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 214 MET CE :methyl 180:sc= -0.08 (180deg=-0.08) USER MOD Set 1.2: A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 179 GLN : amide:sc= -0.179 K(o=-0.18,f=-6.1!) USER MOD Single : A 182 GLN : amide:sc= 0.973 K(o=0.97,f=0) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0 USER MOD Single : A 218 CYS SG : rot 96:sc= 0.689 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 228 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 229 LYS NZ :NH3+ -142:sc= 0.767 (180deg=-0.726!) USER MOD Single : A 231 HIS : no HE2:sc= -0.265 K(o=-0.26,f=-2.9!) USER MOD Single : A 234 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 GLN : amide:sc= -0.475 K(o=-0.48,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 177 14.616 -23.209 -89.533 1.00 42.40 N ATOM 37 CA LEU A 177 13.996 -23.645 -90.782 1.00 14.14 C ATOM 38 C LEU A 177 13.119 -24.862 -90.466 1.00 25.25 C ATOM 39 O LEU A 177 13.111 -25.321 -89.322 1.00 72.32 O ATOM 40 CB LEU A 177 15.050 -23.972 -91.871 1.00 62.05 C ATOM 41 CG LEU A 177 15.880 -25.269 -91.700 1.00 74.24 C ATOM 42 CD1 LEU A 177 16.682 -25.513 -92.980 1.00 32.31 C ATOM 43 CD2 LEU A 177 16.848 -25.219 -90.512 1.00 21.13 C ATOM 0 HA LEU A 177 13.388 -22.838 -91.192 1.00 14.14 H new ATOM 0 HB2 LEU A 177 14.536 -24.026 -92.831 1.00 62.05 H new ATOM 0 HB3 LEU A 177 15.745 -23.134 -91.929 1.00 62.05 H new ATOM 0 HG LEU A 177 15.175 -26.077 -91.504 1.00 74.24 H new ATOM 0 HD11 LEU A 177 17.271 -26.424 -92.872 1.00 32.31 H new ATOM 0 HD12 LEU A 177 15.999 -25.620 -93.823 1.00 32.31 H new ATOM 0 HD13 LEU A 177 17.348 -24.669 -93.158 1.00 32.31 H new ATOM 0 HD21 LEU A 177 17.397 -26.159 -90.450 1.00 21.13 H new ATOM 0 HD22 LEU A 177 17.550 -24.397 -90.649 1.00 21.13 H new ATOM 0 HD23 LEU A 177 16.286 -25.066 -89.591 1.00 21.13 H new ATOM 55 N ARG A 178 12.449 -25.415 -91.487 1.00 24.30 N ATOM 56 CA ARG A 178 11.671 -26.661 -91.433 1.00 3.45 C ATOM 57 C ARG A 178 10.764 -26.714 -90.194 1.00 25.42 C ATOM 58 O ARG A 178 10.855 -27.641 -89.389 1.00 34.30 O ATOM 59 CB ARG A 178 12.629 -27.864 -91.572 1.00 73.44 C ATOM 60 CG ARG A 178 11.914 -29.192 -91.886 1.00 23.23 C ATOM 61 CD ARG A 178 12.938 -30.335 -91.967 1.00 61.32 C ATOM 62 NE ARG A 178 12.292 -31.651 -92.132 1.00 43.12 N ATOM 63 CZ ARG A 178 12.004 -32.279 -93.281 1.00 4.41 C ATOM 64 NH1 ARG A 178 12.256 -31.702 -94.455 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 11.465 -33.496 -93.247 1.00 63.23 N ATOM 0 H ARG A 178 12.434 -24.988 -92.413 1.00 24.30 H new ATOM 0 HA ARG A 178 10.979 -26.703 -92.274 1.00 3.45 H new ATOM 0 HB2 ARG A 178 13.350 -27.654 -92.362 1.00 73.44 H new ATOM 0 HB3 ARG A 178 13.194 -27.976 -90.647 1.00 73.44 H new ATOM 0 HG2 ARG A 178 11.176 -29.408 -91.114 1.00 23.23 H new ATOM 0 HG3 ARG A 178 11.374 -29.109 -92.829 1.00 23.23 H new ATOM 0 HD2 ARG A 178 13.614 -30.156 -92.803 1.00 61.32 H new ATOM 0 HD3 ARG A 178 13.545 -30.341 -91.062 1.00 61.32 H new ATOM 0 HE ARG A 178 12.035 -32.139 -91.274 1.00 43.12 H new ATOM 0 HH11 ARG A 178 12.673 -30.772 -94.487 1.00 33.23 H new ATOM 0 HH12 ARG A 178 12.032 -32.191 -95.322 1.00 33.23 H new ATOM 0 HH21 ARG A 178 11.274 -33.944 -92.351 1.00 63.23 H new ATOM 0 HH22 ARG A 178 11.243 -33.980 -94.117 1.00 63.23 H new ATOM 79 N GLN A 179 9.871 -25.725 -90.091 1.00 24.00 N ATOM 80 CA GLN A 179 8.848 -25.577 -89.068 1.00 3.32 C ATOM 81 C GLN A 179 9.465 -25.455 -87.673 1.00 35.51 C ATOM 82 O GLN A 179 9.563 -24.339 -87.176 1.00 2.32 O ATOM 83 CB GLN A 179 7.753 -26.663 -89.178 1.00 52.52 C ATOM 84 CG GLN A 179 6.794 -26.489 -90.374 1.00 55.30 C ATOM 85 CD GLN A 179 7.248 -27.098 -91.708 1.00 71.53 C ATOM 86 OE1 GLN A 179 8.425 -27.296 -91.994 1.00 14.25 O ATOM 87 NE2 GLN A 179 6.304 -27.397 -92.587 1.00 3.14 N ATOM 0 H GLN A 179 9.847 -24.961 -90.766 1.00 24.00 H new ATOM 0 HA GLN A 179 8.330 -24.635 -89.246 1.00 3.32 H new ATOM 0 HB2 GLN A 179 8.233 -27.638 -89.253 1.00 52.52 H new ATOM 0 HB3 GLN A 179 7.169 -26.666 -88.258 1.00 52.52 H new ATOM 0 HG2 GLN A 179 5.833 -26.928 -90.108 1.00 55.30 H new ATOM 0 HG3 GLN A 179 6.626 -25.423 -90.525 1.00 55.30 H new ATOM 0 HE21 GLN A 179 5.323 -27.236 -92.357 1.00 3.14 H new ATOM 0 HE22 GLN A 179 6.557 -27.789 -93.494 1.00 3.14 H new ATOM 96 N ARG A 180 9.852 -26.567 -87.039 