USER MOD reduce.3.24.130724 H: found=0, std=0, add=229, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 229 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 277 THR OG1 : rot 180:sc= -0.0755 USER MOD Set 1.2: A 278 ASN : amide:sc= -0.64 K(o=-0.72,f=-4.3!) USER MOD Single : A 263 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 266 MET CE :methyl 159:sc= -0.107 (180deg=-0.962) USER MOD Single : A 267 MET CE :methyl -146:sc= 0 (180deg=-0.0271) USER MOD Single : A 270 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 272 CYS SG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 279 SER OG : rot 180:sc= 0 USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 282 GLN : amide:sc= -0.778 K(o=-0.78,f=0.011) USER MOD Single : A 283 SER OG : rot 180:sc= 0 USER MOD Single : A 285 THR OG1 : rot 180:sc= 0.00989 USER MOD ----------------------------------------------------------------- ATOM 10 N PRO A 259 -12.616 -22.503 1.596 1.00 0.00 N ATOM 11 CA PRO A 259 -11.628 -22.671 0.483 1.00 0.00 C ATOM 12 C PRO A 259 -10.191 -22.744 1.005 1.00 0.00 C ATOM 13 O PRO A 259 -9.326 -23.371 0.385 1.00 0.00 O ATOM 14 CB PRO A 259 -11.855 -21.418 -0.373 1.00 0.00 C ATOM 15 CG PRO A 259 -13.075 -20.663 0.165 1.00 0.00 C ATOM 16 CD PRO A 259 -13.502 -21.295 1.492 1.00 0.00 C ATOM 0 HA PRO A 259 -11.766 -23.599 -0.071 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -10.973 -20.778 -0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -12.014 -21.697 -1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -12.833 -19.610 0.309 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -13.893 -20.707 -0.554 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -13.353 -20.613 2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -14.557 -21.568 1.487 1.00 0.00 H new ATOM 24 N ARG A 260 -9.936 -22.128 2.139 1.00 0.00 N ATOM 25 CA ARG A 260 -8.566 -22.152 2.748 1.00 0.00 C ATOM 26 C ARG A 260 -7.556 -21.555 1.745 1.00 0.00 C ATOM 27 O ARG A 260 -7.923 -20.669 0.965 1.00 0.00 O ATOM 28 CB ARG A 260 -8.213 -23.608 3.147 1.00 0.00 C ATOM 29 CG ARG A 260 -7.756 -23.678 4.619 1.00 0.00 C ATOM 30 CD ARG A 260 -6.257 -23.375 4.736 1.00 0.00 C ATOM 31 NE ARG A 260 -5.862 -23.302 6.177 1.00 0.00 N ATOM 32 CZ ARG A 260 -4.608 -23.437 6.578 1.00 0.00 C ATOM 33 NH1 ARG A 260 -4.339 -23.332 7.852 1.00 0.00 N ATOM 34 NH2 ARG A 260 -3.631 -23.687 5.735 1.00 0.00 N ATOM 0 H ARG A 260 -10.629 -21.604 2.674 1.00 0.00 H new ATOM 0 HA ARG A 260 -8.530 -21.545 3.652 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -9.081 -24.251 3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -7.423 -23.986 2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -8.324 -22.964 5.216 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -7.965 -24.669 5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -5.680 -24.150 4.231 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -6.028 -22.432 4.239 1.00 0.00 H new ATOM 0 HE ARG A 260 -6.587 -23.142 6.877 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -5.089 -23.149 8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -3.379 -23.433 8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -3.829 -23.783 4.739 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -2.675 -23.785 6.077 1.00 0.00 H new ATOM 48 N LEU A 261 -6.307 -21.998 1.750 1.00 0.00 N ATOM 49 CA LEU A 261 -5.290 -21.436 0.804 1.00 0.00 C ATOM 50 C LEU A 261 -5.388 -22.163 -0.530 1.00 0.00 C ATOM 51 O LEU A 261 -5.949 -23.263 -0.604 1.00 0.00 