USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=6 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 X(o=0,f=0) USER MOD Single : A 182 GLN : amide:sc= 0.767 K(o=0.77,f=-5.7!) USER MOD Single : A 184 THR OG1 : rot -32:sc= 0.406 USER MOD Single : A 214 MET CE :methyl -164:sc=-0.00461 (180deg=-0.27) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 CYS SG : rot 136:sc= 0.245 USER MOD Single : A 224 SER OG : rot 82:sc= 1.29 USER MOD Single : A 228 GLN : amide:sc= -0.0058 X(o=-0.0058,f=-0.46) USER MOD Single : A 229 LYS NZ :NH3+ -151:sc= 1.18 (180deg=-0.746!) USER MOD Single : A 231 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 234 LYS NZ :NH3+ -162:sc= -0.029 (180deg=-0.196) USER MOD Single : A 235 GLN : amide:sc= -0.0726 X(o=-0.073,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 177 -21.922 -13.236-101.058 1.00 42.40 N ATOM 37 CA LEU A 177 -23.040 -13.048-100.130 1.00 14.14 C ATOM 38 C LEU A 177 -22.560 -12.720 -98.704 1.00 25.25 C ATOM 39 O LEU A 177 -21.360 -12.593 -98.454 1.00 72.32 O ATOM 40 CB LEU A 177 -24.033 -14.233-100.200 1.00 62.05 C ATOM 41 CG LEU A 177 -24.725 -14.394-101.575 1.00 74.24 C ATOM 42 CD1 LEU A 177 -24.037 -15.462-102.438 1.00 32.31 C ATOM 43 CD2 LEU A 177 -26.199 -14.777-101.402 1.00 21.13 C ATOM 0 HA LEU A 177 -23.599 -12.169-100.449 1.00 14.14 H new ATOM 0 HB2 LEU A 177 -23.501 -15.154 -99.963 1.00 62.05 H new ATOM 0 HB3 LEU A 177 -24.797 -14.099 -99.434 1.00 62.05 H new ATOM 0 HG LEU A 177 -24.649 -13.430-102.078 1.00 74.24 H new ATOM 0 HD11 LEU A 177 -24.553 -15.544-103.395 1.00 32.31 H new ATOM 0 HD12 LEU A 177 -22.999 -15.178-102.609 1.00 32.31 H new ATOM 0 HD13 LEU A 177 -24.071 -16.422-101.924 1.00 32.31 H new ATOM 0 HD21 LEU A 177 -26.664 -14.885-102.382 1.00 21.13 H new ATOM 0 HD22 LEU A 177 -26.269 -15.721-100.862 1.00 21.13 H new ATOM 0 HD23 LEU A 177 -26.714 -13.998-100.839 1.00 21.13 H new ATOM 55 N ARG A 178 -23.511 -12.514 -97.778 1.00 24.30 N ATOM 56 CA ARG A 178 -23.303 -11.841 -96.485 1.00 3.45 C ATOM 57 C ARG A 178 -22.616 -10.481 -96.700 1.00 25.42 C ATOM 58 O ARG A 178 -22.641 -9.944 -97.807 1.00 34.30 O ATOM 59 CB ARG A 178 -22.580 -12.773 -95.486 1.00 73.44 C ATOM 60 CG ARG A 178 -23.415 -14.014 -95.118 1.00 23.23 C ATOM 61 CD ARG A 178 -22.612 -15.006 -94.264 1.00 61.32 C ATOM 62 NE ARG A 178 -21.512 -15.614 -95.039 1.00 43.12 N ATOM 63 CZ ARG A 178 -21.600 -16.660 -95.871 1.00 4.41 C ATOM 64 NH1 ARG A 178 -22.726 -17.370 -95.956 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 -20.555 -16.989 -96.626 1.00 63.23 N ATOM 0 H ARG A 178 -24.475 -12.820 -97.912 1.00 24.30 H new ATOM 0 HA ARG A 178 -24.265 -11.622 -96.022 1.00 3.45 H new ATOM 0 HB2 ARG A 178 -21.631 -13.093 -95.916 1.00 73.44 H new ATOM 0 HB3 ARG A 178 -22.347 -12.215 -94.579 1.00 73.44 H new ATOM 0 HG2 ARG A 178 -24.307 -13.704 -94.574 1.00 23.23 H new ATOM 0 HG3 ARG A 178 -23.753 -14.508 -96.029 1.00 23.23 H new ATOM 0 HD2 ARG A 178 -22.205 -14.493 -93.393 1.00 61.32 H new ATOM 0 HD3 ARG A 178 -23.274 -15.788 -93.893 1.00 61.32 H new ATOM 0 HE ARG A 178 -20.589 -15.194 -94.929 1.00 43.12 H new ATOM 0 HH11 ARG A 178 -23.532 -17.118 -95.384 1.00 33.23 H new ATOM 0 HH12 ARG A 178 -22.781 -18.165 -96.593 1.00 33.23 H new ATOM 0 HH21 ARG A 178 -19.694 -16.446 -96.569 1.00 63.23 H new ATOM 0 HH22 ARG A 178 -20.615 -17.784 -97.262 1.00 63.23 H new ATOM 79 N GLN A 179 -22.125 -9.853 -95.631 1.00 24.00 N ATOM 80 CA GLN A 179 -21.359 -8.612 -95.691 1.00 3.32 C ATOM 81 C GLN A 179 -20.597 -8.508 -94.372 1.00 35.51 C ATOM 82 O GLN A 179 -19.478 -9.005 -94.284 1.00 2.32 O ATOM 83 CB GLN A 179 -22.248 -7.383 -95.992 1.00 52.52 C ATOM 84 CG GLN A 179 -23.691 -7.468 -95.461 1.00 55.30 C ATOM 85 CD GLN A 179 -24.328 -6.091 -95.343 1.00 71.53 C ATOM 86 OE1 GLN A 179 -24.446 -5.566 -94.246 1.00 14.25 O ATOM 87 NE2 GLN A 179 -24.730 -5.479 -96.446 1.00 3.14 N ATOM 0 H GLN A 179 -22.252 -10.202 -94.681 1.00 24.00 H new ATOM 0 HA GLN A 179 -20.655 -8.627 -96.523 1.00 3.32 H new ATOM 0 HB2 GLN A 179 -21.773 -6.499 -95.566 1.00 52.52 H new ATOM 0 HB3 GLN A 179 -22.284 -7.237 -97.072 1.00 52.52 H new ATOM 0 HG2 GLN A 179 -24.288 -8.090 -96.128 1.00 55.30 H new ATOM 0 HG3 GLN A 179 -23.692 -7.955 -94.486 1.00 55.30 H new ATOM 0 HE21 GLN A 179 -24.622 -5.936 -97.351 1.00 3.14 H new ATOM 0 HE22 GLN A 179 -25.148 -4.550 -96.390 1.00 3.14 H new ATOM 96 N ARG A 180 -21.231 -7.967 -93.324 1.00 65.05 N ATOM 97 CA ARG A 180 -20.790 -8.204 -91.954 1.00 64.25 C ATOM 98 C ARG A 180 -20.946 -9.688 -91.607 1.00 43.03 C ATOM 99 O ARG A 180 -21.670 -10.421 -92.287 1.00 61.12 O ATOM 100 CB ARG A 180 -21.564 -7.303 -90.966 1.00 54.40 C ATOM 101 CG ARG A 180 -23.058 -7.654 -90.839 1.00 40.31 C ATOM 102 CD ARG A 180 -23.781 -6.758 -89.826 1.00 25.33 C ATOM 103 NE ARG A 180 -25.191 -7.170 -89.695 1.00 63.12 N ATOM 104 CZ ARG A 180 -26.001 -6.975 -88.646 1.00 4.44 C ATOM 105 NH1 ARG A 180 -25.579 -6.361 -87.544 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 -27.263 -7.396 -88.712 1.00 74.54 N ATOM 0 H ARG A 180 -22.050 -7.364 -93.404 1.00 65.05 H new ATOM 0 HA ARG A 180 -19.735 -7.944 -91.869 1.00 64.25 H new ATOM 0 HB2 ARG A 180 -21.099 -7.376 -89.983 1.00 54.40 H new ATOM 0 HB3 ARG A 180 -21.471 -6.265 -91.287 1.00 54.40 H new ATOM 0 HG2 ARG A 180 -23.536 -7.556 -91.814 1.00 40.31 H new ATOM 0 HG3 ARG A 180 -23.160 -8.696 -90.537 1.00 40.31 H new ATOM 0 HD2 ARG A 180 -23.285 -6.819 -88.857 1.00 25.33 H new ATOM 0 HD3 ARG A 180 -23.727 -5.718 -90.147 1.00 25.33 H new ATOM 0 HE ARG A 180 -25.595 -7.659 -90.494 1.00 63.12 H new ATOM 0 HH11 ARG A 180 -24.618 -6.026 -87.483 1.00 33.41 H new ATOM 0 HH12 ARG A 180 -26.217 -6.226 -86.760 1.00 33.41 H new ATOM 0 HH21 ARG A 180 -27.602 -7.861 -89.554 1.00 74.54 H new ATOM 0 HH22 ARG A 180 -27.890 -7.254 -87.920 1.00 74.54 H new ATOM 120 N LEU A 181 -20.349 -10.061 -90.481 1.00 42.44 N ATOM 121 CA LEU A 181 -20.572 -11.281 -89.724 1.00 73.23 C ATOM 122 C LEU A 181 -20.688 -10.763 -88.295 1.00 71.21 C ATOM 123 O LEU A 181 -19.712 -10.269 -87.731 1.00 74.14 O ATOM 124 CB LEU A 181 -19.406 -12.264 -89.955 1.00 33.22 C ATOM 125 CG LEU A 181 -19.624 -13.721 -89.498 1.00 33.35 C ATOM 126 CD1 LEU A 181 -19.996 -13.862 -88.018 1.00 5.21 C ATOM 127 CD2 LEU A 181 -20.644 -14.458 -90.377 1.00 70.12 C ATOM 0 H LEU A 181 -19.642 -9.471 -90.042 1.00 42.44 H new ATOM 0 HA LEU A 181 -21.454 -11.855 -90.006 1.00 73.23 H new ATOM 0 HB2 LEU A 181 -19.175 -12.273 -91.020 1.00 33.22 H new ATOM 0 HB3 LEU A 181 -18.527 -11.875 -89.442 1.00 33.22 H new ATOM 0 HG LEU A 181 -18.650 -14.195 -89.621 1.00 33.35 H new ATOM 0 HD11 LEU A 181 -20.132 -14.916 -87.776 1.00 5.21 H new ATOM 0 HD12 LEU A 181 -19.198 -13.448 -87.401 1.00 5.21 H new ATOM 0 HD13 LEU A 181 -20.923 -13.322 -87.823 1.00 5.21 H new ATOM 0 HD21 LEU A 181 -20.764 -15.480 -90.017 1.00 70.12 H new ATOM 0 HD22 LEU A 181 -21.603 -13.942 -90.332 1.00 70.12 H new ATOM 0 HD23 LEU A 181 -20.290 -14.476 -91.408 1.00 70.12 H new ATOM 139 N GLN A 182 -21.908 -10.703 -87.782 1.00 62.31 N ATOM 140 CA GLN A 182 -22.274 -10.171 -86.479 1.00 40.10 C ATOM 141 C GLN A 182 -23.622 -10.817 -86.138 1.00 63.11 C ATOM 142 O GLN A 182 -24.676 -10.181 -86.186 1.00 12.30 O ATOM 143 CB GLN A 182 -22.342 -8.642 -86.561 1.00 72.53 C ATOM 144 CG GLN A 182 -22.581 -7.964 -85.207 1.00 23.40 C ATOM 145 CD GLN A 182 -22.638 -6.443 -85.349 1.00 41.05 C ATOM 146 OE1 GLN A 182 -23.132 -5.908 -86.340 1.00 54.13 O ATOM 147 NE2 GLN A 182 -22.152 -5.713 -84.359 1.00 22.23 N ATOM 0 H GLN A 182 -22.719 -11.046 -88.297 1.00 62.31 H new ATOM 0 HA GLN A 182 -21.550 -10.398 -85.696 1.00 40.10 H new ATOM 0 HB2 GLN A 182 -21.411 -8.268 -86.986 1.00 72.53 H new ATOM 0 HB3 GLN A 182 -23.141 -8.359 -87.246 1.00 72.53 H new ATOM 0 HG2 GLN A 182 -23.515 -8.326 -84.776 1.00 23.40 H new ATOM 0 HG3 GLN A 182 -21.784 -8.237 -84.516 1.00 23.40 H new ATOM 0 HE21 GLN A 182 -21.745 -6.168 -83.542 1.00 22.23 H new ATOM 0 HE22 GLN A 182 -22.185 -4.695 -84.412 1.00 22.23 H new ATOM 156 N ASP A 183 -23.566 -12.105 -85.811 1.00 20.03 N ATOM 157 CA ASP A 183 -24.672 -13.058 -85.870 1.00 43.12 C ATOM 158 C ASP A 183 -24.857 -13.695 -84.492 1.00 32.23 C ATOM 159 O ASP A 183 -25.707 -14.549 -84.288 1.00 34.24 O ATOM 160 CB ASP A 183 -24.332 -14.138 -86.908 1.00 20.31 C ATOM 161 CG ASP A 183 -24.292 -13.652 -88.366 1.00 12.13 C ATOM 162 OD1 ASP A 183 -23.398 -12.830 -88.681 1.00 22.45 O ATOM 163 OD2 ASP A 183 -25.116 -14.099 -89.185 1.00 23.45 O1- ATOM 0 H ASP A 183 -22.703 -12.535 -85.480 1.00 20.03 H new ATOM 0 HA ASP A 183 -25.595 -12.555 -86.156 1.00 43.12 H new ATOM 0 HB2 ASP A 183 -23.362 -14.568 -86.658 1.00 20.31 H new ATOM 0 HB3 