1.00 65.05 N ATOM 97 CA ARG A 180 10.333 -26.722 -85.657 1.00 64.25 C ATOM 98 C ARG A 180 9.472 -26.045 -84.571 1.00 43.03 C ATOM 99 O ARG A 180 9.906 -25.983 -83.417 1.00 61.12 O ATOM 100 CB ARG A 180 11.852 -26.454 -85.563 1.00 54.40 C ATOM 101 CG ARG A 180 12.320 -24.982 -85.647 1.00 40.31 C ATOM 102 CD ARG A 180 13.119 -24.544 -84.413 1.00 25.33 C ATOM 103 NE ARG A 180 12.238 -24.513 -83.236 1.00 63.12 N ATOM 104 CZ ARG A 180 11.853 -23.472 -82.496 1.00 4.44 C ATOM 105 NH1 ARG A 180 12.437 -22.281 -82.618 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 10.860 -23.655 -81.634 1.00 74.54 N ATOM 0 H ARG A 180 9.836 -27.465 -87.522 1.00 65.05 H new ATOM 0 HA ARG A 180 10.190 -27.772 -85.402 1.00 64.25 H new ATOM 0 HB2 ARG A 180 12.210 -26.868 -84.620 1.00 54.40 H new ATOM 0 HB3 ARG A 180 12.343 -27.010 -86.362 1.00 54.40 H new ATOM 0 HG2 ARG A 180 12.934 -24.850 -86.538 1.00 40.31 H new ATOM 0 HG3 ARG A 180 11.451 -24.334 -85.761 1.00 40.31 H new ATOM 0 HD2 ARG A 180 13.947 -25.232 -84.241 1.00 25.33 H new ATOM 0 HD3 ARG A 180 13.553 -23.558 -84.580 1.00 25.33 H new ATOM 0 HE ARG A 180 11.868 -25.417 -82.943 1.00 63.12 H new ATOM 0 HH11 ARG A 180 13.195 -22.151 -83.288 1.00 33.41 H new ATOM 0 HH12 ARG A 180 12.126 -21.499 -82.042 1.00 33.41 H new ATOM 0 HH21 ARG A 180 10.417 -24.570 -81.553 1.00 74.54 H new ATOM 0 HH22 ARG A 180 10.540 -22.880 -81.052 1.00 74.54 H new ATOM 120 N LEU A 181 8.276 -25.564 -84.904 1.00 42.44 N ATOM 121 CA LEU A 181 7.246 -25.038 -84.016 1.00 73.23 C ATOM 122 C LEU A 181 5.905 -25.149 -84.766 1.00 71.21 C ATOM 123 O LEU A 181 5.873 -25.738 -85.851 1.00 74.14 O ATOM 124 CB LEU A 181 7.592 -23.597 -83.595 1.00 33.22 C ATOM 125 CG LEU A 181 7.500 -23.375 -82.071 1.00 33.35 C ATOM 126 CD1 LEU A 181 7.962 -21.954 -81.722 1.00 5.21 C ATOM 127 CD2 LEU A 181 6.120 -23.645 -81.455 1.00 70.12 C ATOM 0 H LEU A 181 7.981 -25.530 -85.880 1.00 42.44 H new ATOM 0 HA LEU A 181 7.178 -25.605 -83.088 1.00 73.23 H new ATOM 0 HB2 LEU A 181 8.601 -23.359 -83.931 1.00 33.22 H new ATOM 0 HB3 LEU A 181 6.917 -22.905 -84.099 1.00 33.22 H new ATOM 0 HG LEU A 181 8.162 -24.120 -81.630 1.00 33.35 H new ATOM 0 HD11 LEU A 181 7.895 -21.804 -80.645 1.00 5.21 H new ATOM 0 HD12 LEU A 181 8.995 -21.818 -82.043 1.00 5.21 H new ATOM 0 HD13 LEU A 181 7.325 -21.229 -82.230 1.00 5.21 H new ATOM 0 HD21 LEU A 181 6.158 -23.461 -80.381 1.00 70.12 H new ATOM 0 HD22 LEU A 181 5.383 -22.984 -81.910 1.00 70.12 H new ATOM 0 HD23 LEU A 181 5.838 -24.682 -81.635 1.00 70.12 H new ATOM 139 N GLN A 182 4.801 -24.664 -84.188 1.00 62.31 N ATOM 140 CA GLN A 182 3.435 -25.035 -84.572 1.00 40.10 C ATOM 141 C GLN A 182 2.445 -23.873 -84.367 1.00 63.11 C ATOM 142 O GLN A 182 1.249 -24.081 -84.218 1.00 12.30 O ATOM 143 CB GLN A 182 3.028 -26.279 -83.751 1.00 72.53 C ATOM 144 CG GLN A 182 1.876 -27.068 -84.391 1.00 23.40 C ATOM 145 CD GLN A 182 1.343 -28.136 -83.443 1.00 41.05 C ATOM 146 OE1 GLN A 182 1.940 -29.195 -83.287 1.00 54.13 O ATOM 147 NE2 GLN A 182 0.219 -27.885 -82.793 1.00 22.23 N ATOM 0 H GLN A 182 4.833 -23.989 -83.424 1.00 62.31 H new ATOM 0 HA GLN A 182 3.406 -25.267 -85.637 1.00 40.10 H new ATOM 0 HB2 GLN A 182 3.892 -26.934 -83.640 1.00 72.53 H new ATOM 0 HB3 GLN A 182 2.735 -25.966 -82.749 1.00 72.53 H new ATOM 0 HG2 GLN A 182 1.071 -26.385 -84.662 1.00 23.40 H new ATOM 0 HG3 GLN A 182 2.221 -27.536 -85.313 1.00 23.40 H new ATOM 0 HE21 GLN A 182 -0.265 -26.998 -82.935 1.00 22.23 H new ATOM 0 HE22 GLN A 182 -0.164 -28.578 -82.150 1.00 22.23 H new ATOM 156 N ASP A 183 2.907 -22.630 -84.333 1.00 20.03 N ATOM 157 CA ASP A 183 2.182 -21.478 -83.779 1.00 43.12 C ATOM 158 C ASP A 183 1.000 -21.069 -84.636 1.00 32.23 C ATOM 159 O ASP A 183 0.093 -20.377 -84.188 1.00 34.24 O ATOM 160 CB ASP A 183 3.116 -20.260 -83.624 1.00 20.31 C ATOM 161 CG ASP A 183 4.491 -20.623 -83.079 1.00 12.13 C ATOM 162 OD1 ASP A 183 5.247 -21.239 -83.873 1.00 22.45 O ATOM 163 OD2 ASP A 183 4.760 -20.380 -81.888 1.00 23.45 O1- ATOM 0 H ASP A 183 3.825 -22.380 -84.700 1.00 20.03 H new ATOM 0 HA ASP A 183 1.812 -21.797 -82.804 1.00 43.12 H new ATOM 0 HB2 ASP A 183 3.233 -19.775 -84.593 1.00 20.31 H new ATOM 0 HB3 ASP A 183 2.649 -19.534 -82.958 1.00 20.31 H new ATOM 168 N THR A 184 0.988 -21.569 -85.864 1.00 51.30 N ATOM 169 CA THR A 184 -0.122 -21.442 -86.781 1.00 22.11 C ATOM 170 C THR A 184 -1.347 -22.233 -86.291 1.00 53.13 C ATOM 171 O THR A 184 -2.463 -21.992 -86.748 1.00 71.31 O ATOM 172 CB THR A 184 0.398 -21.819 -88.187 1.00 3.31 C ATOM 173 OG1 THR A 184 -0.458 -21.386 -89.217 1.00 25.41 O ATOM 174 CG2 THR A 184 0.676 -23.320 -88.360 1.00 51.10 C ATOM 0 H THR A 184 1.775 -22.087 -86.255 1.00 51.30 H new ATOM 0 HA THR A 184 -0.495 -20.419 -86.833 1.00 22.11 H new ATOM 0 HB THR A 184 1.348 -21.290 -88.268 1.00 3.31 H new ATOM 0 HG1 THR A 184 -0.084 -21.647 -90.084 1.00 25.41 H new ATOM 0 HG21 THR A 184 1.038 -23.509 -89.371 1.00 51.10 H new ATOM 0 HG22 THR A 184 1.431 -23.636 -87.640 1.00 51.10 H new ATOM 0 HG23 THR A 184 -0.243 -23.882 -88.193 1.00 51.10 H new ATOM 182 N VAL A 185 -1.166 -23.167 -85.350 1.00 43.51 N ATOM 183 CA VAL A 185 -2.259 -24.033 -84.903 1.00 73.04 C ATOM 184 C VAL A 185 -2.058 -24.543 -83.466 1.00 11.42 C ATOM 185 O VAL A 185 -1.363 -25.531 -83.228 1.00 54.52 O ATOM 186 CB VAL A 185 -2.525 -25.130 -85.971 1.00 23.54 C ATOM 187 CG1 VAL A 185 -1.349 -26.072 -86.277 1.00 72.43 C ATOM 188 CG2 VAL A 185 -3.775 -25.955 -85.633 1.00 23.12 C ATOM 0 H VAL A 185 -0.275 -23.341 -84.885 1.00 43.51 H new ATOM 0 HA VAL A 185 -3.178 -23.452 -84.827 1.00 73.04 H new ATOM 0 HB VAL A 185 -2.682 -24.557 -86.885 1.00 23.54 H new ATOM 0 HG11 VAL A 185 -1.650 -26.795 -87.035 1.00 72.43 H new ATOM 0 HG12 VAL A 185 -0.503 -25.491 -86.645 1.00 72.43 H new ATOM 0 HG13 VAL A 185 -1.059 -26.599 -85.368 1.00 72.43 H new ATOM 0 HG21 VAL A 185 -3.930 -26.712 -86.402 1.00 23.12 H new ATOM 0 HG22 VAL A 185 -3.640 -26.441 -84.667 1.00 23.12 H new ATOM 0 HG23 VAL A 185 -4.644 -25.298 -85.590 1.00 23.12 H new ATOM 198 N GLY A 186 -2.739 -23.915 -82.495 1.00 64.11 N ATOM 199 CA GLY A 186 -2.914 -24.500 -81.161 1.00 14.24 C ATOM 200 C GLY A 186 -3.170 -23.513 -80.015 1.00 62.45 C ATOM 201 O GLY A 186 -3.177 -23.927 -78.860 1.00 21.23 O ATOM 0 H GLY A 186 -3.177 -23.001 -82.611 1.00 64.11 H new ATOM 0 HA2 GLY A 186 -3.748 -25.201 -81.201 1.00 14.24 H new ATOM 0 HA3 GLY A 186 -2.022 -25.079 -80.921 1.00 14.24 H new ATOM 205 N LEU A 187 -3.344 -22.218 -80.289 1.00 72.41 N ATOM 206 CA LEU A 187 -3.217 -21.178 -79.271 1.00 12.03 C ATOM 207 C LEU A 187 -4.572 -20.842 -78.634 1.00 61.21 C ATOM 208 O LEU A 187 -5.220 -19.884 -79.049 1.00 12.43 O ATOM 209 CB LEU A 187 -2.539 -19.938 -79.892 1.00 63.55 C ATOM 210 CG LEU A 187 -1.110 -20.190 -80.422 1.00 32.34 C ATOM 211 CD1 LEU A 187 -0.603 -18.949 -81.160 1.00 15.23 C ATOM 212 CD2 LEU A 187 -0.130 -20.549 -79.297 1.00 11.21 C ATOM 0 H LEU A 187 -3.575 -21.865 -81.217 1.00 72.41 H new ATOM 0 HA LEU A 187 -2.588 -21.546 -78.460 1.00 12.03 H new ATOM 0 HB2 LEU A 187 -3.158 -19.573 -80.711 1.00 63.55 H new ATOM 0 HB3 LEU A 187 -2.501 -19.147 -79.144 1.00 63.55 H new ATOM 0 HG LEU A 187 -1.162 -21.039 -81.103 1.00 32.34 H new ATOM 0 HD11 LEU A 187 0.405 -19.133 -81.531 1.00 15.23 H new ATOM 0 HD12 LEU A 187 -1.264 -18.729 -81.998 1.00 15.23 H new ATOM 0 HD13 LEU A 187 -0.589 -18.100 -80.477 1.00 15.23 H new ATOM 0 HD21 LEU A 187 0.861 -20.717 -79.718 1.00 11.21 H new ATOM 0 HD22 LEU A 187 -0.085 -19.730 -78.579 1.00 11.21 H new ATOM 0 HD23 LEU A 187 -0.469 -21.455 -78.794 1.00 11.21 H new ATOM 674 N MET A 214 -12.079 -3.333 -11.084 1.00 0.24 N ATOM 675 CA MET A 214 -12.474 -3.709 -9.728 1.00 32.05 C ATOM 676 C MET A 214 -11.677 -2.941 -8.663 1.00 23.33 C ATOM 677 O MET A 214 -10.648 -3.413 -8.181 1.00 53.34 O ATOM 678 CB MET A 214 -12.463 -5.236 -9.522 1.00 13.22 C ATOM 679 CG MET A 214 -13.282 -5.991 -10.574 1.00 41.51 C ATOM 680 SD MET A 214 -13.405 -7.772 -10.232 1.00 21.51 S ATOM 681 CE MET A 214 -14.834 -8.217 -11.251 1.00 63.42 C ATOM 0 HA MET A 214 -13.512 -3.404 -9.597 1.00 32.05 H new ATOM 0 HB2 MET A 214 -11.433 -5.593 -9.548 1.00 13.22 H new ATOM 0 HB3 MET A 214 -12.855 -5.466 -8.531 1.00 13.22 H new ATOM 0 HG2 MET A 214 -14.284 -5.565 -10.621 1.00 41.51 H new ATOM 0 HG3 MET A 214 -12.828 -5.845 -11.554 1.00 41.51 H new ATOM 0 HE1 MET A 214 -15.036 -9.283 -11.148 1.00 63.42 H new ATOM 0 HE2 MET A 214 -15.705 -7.649 -10.924 1.00 63.42 H new ATOM 0 HE3 MET A 214 -14.622 -7.987 -12.295 1.00 63.42 H new ATOM 691 N LEU A 215 -12.112 -1.726 -8.330 1.00 34.21 N ATOM 692 CA LEU A 215 -11.553 -0.895 -7.270 