O ATOM 52 CB LEU A 261 -3.865 -21.562 1.387 1.00 0.00 C ATOM 53 CG LEU A 261 -3.538 -23.027 1.769 1.00 0.00 C ATOM 54 CD1 LEU A 261 -3.055 -23.806 0.538 1.00 0.00 C ATOM 55 CD2 LEU A 261 -2.435 -23.046 2.838 1.00 0.00 C ATOM 0 H LEU A 261 -5.956 -22.726 2.373 1.00 0.00 H new ATOM 0 HA LEU A 261 -5.494 -20.376 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -3.139 -21.204 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -3.773 -20.926 2.267 1.00 0.00 H new ATOM 0 HG LEU A 261 -4.442 -23.496 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -2.829 -24.834 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -3.835 -23.804 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -2.157 -23.335 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -2.206 -24.077 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -1.539 -22.566 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -2.776 -22.509 3.723 1.00 0.00 H new ATOM 67 N ARG A 262 -4.860 -21.572 -1.583 1.00 0.00 N ATOM 68 CA ARG A 262 -4.913 -22.221 -2.932 1.00 0.00 C ATOM 69 C ARG A 262 -3.482 -22.541 -3.378 1.00 0.00 C ATOM 70 O ARG A 262 -2.545 -22.414 -2.582 1.00 0.00 O ATOM 71 CB ARG A 262 -5.618 -21.288 -3.941 1.00 0.00 C ATOM 72 CG ARG A 262 -6.302 -22.114 -5.065 1.00 0.00 C ATOM 73 CD ARG A 262 -7.629 -21.469 -5.508 1.00 0.00 C ATOM 74 NE ARG A 262 -8.785 -22.131 -4.810 1.00 0.00 N ATOM 75 CZ ARG A 262 -9.995 -21.588 -4.786 1.00 0.00 C ATOM 76 NH1 ARG A 262 -10.960 -22.216 -4.172 1.00 0.00 N ATOM 77 NH2 ARG A 262 -10.251 -20.434 -5.364 1.00 0.00 N ATOM 0 H ARG A 262 -4.394 -20.665 -1.562 1.00 0.00 H new ATOM 0 HA ARG A 262 -5.486 -23.147 -2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -6.362 -20.681 -3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -4.893 -20.601 -4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -5.631 -22.193 -5.920 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -6.489 -23.128 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -7.618 -20.403 -5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -7.745 -21.562 -6.588 1.00 0.00 H new ATOM 0 HE ARG A 262 -8.634 -23.024 -4.341 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -10.778 -23.112 -3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -11.896 -21.811 -4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -9.508 -19.930 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -11.192 -20.043 -5.328 1.00 0.00 H new ATOM 91 N LYS A 263 -3.296 -22.967 -4.613 1.00 0.00 N ATOM 92 CA LYS A 263 -1.932 -23.317 -5.113 1.00 0.00 C ATOM 93 C LYS A 263 -0.982 -22.130 -4.913 1.00 0.00 C ATOM 94 O LYS A 263 -1.377 -21.096 -4.366 1.00 0.00 O ATOM 95 CB LYS A 263 -2.015 -23.721 -6.597 1.00 0.00 C ATOM 96 CG LYS A 263 -2.536 -22.550 -7.449 1.00 0.00 C ATOM 97 CD LYS A 263 -3.059 -23.059 -8.811 1.00 0.00 C ATOM 98 CE LYS A 263 -4.563 -23.345 -8.726 1.00 0.00 C ATOM 99 NZ LYS A 263 -5.026 -23.951 -10.006 1.00 0.00 N ATOM 0 H LYS A 263 -4.043 -23.086 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 263 -1.539 -24.162 -4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -1.031 -24.026 -6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -2.675 -24.581 -6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -3.335 -22.033 -6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -1.738 -21.825 -7.608 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -2.866 -22.315 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -2.525 -23.964 -9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -4.769 -24.020 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 263 -5.109 -22.422 -8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 -6.046 -24.145 -9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -4.842 -23.291 -10.