ASP A 183 -25.066 -14.940 -86.829 1.00 20.31 H new ATOM 168 N THR A 184 -24.032 -13.282 -83.531 1.00 51.30 N ATOM 169 CA THR A 184 -23.761 -13.979 -82.283 1.00 22.11 C ATOM 170 C THR A 184 -24.162 -13.133 -81.065 1.00 53.13 C ATOM 171 O THR A 184 -24.020 -13.597 -79.938 1.00 71.31 O ATOM 172 CB THR A 184 -22.267 -14.368 -82.291 1.00 3.31 C ATOM 173 OG1 THR A 184 -21.900 -15.044 -81.108 1.00 25.41 O ATOM 174 CG2 THR A 184 -21.331 -13.155 -82.503 1.00 51.10 C ATOM 0 H THR A 184 -23.511 -12.409 -83.609 1.00 51.30 H new ATOM 0 HA THR A 184 -24.365 -14.882 -82.202 1.00 22.11 H new ATOM 0 HB THR A 184 -22.144 -15.039 -83.141 1.00 3.31 H new ATOM 0 HG1 THR A 184 -22.435 -14.707 -80.359 1.00 25.41 H new ATOM 0 HG21 THR A 184 -20.294 -13.491 -82.499 1.00 51.10 H new ATOM 0 HG22 THR A 184 -21.557 -12.684 -83.460 1.00 51.10 H new ATOM 0 HG23 THR A 184 -21.482 -12.434 -81.699 1.00 51.10 H new ATOM 182 N VAL A 185 -24.642 -11.905 -81.303 1.00 43.51 N ATOM 183 CA VAL A 185 -25.241 -11.012 -80.294 1.00 73.04 C ATOM 184 C VAL A 185 -24.333 -10.775 -79.055 1.00 11.42 C ATOM 185 O VAL A 185 -24.815 -10.458 -77.969 1.00 54.52 O ATOM 186 CB VAL A 185 -26.684 -11.489 -79.943 1.00 23.54 C ATOM 187 CG1 VAL A 185 -27.563 -10.339 -79.411 1.00 72.43 C ATOM 188 CG2 VAL A 185 -27.446 -12.067 -81.155 1.00 23.12 C ATOM 0 H VAL A 185 -24.625 -11.489 -82.234 1.00 43.51 H new ATOM 0 HA VAL A 185 -25.326 -10.019 -80.736 1.00 73.04 H new ATOM 0 HB VAL A 185 -26.527 -12.259 -79.187 1.00 23.54 H new ATOM 0 HG11 VAL A 185 -28.558 -10.719 -79.180 1.00 72.43 H new ATOM 0 HG12 VAL A 185 -27.114 -9.926 -78.508 1.00 72.43 H new ATOM 0 HG13 VAL A 185 -27.639 -9.559 -80.168 1.00 72.43 H new ATOM 0 HG21 VAL A 185 -28.442 -12.380 -80.843 1.00 23.12 H new ATOM 0 HG22 VAL A 185 -27.531 -11.304 -81.929 1.00 23.12 H new ATOM 0 HG23 VAL A 185 -26.903 -12.926 -81.550 1.00 23.12 H new ATOM 198 N GLY A 186 -23.007 -10.898 -79.193 1.00 64.11 N ATOM 199 CA GLY A 186 -22.067 -10.778 -78.088 1.00 14.24 C ATOM 200 C GLY A 186 -21.925 -9.320 -77.673 1.00 62.45 C ATOM 201 O GLY A 186 -21.215 -8.567 -78.338 1.00 21.23 O ATOM 0 H GLY A 186 -22.558 -11.086 -80.089 1.00 64.11 H new ATOM 0 HA2 GLY A 186 -22.412 -11.372 -77.242 1.00 14.24 H new ATOM 0 HA3 GLY A 186 -21.096 -11.176 -78.383 1.00 14.24 H new ATOM 205 N LEU A 187 -22.598 -8.917 -76.593 1.00 72.41 N ATOM 206 CA LEU A 187 -22.508 -7.592 -75.998 1.00 12.03 C ATOM 207 C LEU A 187 -22.536 -7.759 -74.477 1.00 61.21 C ATOM 208 O LEU A 187 -23.226 -8.645 -73.974 1.00 12.43 O ATOM 209 CB LEU A 187 -23.673 -6.733 -76.528 1.00 63.55 C ATOM 210 CG LEU A 187 -23.772 -5.325 -75.900 1.00 32.34 C ATOM 211 CD1 LEU A 187 -24.250 -4.306 -76.941 1.00 15.23 C ATOM 212 CD2 LEU A 187 -24.751 -5.289 -74.716 1.00 11.21 C ATOM 0 H LEU A 187 -23.243 -9.531 -76.095 1.00 72.41 H new ATOM 0 HA LEU A 187 -21.583 -7.080 -76.265 1.00 12.03 H new ATOM 0 HB2 LEU A 187 -23.568 -6.628 -77.608 1.00 63.55 H new ATOM 0 HB3 LEU A 187 -24.609 -7.263 -76.349 1.00 63.55 H new ATOM 0 HG LEU A 187 -22.773 -5.073 -75.544 1.00 32.34 H new ATOM 0 HD11 LEU A 187 -24.314 -3.320 -76.482 1.00 15.23 H new ATOM 0 HD12 LEU A 187 -23.544 -4.275 -77.771 1.00 15.23 H new ATOM 0 HD13 LEU A 187 -25.232 -4.598 -77.312 1.00 15.23 H new ATOM 0 HD21 LEU A 187 -24.789 -4.280 -74.306 1.00 11.21 H new ATOM 0 HD22 LEU A 187 -25.745 -5.580 -75.057 1.00 11.21 H new ATOM 0 HD23 LEU A 187 -24.415 -5.982 -73.945 1.00 11.21 H new ATOM 674 N MET A 214 -10.884 -1.809 -11.077 1.00 0.24 N ATOM 675 CA MET A 214 -11.187 -0.760 -10.098 1.00 32.05 C ATOM 676 C MET A 214 -12.655 -0.762 -9.651 1.00 23.33 C ATOM 677 O MET A 214 -13.238 0.295 -9.408 1.00 53.34 O ATOM 678 CB MET A 214 -10.659 0.613 -10.560 1.00 13.22 C ATOM 679 CG MET A 214 -11.305 1.114 -11.857 1.00 41.51 C ATOM 680 SD MET A 214 -10.875 2.802 -12.342 1.00 21.51 S ATOM 681 CE MET A 214 -11.809 3.688 -11.067 1.00 63.42 C ATOM 0 HA MET A 214 -10.637 -0.994 -9.186 1.00 32.05 H new ATOM 0 HB2 MET A 214 -10.834 1.344 -9.771 1.00 13.22 H new ATOM 0 HB3 MET A 214 -9.580 0.549 -10.702 1.00 13.22 H new ATOM 0 HG2 MET A 214 -11.024 0.440 -12.666 1.00 41.51 H new ATOM 0 HG3 MET A 214 -12.388 1.050 -11.751 1.00 41.51 H new ATOM 0 HE1 MET A 214 -11.910 4.735 -11.352 1.00 63.42 H new ATOM 0 HE2 MET A 214 -12.799 3.242 -10.965 1.00 63.42 H new ATOM 0 HE3 MET A 214 -11.281 3.620 -10.116 1.00 63.42 H new ATOM 691 N LEU A 215 -13.223 -1.962 -9.482 1.00 34.21 N ATOM 692 CA LEU A 215 -14.526 -2.166 -8.866 1.00 73.12 C ATOM 693 C LEU A 215 -14.526 -1.596 -7.443 1.00 63.53 C ATOM 694 O LEU A 215 -13.467 -1.324 -6.871 1.00 4.22 O ATOM 695 CB LEU A 215 -14.913 -3.663 -8.952 1.00 11.32 C ATOM 696 CG LEU A 215 -14.684 -4.614 -7.745 1.00 5.51 C ATOM 697 CD1 LEU A 215 -14.682 -6.056 -8.269 1.00 20.01 C ATOM 698 CD2 LEU A 215 -13.406 -4.425 -6.905 1.00 75.40 C ATOM 0 H LEU A 215 -12.776 -2.830 -9.777 1.00 34.21 H new ATOM 0 HA LEU A 215 -15.300 -1.620 -9.405 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -15.974 -3.706 -9.197 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -14.373 -4.085 -9.799 1.00 11.32 H new ATOM 0 HG LEU A 215 -15.498 -4.370 -7.062 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -14.523 -6.744 -7.439 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -15.640 -6.273 -8.741 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -13.882 -6.177 -8.999 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -13.387 -5.160 -6.101 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -12.530 -4.559 -7.540 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -13.395 -3.422 -6.479 1.00 75.40 H new ATOM 710 N GLU A 216 -15.694 -1.483 -6.822 1.00 42.34 N ATOM 711 CA GLU A 216 -15.813 -0.990 -5.456 1.00 21.22 C ATOM 712 C GLU A 216 -16.684 -1.981 -4.686 1.00 61.20 C ATOM 713 O GLU A 216 -17.832 -1.702 -4.348 1.00 11.33 O ATOM 714 CB GLU A 216 -16.344 0.459 -5.441 1.00 25.21 C ATOM 715 CG GLU A 216 -15.352 1.477 -6.035 1.00 54.02 C ATOM 716 CD GLU A 216 -15.942 2.889 -6.110 1.00 1.13 C ATOM 717 OE1 GLU A 216 -16.302 3.465 -5.058 1.00 44.35 O1- ATOM 718 OE2 GLU A 216 -16.109 3.421 -7.228 1.00 13.22 O ATOM 0 H GLU A 216 -16.585 -1.731 -7.252 1.00 42.34 H new ATOM 0 HA GLU A 216 -14.843 -0.934 -4.962 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -17.278 0.502 -6.002 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -16.575 0.743 -4.414 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -14.447 1.496 -5.428 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -15.059 1.155 -7.034 1.00 54.02 H new ATOM 725 N LYS A 217 -16.160 -3.195 -4.482 1.00 71.23 N ATOM 726 CA LYS A 217 -16.894 -4.299 -3.871 1.00 24.12 C ATOM 727 C LYS A 217 -15.908 -5.168 -3.100 1.00 41.53 C ATOM 728 O LYS A 217 -15.461 -6.207 -3.591 1.00 65.12 O ATOM 729 CB LYS A 217 -17.665 -5.047 -4.973 1.00 63.53 C ATOM 730 CG LYS A 217 -18.716 -6.029 -4.429 1.00 33.31 C ATOM 731 CD LYS A 217 -19.472 -6.630 -5.619 1.00 21.23 C ATOM 732 CE LYS A 217 -20.547 -7.642 -5.215 1.00 11.23 C ATOM 733 NZ LYS A 217 -20.983 -8.433 -6.387 1.00 34.23 N1+ ATOM 0 H LYS A 217 -15.204 -3.437 -4.741 1.00 71.23 H new ATOM 0 HA LYS A 217 -17.637 -3.955 -3.151 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -18.158 -4.320 -5.618 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -16.956 -5.594 -5.594 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -18.236 -6.816 -3.847 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -19.407 -5.515 -3.761 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -19.938 -5.825 -6.187 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -18.758 -7.117 -6.284 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -20.157 -8.307 -4.445 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -21.401 -7.121 -4.783 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -21.712 -9.114 -6.094 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -21.375 -7.796 -7.110 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -20.169 -8.946 -6.782 1.00 34.23 H new ATOM 747 N CYS A 218 -15.524 -4.726 -1.907 1.00 72.34 N ATOM 748 CA CYS A 218 -14.682 -5.475 -0.983 1.00 52.25 C ATOM 749 C CYS A 218 -15.170 -5.123 0.429 1.00 53.24 C ATOM 750 O CYS A 218 -14.699 -4.149 0.997 1.00 3.44 O ATOM 751 CB CYS A 218 -13.201 -5.133 -1.219 1.00 41.44 C ATOM 752 SG CYS A 218 -12.158 -6.406 -0.454 1.00 24.22 S ATOM 0 H CYS A 218 -15.798 -3.812 -1.547 1.00 72.34 H new ATOM 0 HA CYS A 218 -14.757 -6.552 -1.131 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -12.996 -5.074 -2.288 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -12.970 -4.156 -0.795 1.00 41.44 H new ATOM 0 HG CYS A 218 -11.195 -6.724 -1.267 1.00 24.22 H new ATOM 