221 -12.078 -5.863 7.738 1.00 52.52 C ATOM 795 O PRO A 221 -11.524 -6.970 7.774 1.00 61.24 O ATOM 796 CB PRO A 221 -14.437 -6.360 8.602 1.00 3.32 C ATOM 797 CG PRO A 221 -14.832 -7.738 8.070 1.00 31.34 C ATOM 798 CD PRO A 221 -14.853 -7.550 6.554 1.00 13.23 C ATOM 0 HA PRO A 221 -13.782 -4.677 7.421 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -13.875 -6.440 9.533 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -15.315 -5.749 8.811 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -14.115 -8.503 8.369 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -15.806 -8.049 8.448 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -14.539 -8.461 6.044 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -15.859 -7.319 6.204 1.00 13.23 H new ATOM 806 N ALA A 222 -11.431 -4.707 7.915 1.00 15.10 N ATOM 807 CA ALA A 222 -10.015 -4.579 8.219 1.00 33.50 C ATOM 808 C ALA A 222 -9.644 -5.472 9.401 1.00 45.31 C ATOM 809 O ALA A 222 -10.352 -5.519 10.404 1.00 5.14 O ATOM 810 CB ALA A 222 -9.686 -3.110 8.512 1.00 54.51 C ATOM 0 H ALA A 222 -11.903 -3.805 7.847 1.00 15.10 H new ATOM 0 HA ALA A 222 -9.428 -4.903 7.360 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -8.625 -3.013 8.740 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -9.927 -2.502 7.640 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -10.273 -2.769 9.365 1.00 54.51 H new ATOM 816 N GLY A 223 -8.525 -6.178 9.253 1.00 72.54 N ATOM 817 CA GLY A 223 -8.047 -7.174 10.195 1.00 54.34 C ATOM 818 C GLY A 223 -8.397 -8.595 9.754 1.00 13.20 C ATOM 819 O GLY A 223 -7.770 -9.545 10.216 1.00 13.51 O ATOM 0 H GLY A 223 -7.910 -6.065 8.447 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -6.966 -7.083 10.301 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -8.481 -6.982 11.176 1.00 54.34 H new ATOM 823 N SER A 224 -9.346 -8.763 8.829 1.00 12.10 N ATOM 824 CA SER A 224 -9.497 -10.025 8.125 1.00 32.34 C ATOM 825 C SER A 224 -8.331 -10.188 7.150 1.00 62.33 C ATOM 826 O SER A 224 -8.050 -9.261 6.386 1.00 52.54 O ATOM 827 CB SER A 224 -10.814 -10.081 7.381 1.00 2.20 C ATOM 828 OG SER A 224 -11.898 -9.702 8.200 1.00 61.34 O ATOM 0 H SER A 224 -10.014 -8.042 8.556 1.00 12.10 H new ATOM 0 HA SER A 224 -9.493 -10.839 8.849 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.768 -9.424 6.512 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.977 -11.092 7.008 1.00 2.20 H new ATOM 0 HG SER A 224 -11.963 -8.724 8.224 1.00 61.34 H new ATOM 834 N ASP A 225 -7.763 -11.398 7.080 1.00 61.25 N ATOM 835 CA ASP A 225 -6.846 -11.820 6.012 1.00 53.22 C ATOM 836 C ASP A 225 -7.391 -11.394 4.659 1.00 11.51 C ATOM 837 O ASP A 225 -6.675 -10.776 3.878 1.00 20.21 O ATOM 838 CB ASP A 225 -6.675 -13.346 6.013 1.00 65.42 C ATOM 839 CG ASP A 225 -6.145 -13.886 4.672 1.00 1.12 C ATOM 840 OD1 ASP A 225 -4.916 -13.967 4.491 1.00 40.32 O ATOM 841 OD2 ASP A 225 -6.991 -14.283 3.834 1.00 54.24 O1- ATOM 0 H ASP A 225 -7.930 -12.125 7.776 1.00 61.25 H new ATOM 0 HA ASP A 225 -5.880 -11.348 6.193 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -5.989 -13.630 6.811 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -7.634 -13.815 6.235 1.00 65.42 H new ATOM 846 N LEU A 226 -8.678 -11.665 4.420 1.00 65.13 N ATOM 847 CA LEU A 226 -9.318 -11.468 3.133 1.00 13.44 C ATOM 848 C LEU A 226 -9.164 -10.030 2.637 1.00 72.23 C ATOM 849 O LEU A 226 -8.998 -9.839 1.438 1.00 44.25 O ATOM 850 CB LEU A 226 -10.809 -11.850 3.190 1.00 21.33 C ATOM 851 CG LEU A 226 -11.097 -13.313 3.589 1.00 42.04 C ATOM 852 CD1 LEU A 226 -12.611 -13.531 3.683 1.00 2.14 C ATOM 853 CD2 LEU A 226 -10.501 -14.325 2.601 1.00 31.03 C ATOM 0 H LEU A 226 -9.307 -12.033 5.133 1.00 65.13 H new ATOM 0 HA LEU A 226 -8.814 -12.126 2.425 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.310 -11.191 3.900 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.253 -11.662 2.213 1.00 21.33 H new ATOM 0 HG LEU A 226 -10.622 -13.481 4.556 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -12.813 -14.564 3.965 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -13.029 -12.862 4.435 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -13.069 -13.322 2.716 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -10.735 -15.337 2.932 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -10.925 -14.160 1.611 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -9.419 -14.198 2.558 1.00 31.03 H new ATOM 865 N ALA A 227 -9.174 -9.028 3.525 1.00 33.13 N ATOM 866 CA ALA A 227 -9.025 -7.630 3.135 1.00 31.51 C ATOM 867 C ALA A 227 -7.654 -7.386 2.496 1.00 61.32 C ATOM 868 O ALA A 227 -7.550 -6.733 1.458 1.00 1.22 O ATOM 869 CB ALA A 227 -9.228 -6.722 4.357 1.00 20.11 C ATOM 0 H ALA A 227 -9.285 -9.168 4.529 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.785 -7.391 2.392 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -9.115 -5.680 4.059 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -10.227 -6.877 4.763 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.485 -6.964 5.117 1.00 20.11 H new ATOM 875 N GLN A 228 -6.599 -7.912 3.119 1.00 2.11 N ATOM 876 CA GLN A 228 -5.229 -7.800 2.637 1.00 62.54 C ATOM 877 C GLN A 228 -5.042 -8.704 1.417 1.00 60.13 C ATOM 878 O GLN A 228 -4.593 -8.254 0.360 1.00 43.54 O ATOM 879 CB GLN A 228 -4.259 -8.172 3.773 1.00 74.33 C ATOM 880 CG GLN A 228 -4.251 -7.103 4.880 1.00 13.33 C ATOM 881 CD GLN A 228 -3.496 -7.543 6.134 1.00 64.54 C ATOM 882 OE1 GLN A 228 -4.023 -7.483 7.233 1.00 5.12 O ATOM 883 NE2 GLN A 228 -2.247 -7.969 6.015 1.00 5.01 N ATOM 0 H GLN A 228 -6.678 -8.437 3.990 1.00 2.11 H new ATOM 0 HA GLN A 228 -5.017 -6.775 2.331 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.546 -9.134 4.197 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -3.253 -8.288 3.370 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -3.798 -6.191 4.492 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -5.279 -6.859 5.149 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -1.810 -8.018 5.095 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -1.722 -8.248 6.844 1.00 5.01 H new ATOM 892 N LYS A 229 -5.393 -9.984 1.547 1.00 14.24 N ATOM 893 CA LYS A 229 -5.206 -11.008 0.530 1.00 61.11 C ATOM 894 C LYS A 229 -5.967 -10.673 -0.746 1.00 50.14 C ATOM 895 O LYS A 229 -5.545 -11.087 -1.819 1.00 20.33 O ATOM 896 CB LYS A 229 -5.629 -12.372 1.105 1.00 43.15 C ATOM 897 CG LYS A 229 -5.032 -13.534 0.293 1.00 65.30 C ATOM 898 CD LYS A 229 -5.542 -14.906 0.741 1.00 2.11 C ATOM 899 CE LYS A 229 -7.031 -15.084 0.423 1.00 22.04 C ATOM 900 NZ LYS A 229 -7.464 -16.484 0.598 1.00 4.21 N1+ ATOM 0 H LYS A 229 -5.830 -10.344 2.395 1.00 14.24 H new ATOM 0 HA LYS A 229 -4.152 -11.052 0.256 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -5.305 -12.447 2.143 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -6.716 -12.447 1.105 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -5.269 -13.392 -0.761 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -3.946 -13.510 0.381 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -4.967 -15.688 0.246 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -5.381 -15.023 1.813 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -7.621 -14.437 1.072 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -7.224 -14.769 -0.602 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -8.476 -16.565 0.374 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -6.918 -17.098 -0.039 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -7.303 -16.777 1.583 1.00 4.21 H new ATOM 914 N TRP A 230 -7.061 -9.918 -0.702 1.00 13.20 N ATOM 915 CA TRP A 230 -7.772 -9.501 -1.904 1.00 72.33 C ATOM 916 C TRP A 230 -6.898 -8.607 -2.807 1.00 31.00 C ATOM 917 O TRP A 230 -7.053 -8.647 -4.026 1.00 23.12 O ATOM 918 CB TRP A 230 -9.083 -8.840 -1.473 1.00 34.15 C ATOM 919 CG TRP A 230 -9.908 -8.252 -2.562 1.00 61.20 C ATOM 920 CD1 TRP A 230 -10.922 -8.849 -3.227 1.00 14.12 C ATOM 921 CD2 TRP A 230 -9.765 -6.932 -3.141 1.00 53.24 C ATOM 922 NE1 TRP A 230 -11.439 -7.969 -4.158 1.00 24.03 N ATOM 923 CE2 TRP A 230 -10.755 -6.770 -4.148 1.00 13.24 C ATOM 924 CE3 TRP A 230 -8.865 -5.874 -2.918 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -10.840 -5.600 -4.913 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -8.941 -4.695 -3.675 1.00 33.44 C ATOM 927 CH2 TRP A 230 -9.932 -4.561 -4.661 1.00 4.35 C ATOM 0 H TRP A 230 -7.478 -9.580 0.165 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.008 -10.366 -2.525 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -9.685 -9.582 -0.949 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -8.851 -8.053 -0.755 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.273 -9.856 -3.057 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -12.225 -8.178 -4.774 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -8.107 -5.970 -2.155 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -11.591 -5.500 -5.683 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -8.239 -3.893 -3.500 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -9.996 -3.647 -5.232 1.00 4.35 H new ATOM 938 N HIS A 231 -5.913 -7.867 -2.272 1.00 41.52 N ATOM 939 CA HIS A 231 -4.998 -7.059 -3.092 1.00 44.11 C ATOM 940 C HIS A 231 -4.049 -7.928 -3.942 1.00 62.42 C ATOM 941 O HIS A 231 -3.388 -7.411 -4.842 1.00 2.10 O ATOM 942 CB HIS A 231 -4.237 -6.047 -2.217 1.00 73.30 C ATOM 943 CG HIS A 231 -3.860 -4.781 -2.962 1.00 1.23 C ATOM 944 ND1 HIS A 231 -4.533 -3.577 -2.907 1.00 54.43 N ATOM 945 CD2 HIS A 231 -2.810 -4.622 -3.826 1.00 54.44 C ATOM 946 CE1 HIS A 231 -3.888 -2.711 -3.709 1.00 44.02 C ATOM 947 NE2 HIS A 231 -2.835 -3.303 -4.302 1.00 72.12 N ATOM 0 H HIS A 231 -5.730 -7.812 -1.270 1.00 41.52 H new ATOM 0 HA HIS A 231 -5.601 -6.495 -3.804 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -4.852 -5.785 -1.356 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -3.333 -6.517 -1.831 1.00 73.30 H new ATOM 0 HD1 HIS A 231 -5.369 -3.380 -2.357 1.00 54.43 H new ATOM 0 HD2 HIS A 231 -2.089 -5.380 -4.094 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -4.176 -1.681 -3.857 1.00 44.02 H new ATOM 955 N LEU A 232 -4.013 -9.249 -3.723 1.00 43.21 N ATOM 956 CA LEU A 232 -3.433 -10.229 -4.647 1.00 54.14 C ATOM 957 C LEU A 232 -4.104 -10.125 -6.018 1.00 63.01 C ATOM 958 O LEU A 232 -3.443 -10.269 -7.042 1.00 33.14 O ATOM 959 CB LEU A 232 -3.636 -11.625 -4.033 1.00 63.34 C ATOM 960 CG LEU A 232 -3.079 -12.853 -4.775 1.00 62.14 C ATOM 961 CD1 LEU A 232 -2.930 -13.989 -3.752 1.00 23.25 C ATOM 962 CD2 LEU A 232 -4.035 -13.365 -5.864 1.00 64.32 C ATOM 0 H LEU A 232 -4.396 -9.674 -2.879 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.369 -10.041 -4.793 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -3.194 -11.614 -3.037 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -4.708 -11.776 -3.905 1.00 63.34 H new ATOM 0 HG LEU A 232 -2.138 -12.561 -5.241 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -2.536 -14.876 -4.248 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -2.245 -13.680 -2.963 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -3.903 -14.218 -3.318 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -3.594 -14.232 -6.357 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -4.985 -13.649 -5.410 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -4.205 -12.578 -6.598 1.00 64.32 H new ATOM 974 N ILE A 