1.00 73.12 C ATOM 693 C LEU A 215 -12.429 -1.032 -6.043 1.00 63.53 C ATOM 694 O LEU A 215 -11.999 -1.645 -5.072 1.00 4.22 O ATOM 695 CB LEU A 215 -11.380 0.552 -7.752 1.00 11.32 C ATOM 696 CG LEU A 215 -11.257 1.646 -6.666 1.00 5.51 C ATOM 697 CD1 LEU A 215 -10.299 1.292 -5.519 1.00 20.01 C ATOM 698 CD2 LEU A 215 -10.777 2.944 -7.325 1.00 75.40 C ATOM 0 H LEU A 215 -12.893 -1.279 -8.811 1.00 34.21 H new ATOM 0 HA LEU A 215 -10.551 -1.228 -6.998 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -10.489 0.596 -8.379 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -12.230 0.801 -8.388 1.00 11.32 H new ATOM 0 HG LEU A 215 -12.247 1.751 -6.221 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -10.271 2.112 -4.802 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -10.646 0.386 -5.021 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -9.299 1.126 -5.919 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -10.686 3.724 -6.569 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -9.807 2.777 -7.793 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -11.496 3.255 -8.083 1.00 75.40 H new ATOM 710 N GLU A 216 -13.677 -0.562 -6.090 1.00 42.34 N ATOM 711 CA GLU A 216 -14.466 -0.432 -4.857 1.00 21.22 C ATOM 712 C GLU A 216 -14.938 -1.803 -4.325 1.00 61.20 C ATOM 713 O GLU A 216 -15.624 -1.905 -3.309 1.00 11.33 O ATOM 714 CB GLU A 216 -15.725 0.440 -5.061 1.00 25.21 C ATOM 715 CG GLU A 216 -15.585 1.731 -5.877 1.00 54.02 C ATOM 716 CD GLU A 216 -15.686 1.457 -7.381 1.00 1.13 C ATOM 717 OE1 GLU A 216 -16.820 1.303 -7.899 1.00 13.22 O ATOM 718 OE2 GLU A 216 -14.624 1.412 -8.041 1.00 44.35 O1- ATOM 0 H GLU A 216 -14.156 -0.271 -6.942 1.00 42.34 H new ATOM 0 HA GLU A 216 -13.796 0.040 -4.138 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -16.484 -0.177 -5.541 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -16.108 0.708 -4.076 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -16.362 2.436 -5.581 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -14.627 2.201 -5.655 1.00 54.02 H new ATOM 725 N LYS A 217 -14.592 -2.881 -5.028 1.00 71.23 N ATOM 726 CA LYS A 217 -15.079 -4.239 -4.858 1.00 24.12 C ATOM 727 C LYS A 217 -14.381 -4.940 -3.694 1.00 41.53 C ATOM 728 O LYS A 217 -13.893 -6.060 -3.845 1.00 65.12 O ATOM 729 CB LYS A 217 -14.904 -4.950 -6.209 1.00 63.53 C ATOM 730 CG LYS A 217 -15.827 -6.164 -6.380 1.00 33.31 C ATOM 731 CD LYS A 217 -15.394 -6.913 -7.644 1.00 21.23 C ATOM 732 CE LYS A 217 -16.326 -8.062 -8.029 1.00 11.23 C ATOM 733 NZ LYS A 217 -17.567 -7.599 -8.690 1.00 34.23 N1+ ATOM 0 H LYS A 217 -13.913 -2.817 -5.786 1.00 71.23 H new ATOM 0 HA LYS A 217 -16.134 -4.254 -4.585 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -15.097 -4.240 -7.013 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -13.868 -5.273 -6.310 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -15.763 -6.817 -5.509 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -16.866 -5.844 -6.463 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -15.340 -6.207 -8.473 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -14.389 -7.307 -7.495 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -15.798 -8.744 -8.695 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -16.586 -8.628 -7.134 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -18.160 -8.419 -8.928 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -18.089 -6.970 -8.047 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -17.325 -7.082 -9.560 1.00 34.23 H new ATOM 747 N CYS A 218 -14.321 -4.289 -2.536 1.00 72.34 N ATOM 748 CA CYS A 218 -13.584 -4.742 -1.371 1.00 52.25 C ATOM 749 C CYS A 218 -14.440 -4.545 -0.113 1.00 53.24 C ATOM 750 O CYS A 218 -14.126 -3.686 0.706 1.00 3.44 O ATOM 751 CB CYS A 218 -12.256 -3.978 -1.342 1.00 41.44 C ATOM 752 SG CYS A 218 -11.160 -4.705 -0.089 1.00 24.22 S ATOM 0 H CYS A 218 -14.802 -3.403 -2.382 1.00 72.34 H new ATOM 0 HA CYS A 218 -13.358 -5.808 -1.412 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -11.781 -4.018 -2.322 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -12.435 -2.927 -1.117 1.00 41.44 H new ATOM 0 HG CYS A 218 -10.353 -5.551 -0.657 1.00 24.22 H new ATOM 758 N PRO A 219 -15.520 -5.325 0.068 1.00 2.24 N ATOM 759 CA PRO A 219 -16.407 -5.195 1.222 1.00 23.03 C ATOM 760 C PRO A 