758 N PRO A 219 -16.200 -5.814 0.959 1.00 2.24 N ATOM 759 CA PRO A 219 -16.860 -5.421 2.202 1.00 23.03 C ATOM 760 C PRO A 219 -16.086 -5.828 3.466 1.00 53.55 C ATOM 761 O PRO A 219 -16.566 -5.585 4.570 1.00 51.44 O ATOM 762 CB PRO A 219 -18.224 -6.126 2.148 1.00 13.32 C ATOM 763 CG PRO A 219 -17.912 -7.414 1.387 1.00 34.20 C ATOM 764 CD PRO A 219 -16.876 -6.954 0.361 1.00 63.34 C ATOM 0 HA PRO A 219 -16.934 -4.336 2.271 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -18.613 -6.330 3.145 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -18.971 -5.522 1.632 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -17.515 -8.187 2.045 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -18.800 -7.827 0.909 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -16.169 -7.752 0.135 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -17.354 -6.676 -0.578 1.00 63.34 H new ATOM 772 N PHE A 220 -14.967 -6.549 3.341 1.00 52.33 N ATOM 773 CA PHE A 220 -14.297 -7.136 4.480 1.00 13.33 C ATOM 774 C PHE A 220 -13.636 -6.036 5.321 1.00 31.11 C ATOM 775 O PHE A 220 -13.057 -5.103 4.763 1.00 61.21 O ATOM 776 CB PHE A 220 -13.261 -8.146 3.966 1.00 12.53 C ATOM 777 CG PHE A 220 -13.869 -9.219 3.078 1.00 53.04 C ATOM 778 CD1 PHE A 220 -14.862 -10.078 3.587 1.00 11.32 C ATOM 779 CD2 PHE A 220 -13.493 -9.315 1.723 1.00 43.24 C ATOM 780 CE1 PHE A 220 -15.487 -11.013 2.744 1.00 35.04 C ATOM 781 CE2 PHE A 220 -14.112 -10.259 0.884 1.00 24.41 C ATOM 782 CZ PHE A 220 -15.111 -11.108 1.392 1.00 24.35 C ATOM 0 H PHE A 220 -14.511 -6.735 2.448 1.00 52.33 H new ATOM 0 HA PHE A 220 -15.012 -7.654 5.119 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.489 -7.615 3.409 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.771 -8.620 4.816 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -15.144 -10.018 4.628 1.00 11.32 H new ATOM 0 HD2 PHE A 220 -12.728 -8.663 1.328 1.00 43.24 H new ATOM 0 HE1 PHE A 220 -16.258 -11.660 3.135 1.00 35.04 H new ATOM 0 HE2 PHE A 220 -13.819 -10.332 -0.153 1.00 24.41 H new ATOM 0 HZ PHE A 220 -15.588 -11.831 0.746 1.00 24.35 H new ATOM 792 N PRO A 221 -13.627 -6.179 6.653 1.00 52.42 N ATOM 793 CA PRO A 221 -12.955 -5.249 7.542 1.00 64.02 C ATOM 794 C PRO A 221 -11.441 -5.381 7.382 1.00 52.52 C ATOM 795 O PRO A 221 -10.916 -6.477 7.148 1.00 61.24 O ATOM 796 CB PRO A 221 -13.437 -5.604 8.953 1.00 3.32 C ATOM 797 CG PRO A 221 -13.868 -7.068 8.851 1.00 31.34 C ATOM 798 CD PRO A 221 -14.308 -7.222 7.393 1.00 13.23 C ATOM 0 HA PRO A 221 -13.187 -4.207 7.321 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -12.643 -5.474 9.688 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -14.265 -4.967 9.262 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -13.048 -7.744 9.094 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -14.682 -7.294 9.540 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -14.044 -8.207 7.009 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -15.389 -7.123 7.300 1.00 13.23 H new ATOM 806 N ALA A 222 -10.736 -4.260 7.548 1.00 15.10 N ATOM 807 CA ALA A 222 -9.283 -4.224 7.527 1.00 33.50 C ATOM 808 C ALA A 222 -8.732 -5.167 8.589 1.00 45.31 C ATOM 809 O ALA A 222 -9.277 -5.274 9.686 1.00 5.14 O ATOM 810 CB ALA A 222 -8.795 -2.791 7.754 1.00 54.51 C ATOM 0 H ALA A 222 -11.166 -3.348 7.702 1.00 15.10 H new ATOM 0 HA ALA A 222 -8.922 -4.555 6.553 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -7.705 -2.771 7.737 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -9.182 -2.146 6.966 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -9.150 -2.435 8.721 1.00 54.51 H new ATOM 816 N GLY A 223 -7.650 -5.851 8.232 1.00 72.54 N ATOM 817 CA GLY A 223 -7.035 -6.873 9.054 1.00 54.34 C ATOM 818 C GLY A 223 -7.630 -8.261 8.823 1.00 13.20 C ATOM 819 O GLY A 223 -7.100 -9.234 9.352 1.00 13.51 O ATOM 0 H GLY A 223 -7.171 -5.703 7.344 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -5.965 -6.903 8.847 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -7.149 -6.605 10.104 1.00 54.34 H new ATOM 823 N SER A 224 -8.700 -8.396 8.030 1.00 12.10 N ATOM 824 CA SER A 224 -9.102 -9.711 7.558 1.00 32.34 C ATOM 825 C SER A 224 -8.041 -10.240 6.585 1.00 62.33 C ATOM 826 O SER A 224 -7.545 -9.494 5.733 1.00 52.54 O ATOM 827 CB SER A 224 -10.454 -9.654 6.845 1.00 2.20 C ATOM 828 OG SER A 224 -11.453 -9.070 7.642 