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -4.513 -24.840 -10.175 1.00 0.00 H new ATOM 113 N GLY A 264 0.254 -22.270 -5.336 1.00 0.00 N ATOM 114 CA GLY A 264 1.257 -21.171 -5.171 1.00 0.00 C ATOM 115 C GLY A 264 2.074 -21.405 -3.900 1.00 0.00 C ATOM 116 O GLY A 264 2.535 -20.447 -3.269 1.00 0.00 O ATOM 0 H GLY A 264 0.612 -23.108 -5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 264 1.917 -21.135 -6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 264 0.750 -20.208 -5.117 1.00 0.00 H new ATOM 120 N ARG A 265 2.257 -22.652 -3.513 1.00 0.00 N ATOM 121 CA ARG A 265 3.040 -22.969 -2.282 1.00 0.00 C ATOM 122 C ARG A 265 4.489 -22.545 -2.475 1.00 0.00 C ATOM 123 O ARG A 265 4.870 -22.080 -3.552 1.00 0.00 O ATOM 124 CB ARG A 265 2.989 -24.468 -2.001 1.00 0.00 C ATOM 125 CG ARG A 265 1.571 -24.857 -1.602 1.00 0.00 C ATOM 126 CD ARG A 265 1.533 -26.346 -1.277 1.00 0.00 C ATOM 127 NE ARG A 265 0.171 -26.717 -0.783 1.00 0.00 N ATOM 128 CZ ARG A 265 -0.221 -27.979 -0.677 1.00 0.00 C ATOM 129 NH1 ARG A 265 -1.423 -28.232 -0.240 1.00 0.00 N ATOM 130 NH2 ARG A 265 0.567 -28.981 -1.003 1.00 0.00 N ATOM 0 H ARG A 265 1.891 -23.466 -4.007 1.00 0.00 H new ATOM 0 HA ARG A 265 2.607 -22.429 -1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 265 3.296 -25.026 -2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 265 3.687 -24.724 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 265 1.251 -24.275 -0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 265 0.877 -24.631 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 265 1.780 -26.929 -2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 265 2.282 -26.583 -0.521 1.00 0.00 H new ATOM 0 HE ARG A 265 -0.477 -25.975 -0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 265 -2.045 -27.465 0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 265 -1.741 -29.197 -0.152 1.00 0.00 H new ATOM 0 HH21 ARG A 265 1.509 -28.797 -1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 265 0.236 -29.941 -0.910 1.00 0.00 H new ATOM 144 N MET A 266 5.295 -22.698 -1.451 1.00 0.00 N ATOM 145 CA MET A 266 6.737 -22.315 -1.540 1.00 0.00 C ATOM 146 C MET A 266 7.414 -23.108 -2.658 1.00 0.00 C ATOM 147 O MET A 266 7.599 -24.325 -2.545 1.00 0.00 O ATOM 148 CB MET A 266 7.442 -22.605 -0.211 1.00 0.00 C ATOM 149 CG MET A 266 6.969 -21.607 0.850 1.00 0.00 C ATOM 150 SD MET A 266 7.674 -22.055 2.457 1.00 0.00 S ATOM 151 CE MET A 266 9.401 -21.683 2.064 1.00 0.00 C ATOM 0 H MET A 266 5.010 -23.077 -0.548 1.00 0.00 H new ATOM 0 HA MET A 266 6.805 -21.249 -1.756 1.00 0.00 H new ATOM 0 HB2 MET A 266 7.227 -23.624 0.112 1.00 0.00 H new ATOM 0 HB3 MET A 266 8.522 -22.532 -0.337 1.00 0.00 H new ATOM 0 HG2 MET A 266 7.274 -20.597 0.576 1.00 0.00 H new ATOM 0 HG3 MET A 266 5.880 -21.608 0.906 1.00 0.00 H new ATOM 0 HE1 MET A 266 9.959 -21.527 2.987 1.00 0.00 H new ATOM 0 HE2 MET A 266 9.837 -22.517 1.513 1.00 0.00 H new ATOM 0 HE3 MET A 266 9.449 -20.781 1.454 1.00 0.00 H new ATOM 161 N MET A 267 7.801 -22.436 -3.721 1.00 0.00 N ATOM 162 CA MET A 267 8.495 -23.117 -4.864 1.00 0.00 C ATOM 163 C MET A 267 9.975 -22.702 -4.807 1.00 0.00 C ATOM 164 O MET A 267 10.481 -22.431 -3.715 1.00 0.00 O ATOM 165 CB MET A 267 7.847 -22.702 -6.203 1.00 