219 -15.828 -5.808 2.507 1.00 53.55 C ATOM 761 O PRO A 219 -16.494 -5.790 3.541 1.00 51.44 O ATOM 762 CB PRO A 219 -17.693 -5.915 0.797 1.00 13.32 C ATOM 763 CG PRO A 219 -17.167 -7.041 -0.092 1.00 34.20 C ATOM 764 CD PRO A 219 -16.002 -6.372 -0.823 1.00 63.34 C ATOM 0 HA PRO A 219 -16.566 -4.147 1.475 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -18.244 -6.300 1.655 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -18.368 -5.253 0.255 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -16.839 -7.900 0.493 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -17.928 -7.400 -0.785 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -15.213 -7.092 -1.042 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -16.327 -5.955 -1.776 1.00 63.34 H new ATOM 772 N PHE A 220 -14.662 -6.462 2.448 1.00 52.33 N ATOM 773 CA PHE A 220 -14.144 -7.221 3.566 1.00 13.33 C ATOM 774 C PHE A 220 -13.761 -6.277 4.711 1.00 31.11 C ATOM 775 O PHE A 220 -13.198 -5.210 4.460 1.00 61.21 O ATOM 776 CB PHE A 220 -12.925 -8.039 3.114 1.00 12.53 C ATOM 777 CG PHE A 220 -13.179 -8.903 1.893 1.00 53.04 C ATOM 778 CD1 PHE A 220 -14.170 -9.903 1.928 1.00 11.32 C ATOM 779 CD2 PHE A 220 -12.439 -8.695 0.712 1.00 43.24 C ATOM 780 CE1 PHE A 220 -14.427 -10.685 0.787 1.00 35.04 C ATOM 781 CE2 PHE A 220 -12.690 -9.484 -0.424 1.00 24.41 C ATOM 782 CZ PHE A 220 -13.686 -10.476 -0.389 1.00 24.35 C ATOM 0 H PHE A 220 -14.062 -6.473 1.623 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.914 -7.904 3.925 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.102 -7.357 2.899 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.603 -8.677 3.937 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -14.734 -10.070 2.833 1.00 11.32 H new ATOM 0 HD2 PHE A 220 -11.678 -7.929 0.680 1.00 43.24 H new ATOM 0 HE1 PHE A 220 -15.193 -11.446 0.815 1.00 35.04 H new ATOM 0 HE2 PHE A 220 -12.117 -9.328 -1.326 1.00 24.41 H new ATOM 0 HZ PHE A 220 -13.881 -11.077 -1.265 1.00 24.35 H new ATOM 792 N PRO A 221 -13.965 -6.693 5.970 1.00 52.42 N ATOM 793 CA PRO A 221 -13.548 -5.925 7.127 1.00 64.02 C ATOM 794 C PRO A 221 -12.025 -5.841 7.170 1.00 52.52 C ATOM 795 O PRO A 221 -11.319 -6.846 7.033 1.00 61.24 O ATOM 796 CB PRO A 221 -14.132 -6.640 8.346 1.00 3.32 C ATOM 797 CG PRO A 221 -14.347 -8.071 7.860 1.00 31.34 C ATOM 798 CD PRO A 221 -14.628 -7.918 6.367 1.00 13.23 C ATOM 0 HA PRO A 221 -13.907 -4.896 7.097 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -13.450 -6.604 9.196 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -15.067 -6.182 8.668 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -13.467 -8.689 8.039 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -15.181 -8.546 8.376 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -14.245 -8.771 5.807 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -15.699 -7.865 6.173 1.00 13.23 H new ATOM 806 N ALA A 222 -11.533 -4.626 7.391 1.00 15.10 N ATOM 807 CA ALA A 222 -10.118 -4.349 7.566 1.00 33.50 C ATOM 808 C ALA A 222 -9.589 -5.175 8.732 1.00 45.31 C ATOM 809 O ALA A 222 -10.256 -5.336 9.752 1.00 5.14 O ATOM 810 CB ALA A 222 -9.899 -2.849 7.789 1.00 54.51 C ATOM 0 H ALA A 222 -12.120 -3.794 7.454 1.00 15.10 H new ATOM 0 HA ALA A 222 -9.568 -4.629 6.668 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -8.835 -2.652 7.919 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -10.268 -2.295 6.926 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -10.439 -2.531 8.681 1.00 54.51 H new ATOM 816 N GLY A 223 -8.383 -5.706 8.558 1.00 72.54 N ATOM 817 CA GLY A 223 -7.737 -6.582 9.516 1.00 54.34 C ATOM 818 C GLY A 223 -8.116 -8.052 9.342 1.00 13.20 C ATOM 819 O GLY A 223 -7.431 -8.905 9.899 1.00 13.51 O ATOM 0 H GLY A 223 -7.819 -5.532 7.726 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -6.656 -6.479 9.421 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -8.000 -6.263 10.525 1.00 54.34 H new ATOM 823 N SER A 224 -9.150 -8.380 8.559 1.00 12.10 N ATOM 824 CA SER A 224 -9.370 -9.753 8.139 1.00 32.34 C ATOM 825 C SER A 224 -8.339 -10.110 7.057 1.00 62.33 C ATOM 826 O SER A 224 -7.838 -9.236 6.340 1.00 52.54 O ATOM 827 CB SER A 224 -10.815 -9.904 7.665 1.00 2.20 C ATOM 828 OG SER A 224 -11.190 -11.266 7.573 1.00 61.34 O ATOM 0 H SER A 224 -9.838 -7.713 8.210 1.00 12.10 H new ATOM 