1.00 61.34 O ATOM 0 H SER A 224 -9.287 -7.625 7.712 1.00 12.10 H new ATOM 0 HA SER A 224 -9.196 -10.373 8.419 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.351 -9.085 5.921 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.758 -10.663 6.566 1.00 2.20 H new ATOM 0 HG SER A 224 -11.385 -8.094 7.588 1.00 61.34 H new ATOM 834 N ASP A 225 -7.854 -11.566 6.595 1.00 61.25 N ATOM 835 CA ASP A 225 -7.243 -12.328 5.498 1.00 53.22 C ATOM 836 C ASP A 225 -7.838 -11.839 4.181 1.00 11.51 C ATOM 837 O ASP A 225 -7.113 -11.407 3.298 1.00 20.21 O ATOM 838 CB ASP A 225 -7.532 -13.836 5.666 1.00 65.42 C ATOM 839 CG ASP A 225 -7.417 -14.632 4.350 1.00 1.12 C ATOM 840 OD1 ASP A 225 -8.432 -14.718 3.625 1.00 54.24 O1- ATOM 841 OD2 ASP A 225 -6.359 -15.217 4.035 1.00 40.32 O ATOM 0 H ASP A 225 -8.129 -12.152 7.383 1.00 61.25 H new ATOM 0 HA ASP A 225 -6.163 -12.179 5.506 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -6.838 -14.252 6.396 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -8.535 -13.963 6.072 1.00 65.42 H new ATOM 846 N LEU A 226 -9.168 -11.859 4.081 1.00 65.13 N ATOM 847 CA LEU A 226 -9.874 -11.660 2.825 1.00 13.44 C ATOM 848 C LEU A 226 -9.627 -10.255 2.271 1.00 72.23 C ATOM 849 O LEU A 226 -9.461 -10.084 1.063 1.00 44.25 O ATOM 850 CB LEU A 226 -11.376 -11.898 3.044 1.00 21.33 C ATOM 851 CG LEU A 226 -11.727 -13.361 3.396 1.00 42.04 C ATOM 852 CD1 LEU A 226 -13.102 -13.438 4.064 1.00 2.14 C ATOM 853 CD2 LEU A 226 -11.716 -14.254 2.151 1.00 31.03 C ATOM 0 H LEU A 226 -9.785 -12.015 4.878 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.497 -12.373 2.092 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.725 -11.247 3.845 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.916 -11.611 2.142 1.00 21.33 H new ATOM 0 HG LEU A 226 -10.966 -13.721 4.088 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.332 -14.476 4.305 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -13.095 -12.846 4.979 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -13.859 -13.047 3.384 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -11.967 -15.276 2.434 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -12.449 -13.886 1.433 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -10.724 -14.236 1.699 1.00 31.03 H new ATOM 865 N ALA A 227 -9.582 -9.252 3.159 1.00 33.13 N ATOM 866 CA ALA A 227 -9.312 -7.867 2.801 1.00 31.51 C ATOM 867 C ALA A 227 -7.895 -7.734 2.242 1.00 61.32 C ATOM 868 O ALA A 227 -7.691 -7.058 1.238 1.00 1.22 O ATOM 869 CB ALA A 227 -9.492 -6.957 4.026 1.00 20.11 C ATOM 0 H ALA A 227 -9.735 -9.390 4.158 1.00 33.13 H new ATOM 0 HA ALA A 227 -10.020 -7.558 2.032 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -9.287 -5.924 3.745 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -10.516 -7.037 4.392 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -8.801 -7.263 4.811 1.00 20.11 H new ATOM 875 N GLN A 228 -6.912 -8.367 2.885 1.00 2.11 N ATOM 876 CA GLN A 228 -5.524 -8.310 2.449 1.00 62.54 C ATOM 877 C GLN A 228 -5.331 -9.115 1.157 1.00 60.13 C ATOM 878 O GLN A 228 -4.670 -8.639 0.233 1.00 43.54 O ATOM 879 CB GLN A 228 -4.608 -8.781 3.590 1.00 74.33 C ATOM 880 CG GLN A 228 -4.600 -7.743 4.730 1.00 13.33 C ATOM 881 CD GLN A 228 -3.833 -8.178 5.976 1.00 64.54 C ATOM 882 OE1 GLN A 228 -4.276 -7.938 7.089 1.00 5.12 O ATOM 883 NE2 GLN A 228 -2.654 -8.767 5.840 1.00 5.01 N ATOM 0 H GLN A 228 -7.060 -8.932 3.721 1.00 2.11 H new ATOM 0 HA GLN A 228 -5.250 -7.282 2.213 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.951 -9.744 3.968 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -3.595 -8.928 3.216 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -4.166 -6.815 4.357 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -5.630 -7.523 5.011 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -2.288 -8.966 4.909 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -2.113 -9.022 6.666 1.00 5.01 H new ATOM 892 N LYS A 229 -5.924 -10.310 1.054 1.00 14.24 N ATOM 893 CA LYS A 229 -5.801 -11.177 -0.118 1.00 61.11 C ATOM 894 C LYS A 229 -6.309 -10.493 -1.377 1.00 50.14 C ATOM 895 O LYS A 229 -5.735 -10.744 -2.429 1.00 20.33 O ATOM 896 CB LYS A 229 -6.523 -12.522 0.090 1.00 43.15 C ATOM 897 CG LYS A 229 -5.802 -13.424 1.111 1.00 65.30 C ATOM 898 CD LYS A 229 -5.490 -14.833 0.583 1.00 2.11 C ATOM 