233 -5.420 -9.903 -6.028 1.00 20.31 N ATOM 975 CA ILE A 233 -6.246 -9.868 -7.225 1.00 12.23 C ATOM 976 C ILE A 233 -6.290 -8.434 -7.756 1.00 33.40 C ATOM 977 O ILE A 233 -6.119 -8.234 -8.960 1.00 73.01 O ATOM 978 CB ILE A 233 -7.661 -10.394 -6.900 1.00 31.24 C ATOM 979 CG1 ILE A 233 -7.663 -11.773 -6.197 1.00 41.21 C ATOM 980 CG2 ILE A 233 -8.469 -10.491 -8.202 1.00 11.11 C ATOM 981 CD1 ILE A 233 -8.968 -12.028 -5.437 1.00 1.50 C ATOM 0 H ILE A 233 -5.952 -9.738 -5.173 1.00 20.31 H new ATOM 0 HA ILE A 233 -5.822 -10.511 -7.996 1.00 12.23 H new ATOM 0 HB ILE A 233 -8.110 -9.686 -6.203 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -7.516 -12.558 -6.939 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -6.823 -11.828 -5.504 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -9.470 -10.862 -7.982 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -8.540 -9.505 -8.661 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -7.971 -11.176 -8.889 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -8.926 -13.007 -4.959 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -9.103 -11.259 -4.677 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -9.806 -12.000 -6.133 1.00 1.50 H new ATOM 993 N LYS A 234 -6.464 -7.442 -6.865 1.00 35.12 N ATOM 994 CA LYS A 234 -6.466 -6.016 -7.204 1.00 65.43 C ATOM 995 C LYS A 234 -7.559 -5.704 -8.238 1.00 71.04 C ATOM 996 O LYS A 234 -8.552 -6.431 -8.318 1.00 11.24 O ATOM 997 CB LYS A 234 -5.052 -5.631 -7.669 1.00 41.01 C ATOM 998 CG LYS A 234 -4.711 -4.188 -7.306 1.00 40.11 C ATOM 999 CD LYS A 234 -3.665 -3.645 -8.275 1.00 52.01 C ATOM 1000 CE LYS A 234 -3.109 -2.322 -7.754 1.00 24.13 C ATOM 1001 NZ LYS A 234 -1.828 -2.491 -7.034 1.00 64.53 N1+ ATOM 0 H LYS A 234 -6.610 -7.617 -5.871 1.00 35.12 H new ATOM 0 HA LYS A 234 -6.711 -5.408 -6.333 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -4.324 -6.302 -7.214 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -4.976 -5.762 -8.748 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -5.609 -3.572 -7.343 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -4.334 -4.140 -6.285 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -2.857 -4.367 -8.393 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -4.110 -3.500 -9.260 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -2.965 -1.638 -8.590 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -3.839 -1.862 -7.088 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -1.312 -1.588 -7.027 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -2.016 -2.789 -6.056 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -1.254 -3.214 -7.512 1.00 64.53 H new ATOM 1015 N GLN A 235 -7.421 -4.609 -8.991 1.00 72.02 N ATOM 1016 CA GLN A 235 -8.186 -4.347 -10.202 1.00 11.35 C ATOM 1017 C GLN A 235 -7.777 -5.452 -11.187 1.00 33.24 C ATOM 1018 O GLN A 235 -6.695 -5.353 -11.759 1.00 30.21 O ATOM 1019 CB GLN A 235 -7.842 -2.925 -10.710 1.00 22.32 C ATOM 1020 CG GLN A 235 -8.321 -2.537 -12.118 1.00 50.13 C ATOM 1021 CD GLN A 235 -7.347 -2.909 -13.233 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -6.138 -2.738 -13.105 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -7.856 -3.402 -14.347 1.00 43.20 N ATOM 0 H GLN A 235 -6.758 -3.867 -8.766 1.00 72.02 H new ATOM 0 HA GLN A 235 -9.266 -4.367 -10.055 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -8.258 -2.206 -10.004 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -6.758 -2.811 -10.680 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -9.279 -3.021 -12.310 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -8.496 -1.462 -12.147 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -8.864 -3.536 -14.432 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -7.242 -3.649 -15.123 1.00 43.20 H new