0 HA SER A 224 -9.230 -10.452 8.964 1.00 32.34 H new ATOM 0 HB2 SER A 224 -11.482 -9.388 8.356 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.932 -9.427 6.692 1.00 2.20 H new ATOM 0 HG SER A 224 -12.120 -11.330 7.269 1.00 61.34 H new ATOM 834 N ASP A 225 -8.079 -11.409 6.887 1.00 61.25 N ATOM 835 CA ASP A 225 -7.120 -11.955 5.921 1.00 53.22 C ATOM 836 C ASP A 225 -7.566 -11.608 4.506 1.00 11.51 C ATOM 837 O ASP A 225 -6.757 -11.334 3.625 1.00 20.21 O ATOM 838 CB ASP A 225 -7.078 -13.478 6.115 1.00 65.42 C ATOM 839 CG ASP A 225 -6.210 -14.241 5.116 1.00 1.12 C ATOM 840 OD1 ASP A 225 -5.024 -13.900 4.930 1.00 40.32 O ATOM 841 OD2 ASP A 225 -6.684 -15.263 4.569 1.00 54.24 O1- ATOM 0 H ASP A 225 -8.544 -12.133 7.435 1.00 61.25 H new ATOM 0 HA ASP A 225 -6.127 -11.532 6.076 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -6.716 -13.689 7.121 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -8.096 -13.863 6.055 1.00 65.42 H new ATOM 846 N LEU A 226 -8.884 -11.541 4.310 1.00 65.13 N ATOM 847 CA LEU A 226 -9.472 -11.306 3.007 1.00 13.44 C ATOM 848 C LEU A 226 -9.239 -9.869 2.551 1.00 72.23 C ATOM 849 O LEU A 226 -9.103 -9.638 1.352 1.00 44.25 O ATOM 850 CB LEU A 226 -10.978 -11.600 3.000 1.00 21.33 C ATOM 851 CG LEU A 226 -11.325 -13.091 3.158 1.00 42.04 C ATOM 852 CD1 LEU A 226 -11.204 -13.586 4.599 1.00 2.14 C ATOM 853 CD2 LEU A 226 -12.749 -13.341 2.646 1.00 31.03 C ATOM 0 H LEU A 226 -9.569 -11.650 5.058 1.00 65.13 H new ATOM 0 HA LEU A 226 -8.981 -11.989 2.315 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.451 -11.040 3.807 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.405 -11.235 2.066 1.00 21.33 H new ATOM 0 HG LEU A 226 -10.599 -13.652 2.569 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -11.462 -14.644 4.643 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -10.180 -13.447 4.947 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -11.883 -13.020 5.236 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -12.996 -14.397 2.758 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -13.453 -12.741 3.222 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -12.811 -13.063 1.594 1.00 31.03 H new ATOM 865 N ALA A 227 -9.198 -8.902 3.476 1.00 33.13 N ATOM 866 CA ALA A 227 -8.917 -7.515 3.130 1.00 31.51 C ATOM 867 C ALA A 227 -7.489 -7.402 2.596 1.00 61.32 C ATOM 868 O ALA A 227 -7.259 -6.723 1.599 1.00 1.22 O ATOM 869 CB ALA A 227 -9.132 -6.604 4.345 1.00 20.11 C ATOM 0 H ALA A 227 -9.357 -9.062 4.471 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.606 -7.189 2.350 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -8.918 -5.572 4.068 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -10.166 -6.682 4.680 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.465 -6.909 5.151 1.00 20.11 H new ATOM 875 N GLN A 228 -6.532 -8.090 3.228 1.00 2.11 N ATOM 876 CA GLN A 228 -5.170 -8.141 2.717 1.00 62.54 C ATOM 877 C GLN A 228 -5.133 -8.895 1.386 1.00 60.13 C ATOM 878 O GLN A 228 -4.586 -8.386 0.408 1.00 43.54 O ATOM 879 CB GLN A 228 -4.215 -8.760 3.748 1.00 74.33 C ATOM 880 CG GLN A 228 -4.079 -7.880 5.003 1.00 13.33 C ATOM 881 CD GLN A 228 -2.900 -8.280 5.896 1.00 64.54 C ATOM 882 OE1 GLN A 228 -2.177 -9.231 5.634 1.00 5.12 O ATOM 883 NE2 GLN A 228 -2.654 -7.538 6.965 1.00 5.01 N ATOM 0 H GLN A 228 -6.680 -8.615 4.090 1.00 2.11 H new ATOM 0 HA GLN A 228 -4.827 -7.122 2.536 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.579 -9.747 4.034 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -3.234 -8.901 3.295 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -3.959 -6.840 4.699 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -5.001 -7.939 5.582 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -3.256 -6.745 7.185 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -1.862 -7.760 7.569 1.00 5.01 H new ATOM 892 N LYS A 229 -5.704 -10.099 1.311 1.00 14.24 N ATOM 893 CA LYS A 229 -5.648 -10.932 0.109 1.00 61.11 C ATOM 894 C LYS A 229 -6.418 -10.341 -1.069 1.00 50.14 C ATOM 895 O LYS A 229 -6.120 -10.707 -2.202 1.00 20.33 O ATOM 896 CB LYS A 229 -6.077 -12.370 0.452 1.00 43.15 C ATOM 897 CG LYS A 229 -4.880 -13.065 1.121 1.00 65.30 C ATOM 898 CD LYS A 229 -5.205 -14.476 1.607 1.00 2.11 C ATOM 899 CE LYS A 229 -3.986 -15.003 2.379 1.00 22.04 C ATOM 900 NZ LYS A 229 -4.367 -16.061 3.334 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.218 -10.524 2.083 1.00 14.24 H new ATOM 0 HA LYS A 229 -4.614 -10.960 -0.234 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -6.938 -12.364 1.120 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -6.376 -12.906 -0.449 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -4.052 -13.112 0.413 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -4.544 -12.464 1.966 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -6.087 -14.465 2.248 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -5.433 -15.127 0.763 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -3.250 -15.394 1.676 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -3.510 -14.182 2.915 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -3.809 -15.959 4.206 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -5.379 -15.978 3.559 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -4.182 -16.993 2.911 1.00 4.21 H new ATOM 914 N TRP A 230 -7.317 -9.376 -0.869 1.00 13.20 N ATOM 915 CA TRP A 230 -7.982 -8.661 -1.954 1.00 72.33 C ATOM 916 C TRP A 230 -6.964 -7.991 -2.877 1.00 31.00 C ATOM 917 O TRP A 230 -7.189 -7.947 -4.086 1.00 23.12 O ATOM 918 CB TRP A 230 -8.965 -7.617 -1.411 1.00 34.15 C ATOM 919 CG TRP A 230 -9.599 -6.770 -2.472 1.00 61.20 C ATOM 920 CD1 TRP A 230 -10.743 -7.037 -3.141 1.00 14.12 C ATOM 921 CD2 TRP A 230 -9.078 -5.540 -3.055 1.00 53.24 C ATOM 922 NE1 TRP A 230 -10.962 -6.057 -4.087 1.00 24.03 N ATOM 923 CE2 TRP A 230 -9.944 -5.128 -4.107 1.00 13.24 C ATOM 924 CE3 TRP A 230 -7.945 -4.742 -2.802 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -9.687 -3.986 -4.880 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -7.670 -3.597 -3.575 1.00 33.44 C ATOM 927 CH2 TRP A 230 -8.541 -3.218 -4.614 1.00 4.35 C ATOM 0 H TRP A 230 -7.605 -9.068 0.060 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.543 -9.396 -2.531 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -9.749 -8.127 -0.851 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -8.441 -6.970 -0.708 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.386 -7.886 -2.962 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -11.778 -6.024 -4.698 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -7.274 -5.013 -2.000 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -10.363 -3.700 -5.672 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -6.788 -3.008 -3.370 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -8.329 -2.339 -5.205 1.00 4.35 H new ATOM 938 N HIS A 231 -5.829 -7.525 -2.336 1.00 41.52 N ATOM 939 CA HIS A 231 -4.776 -6.870 -3.112 1.00 44.11 C ATOM 940 C HIS A 231 -4.283 -7.769 -4.247 1.00 62.42 C ATOM 941 O HIS A 231 -3.817 -7.249 -5.258 1.00 2.10 O ATOM 942 CB HIS A 231 -3.640 -6.414 -2.186 1.00 73.30 C ATOM 943 CG HIS A 231 -2.494 -7.380 -2.099 1.00 1.23 C ATOM 944 ND1 HIS A 231 -2.297 -8.382 -1.180 1.00 54.43 N ATOM 945 CD2 HIS A 231 -1.539 -7.489 -3.061 1.00 54.44 C ATOM 946 CE1 HIS A 231 -1.223 -9.087 -1.580 1.00 44.02 C ATOM 947 NE2 HIS A 231 -0.729 -8.580 -2.727 1.00 72.12 N ATOM 0 H HIS A 231 -5.618 -7.594 -1.340 1.00 41.52 H new ATOM 0 HA HIS A 231 -5.189 -5.979 -3.585 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -3.265 -5.452 -2.536 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -4.043 -6.254 -1.186 1.00 73.30 H new ATOM 0 HD1 HIS A 231 -2.861 -8.559 -0.348 1.00 54.43 H new ATOM 0 HD2 HIS A 231 -1.426 -6.850 -3.925 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -0.815 -9.939 -1.056 1.00 44.02 H new ATOM 955 N LEU A 232 -4.384 -9.090 -4.085 1.00 43.21 N ATOM 956 CA LEU A 232 -4.009 -10.062 -5.105 1.00 54.14 C ATOM 957 C LEU A 232 -4.912 -9.867 -6.327 1.00 63.01 C ATOM 958 O LEU A 232 -4.426 -9.662 -7.442 1.00 33.14 O ATOM 959 CB LEU A 232 -4.099 -11.470 -4.493 1.00 63.34 C ATOM 960 CG LEU A 232 -3.336 -12.583 -5.235 1.00 62.14 C ATOM 961 CD1 LEU A 232 -3.307 -13.817 -4.322 1.00 23.25 C ATOM 962 CD2 LEU A 232 -3.978 -12.984 -6.568 1.00 64.32 C ATOM 0 H LEU A 232 -4.734 -9.517 -3.228 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.983 -9.924 -5.445 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -3.727 -11.423 -3.469 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -5.150 -11.753 -4.438 1.00 63.34 H new