899 CE LYS A 229 -6.710 -15.752 0.407 1.00 22.04 C ATOM 900 NZ LYS A 229 -7.314 -16.143 1.695 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.508 -10.704 1.791 1.00 14.24 H new ATOM 0 HA LYS A 229 -4.738 -11.380 -0.247 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -7.542 -12.336 0.430 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -6.596 -13.044 -0.864 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -4.870 -12.944 1.411 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -6.419 -13.510 2.005 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -4.984 -14.740 -0.378 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -4.790 -15.313 1.267 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -7.458 -15.245 -0.202 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -6.410 -16.648 -0.137 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -7.763 -17.076 1.599 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -6.575 -16.188 2.426 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -8.030 -15.441 1.970 1.00 4.21 H new ATOM 914 N TRP A 230 -7.287 -9.587 -1.297 1.00 13.20 N ATOM 915 CA TRP A 230 -7.746 -8.795 -2.436 1.00 72.33 C ATOM 916 C TRP A 230 -6.569 -8.110 -3.157 1.00 31.00 C ATOM 917 O TRP A 230 -6.535 -8.078 -4.388 1.00 23.12 O ATOM 918 CB TRP A 230 -8.813 -7.800 -1.948 1.00 34.15 C ATOM 919 CG TRP A 230 -9.325 -6.819 -2.956 1.00 61.20 C ATOM 920 CD1 TRP A 230 -10.417 -6.965 -3.739 1.00 14.12 C ATOM 921 CD2 TRP A 230 -8.794 -5.500 -3.261 1.00 53.24 C ATOM 922 NE1 TRP A 230 -10.574 -5.845 -4.532 1.00 24.03 N ATOM 923 CE2 TRP A 230 -9.616 -4.890 -4.254 1.00 13.24 C ATOM 924 CE3 TRP A 230 -7.707 -4.753 -2.767 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -9.380 -3.587 -4.719 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -7.456 -3.447 -3.229 1.00 33.44 C ATOM 927 CH2 TRP A 230 -8.299 -2.859 -4.190 1.00 4.35 C ATOM 0 H TRP A 230 -7.786 -9.382 -0.431 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.202 -9.446 -3.182 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -9.660 -8.369 -1.566 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -8.399 -7.241 -1.108 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.068 -7.827 -3.744 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -11.306 -5.737 -5.235 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -7.057 -5.188 -2.023 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -10.019 -3.150 -5.472 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -6.612 -2.894 -2.844 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -8.116 -1.848 -4.522 1.00 4.35 H new ATOM 938 N HIS A 231 -5.555 -7.626 -2.427 1.00 41.52 N ATOM 939 CA HIS A 231 -4.398 -6.951 -3.018 1.00 44.11 C ATOM 940 C HIS A 231 -3.464 -7.908 -3.786 1.00 62.42 C ATOM 941 O HIS A 231 -2.568 -7.445 -4.492 1.00 2.10 O ATOM 942 CB HIS A 231 -3.630 -6.166 -1.936 1.00 73.30 C ATOM 943 CG HIS A 231 -3.257 -4.763 -2.360 1.00 1.23 C ATOM 944 ND1 HIS A 231 -3.667 -3.602 -1.740 1.00 54.43 N ATOM 945 CD2 HIS A 231 -2.467 -4.404 -3.421 1.00 54.44 C ATOM 946 CE1 HIS A 231 -3.138 -2.568 -2.417 1.00 44.02 C ATOM 947 NE2 HIS A 231 -2.413 -3.006 -3.458 1.00 72.12 N ATOM 0 H HIS A 231 -5.516 -7.693 -1.410 1.00 41.52 H new ATOM 0 HA HIS A 231 -4.781 -6.251 -3.761 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -4.240 -6.115 -1.034 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -2.723 -6.712 -1.677 1.00 73.30 H new ATOM 0 HD2 HIS A 231 -1.975 -5.079 -4.106 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -3.277 -1.529 -2.159 1.00 44.02 H new ATOM 0 HE2 HIS A 231 -1.919 -2.432 -4.142 1.00 72.12 H new ATOM 955 N LEU A 232 -3.648 -9.230 -3.687 1.00 43.21 N ATOM 956 CA LEU A 232 -2.943 -10.197 -4.530 1.00 54.14 C ATOM 957 C LEU A 232 -3.457 -10.093 -5.967 1.00 63.01 C ATOM 958 O LEU A 232 -2.663 -10.047 -6.911 1.00 33.14 O ATOM 959 CB LEU A 232 -3.150 -11.619 -3.982 1.00 63.34 C ATOM 960 CG LEU A 232 -2.388 -12.722 -4.740 1.00 62.14 C ATOM 961 CD1 LEU A 232 -0.868 -12.584 -4.586 1.00 23.25 C ATOM 962 CD2 LEU A 232 -2.835 -14.084 -4.195 1.00 64.32 C ATOM 0 H LEU A 232 -4.290 -9.657 -3.020 1.00 43.21 H new ATOM 0 HA LEU A 232 -1.875 -9.977 -4.522 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -2.843 -11.638 -2.936 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -4.215 -11.851 -4.006 1.00 63.34 H new ATOM 0 HG LEU A 232 -2.617 -12.630 -5.802 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -0.372 -13.383 -5.137 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -0.548 -11.619 -4.980 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -0.602 -12.651 -3.531 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -2.305 -14.878 -4.721 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -2.610 -14.141 -3.130 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -3.908 -14.202 -4.346 1.00 64.32 H new ATOM 974 N ILE A 233 -4.784 -10.063 -6.120 1.00 20.31 N ATOM 975 CA ILE A 233 -5.463 -9.952 -7.406 1.00 12.23 C ATOM 976 C ILE A 233 -5.361 -8.503 -7.906 1.00 33.40 C ATOM 977 O ILE A 233 -5.136 -8.327 -9.105 1.00 73.01 O ATOM 978 CB ILE A 233 -6.929 -10.448 -7.304 1.00 31.24 C ATOM 979 CG1 ILE A 233 -7.058 -11.837 -6.624 1.00 41.21 C ATOM 980 CG2 ILE A 233 -7.567 -10.573 -8.700 1.00 11.11 C ATOM 981 CD1 ILE A 233 -7.429 -11.739 -5.143 1.00 1.50 C ATOM 0 H ILE A 233 -5.428 -10.117 -5.331 1.00 20.31 H new ATOM 0 HA ILE A 233 -4.976 -10.596 -8.138 1.00 12.23 H new ATOM 0 HB ILE A 233 -7.439 -9.701 -6.696 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -7.815 -12.423 -7.146 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -6.115 -12.374 -6.723 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -8.595 -10.922 -8.600 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -7.561 -9.600 -9.191 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -6.998 -11.285 -9.298 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -7.505 -12.741 -4.720 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -6.660 -11.178 -4.612 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -8.386 -11.228 -5.041 1.00 1.50 H new ATOM 993 N LYS A 234 -5.420 -7.516 -6.990 1.00 35.12 N ATOM 994 CA LYS A 234 -5.299 -6.073 -7.145 1.00 65.43 C ATOM 995 C LYS A 234 -6.093 -5.514 -8.326 1.00 71.04 C ATOM 996 O LYS A 234 -5.558 -5.404 -9.429 1.00 11.24 O ATOM 997 CB LYS A 234 -3.839 -5.615 -7.062 1.00 41.01 C ATOM 998 CG LYS A 234 -2.825 -6.405 -7.895 1.00 40.11 C ATOM 999 CD LYS A 234 -1.583 -5.590 -8.285 1.00 52.01 C ATOM 1000 CE LYS A 234 -1.821 -4.877 -9.620 1.00 24.13 C ATOM 1001 NZ LYS A 234 -1.822 -5.805 -10.776 1.00 64.53 N1+ ATOM 0 H LYS A 234 -5.572 -7.753 -6.010 1.00 35.12 H new ATOM 0 HA LYS A 234 -5.791 -5.615 -6.287 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -3.792 -4.570 -7.369 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -3.528 -5.655 -6.018 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -2.511 -7.284 -7.332 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -3.313 -6.764 -8.801 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -1.359 -4.859 -7.508 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -0.717 -6.247 -8.364 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -2.775 -4.352 -9.581 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -1.048 -4.123 -9.766 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -1.680 -5.266 -11.654 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -1.053 -6.497 -10.667 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -2.733 -6.304 -10.820 1.00 64.53 H new ATOM 1015 N GLN A 235 -7.325 -5.061 -8.043 1.00 72.02 N ATOM 1016 CA GLN A 235 -8.420 -4.815 -8.968 1.00 11.35 C ATOM 1017 C GLN A 235 -8.843 -6.139 -9.636 1.00 33.24 C ATOM 1018 O GLN A 235 -8.257 -7.191 -9.398 1.00 30.21 O ATOM 1019 CB GLN A 235 -8.070 -3.670 -9.930 1.00 22.32 C ATOM 1020 CG GLN A 235 -8.120 -2.274 -9.283 1.00 50.13 C ATOM 1021 CD GLN A 235 -6.956 -1.927 -8.361 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -5.811 -1.807 -8.787 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -7.219 -1.715 -7.090 1.00 43.20 N ATOM 0 H GLN A 235 -7.592 -4.843 -7.083 1.00 72.02 H new ATOM 0 HA GLN A 235 -9.304 -4.462 -8.438 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -7.070 -3.838 -10.331 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -8.760 -3.694 -10.774 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -8.165 -1.528 -10.077 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -9.046 -2.191 -8.714 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -8.173 -1.816 -6.743 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -6.469 -1.449 -6.452 1.00 43.20 H new