ATOM 0 HG LEU A 232 -2.341 -12.202 -5.465 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -2.772 -14.626 -4.820 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -2.801 -13.568 -3.389 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -4.327 -14.135 -4.108 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -3.387 -13.772 -7.034 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -4.990 -13.347 -6.390 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -4.014 -12.118 -7.229 1.00 64.32 H new ATOM 974 N ILE A 233 -6.231 -9.885 -6.111 1.00 20.31 N ATOM 975 CA ILE A 233 -7.240 -9.707 -7.151 1.00 12.23 C ATOM 976 C ILE A 233 -7.130 -8.299 -7.732 1.00 33.40 C ATOM 977 O ILE A 233 -6.861 -8.160 -8.931 1.00 73.01 O ATOM 978 CB ILE A 233 -8.664 -10.052 -6.643 1.00 31.24 C ATOM 979 CG1 ILE A 233 -8.754 -11.474 -6.032 1.00 41.21 C ATOM 980 CG2 ILE A 233 -9.667 -9.978 -7.809 1.00 11.11 C ATOM 981 CD1 ILE A 233 -8.618 -11.488 -4.508 1.00 1.50 C ATOM 0 H ILE A 233 -6.633 -10.027 -5.184 1.00 20.31 H new ATOM 0 HA ILE A 233 -7.050 -10.414 -7.958 1.00 12.23 H new ATOM 0 HB ILE A 233 -8.899 -9.325 -5.866 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -9.709 -11.921 -6.309 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -7.972 -12.098 -6.465 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -10.666 -10.221 -7.446 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -9.668 -8.970 -8.225 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -9.379 -10.690 -8.583 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -8.690 -12.513 -4.146 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -7.652 -11.070 -4.225 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -9.415 -10.890 -4.066 1.00 1.50 H new ATOM 993 N LYS A 234 -7.278 -7.257 -6.897 1.00 35.12 N ATOM 994 CA LYS A 234 -7.259 -5.864 -7.352 1.00 65.43 C ATOM 995 C LYS A 234 -8.295 -5.683 -8.479 1.00 71.04 C ATOM 996 O LYS A 234 -9.276 -6.424 -8.551 1.00 11.24 O ATOM 997 CB LYS A 234 -5.809 -5.525 -7.729 1.00 41.01 C ATOM 998 CG LYS A 234 -5.488 -4.037 -7.599 1.00 40.11 C ATOM 999 CD LYS A 234 -4.853 -3.528 -8.892 1.00 52.01 C ATOM 1000 CE LYS A 234 -4.254 -2.152 -8.647 1.00 24.13 C ATOM 1001 NZ LYS A 234 -2.917 -2.249 -8.027 1.00 64.53 N1+ ATOM 0 H LYS A 234 -7.414 -7.360 -5.891 1.00 35.12 H new ATOM 0 HA LYS A 234 -7.559 -5.155 -6.581 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -5.132 -6.094 -7.092 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -5.623 -5.842 -8.755 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -6.398 -3.477 -7.385 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -4.810 -3.874 -6.762 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -4.080 -4.219 -9.229 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -5.601 -3.477 -9.683 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -4.181 -1.612 -9.591 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -4.916 -1.575 -8.001 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -2.536 -1.294 -7.873 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -2.992 -2.743 -7.115 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -2.280 -2.779 -8.656 1.00 64.53 H new ATOM 1015 N GLN A 235 -8.107 -4.698 -9.359 1.00 72.02 N ATOM 1016 CA GLN A 235 -8.865 -4.597 -10.599 1.00 11.35 C ATOM 1017 C GLN A 235 -8.521 -5.816 -11.474 1.00 33.24 C ATOM 1018 O GLN A 235 -7.482 -5.796 -12.146 1.00 30.21 O ATOM 1019 CB GLN A 235 -8.512 -3.311 -11.367 1.00 22.32 C ATOM 1020 CG GLN A 235 -8.876 -1.978 -10.696 1.00 50.13 C ATOM 1021 CD GLN A 235 -7.812 -1.524 -9.715 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -6.718 -1.166 -10.141 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -8.074 -1.595 -8.422 1.00 43.20 N ATOM 0 H GLN A 235 -7.425 -3.951 -9.229 1.00 72.02 H new ATOM 0 HA GLN A 235 -9.929 -4.569 -10.363 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -7.439 -3.313 -11.557 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -9.007 -3.349 -12.337 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -9.014 -1.213 -11.461 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -9.828 -2.083 -10.175 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -8.995 -1.897 -8.104 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -7.355 -1.348 -7.742 1.00 43.20 H new