0.00 C ATOM 166 CG MET A 267 6.358 -23.057 -6.208 1.00 0.00 C ATOM 167 SD MET A 267 5.740 -23.032 -7.909 1.00 0.00 S ATOM 168 CE MET A 267 6.222 -24.719 -8.350 1.00 0.00 C ATOM 0 H MET A 267 7.663 -21.433 -3.845 1.00 0.00 H new ATOM 0 HA MET A 267 8.407 -24.201 -4.789 1.00 0.00 H new ATOM 0 HB2 MET A 267 7.972 -21.630 -6.358 1.00 0.00 H new ATOM 0 HB3 MET A 267 8.350 -23.205 -7.029 1.00 0.00 H new ATOM 0 HG2 MET A 267 6.206 -24.043 -5.769 1.00 0.00 H new ATOM 0 HG3 MET A 267 5.801 -22.347 -5.597 1.00 0.00 H new ATOM 0 HE1 MET A 267 6.507 -24.753 -9.402 1.00 0.00 H new ATOM 0 HE2 MET A 267 7.067 -25.028 -7.735 1.00 0.00 H new ATOM 0 HE3 MET A 267 5.383 -25.394 -8.179 1.00 0.00 H new ATOM 178 N ASP A 268 10.677 -22.635 -5.930 1.00 0.00 N ATOM 179 CA ASP A 268 12.118 -22.215 -5.906 1.00 0.00 C ATOM 180 C ASP A 268 12.204 -20.796 -5.335 1.00 0.00 C ATOM 181 O ASP A 268 12.089 -19.810 -6.074 1.00 0.00 O ATOM 182 CB ASP A 268 12.719 -22.234 -7.319 1.00 0.00 C ATOM 183 CG ASP A 268 11.825 -21.467 -8.288 1.00 0.00 C ATOM 184 OD1 ASP A 268 12.290 -20.482 -8.837 1.00 0.00 O ATOM 185 OD2 ASP A 268 10.690 -21.877 -8.468 1.00 0.00 O ATOM 0 H ASP A 268 10.309 -22.854 -6.856 1.00 0.00 H new ATOM 0 HA ASP A 268 12.682 -22.912 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 268 13.714 -21.790 -7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 268 12.834 -23.263 -7.658 1.00 0.00 H new ATOM 190 N VAL A 269 12.395 -20.676 -4.038 1.00 0.00 N ATOM 191 CA VAL A 269 12.487 -19.328 -3.393 1.00 0.00 C ATOM 192 C VAL A 269 13.919 -19.105 -2.910 1.00 0.00 C ATOM 193 O VAL A 269 14.480 -18.018 -3.089 1.00 0.00 O ATOM 194 CB VAL A 269 11.496 -19.213 -2.220 1.00 0.00 C ATOM 195 CG1 VAL A 269 10.062 -19.322 -2.747 1.00 0.00 C ATOM 196 CG2 VAL A 269 11.738 -20.331 -1.197 1.00 0.00 C ATOM 0 H VAL A 269 12.491 -21.463 -3.396 1.00 0.00 H new ATOM 0 HA VAL A 269 12.225 -18.562 -4.123 1.00 0.00 H new ATOM 0 HB VAL A 269 11.645 -18.248 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.362 -19.240 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 269 9.874 -18.519 -3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 269 9.928 -20.284 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 269 11.028 -20.233 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.604 -21.300 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 269 12.754 -20.256 -0.809 1.00 0.00 H new ATOM 206 N LYS A 270 14.521 -20.115 -2.323 1.00 0.00 N ATOM 207 CA LYS A 270 15.937 -19.995 -1.833 1.00 0.00 C ATOM 208 C LYS A 270 16.924 -20.337 -2.963 1.00 0.00 C ATOM 209 O LYS A 270 18.133 -20.140 -2.810 1.00 0.00 O ATOM 210 CB LYS A 270 16.175 -20.948 -0.659 1.00 0.00 C ATOM 211 CG LYS A 270 15.455 -20.428 0.586 1.00 0.00 C ATOM 212 CD LYS A 270 15.763 -21.348 1.769 1.00 0.00 C ATOM 213 CE LYS A 270 15.043 -20.836 3.017 1.00 0.00 C ATOM 214 NZ LYS A 270 15.337 -21.740 4.164 1.00 0.00 N ATOM 0 H LYS A 270 14.090 -21.025 -2.161 1.00 0.00 H new ATOM 0 HA LYS A 270 16.098 -18.967 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 270 15.813 -21.945 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 270 17.243 -21.037 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 270 15.777 -19.411 0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 270 14.380 -20.391 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 270 15.444 -22.366 1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 270 16.838 -21.383 1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 270 15.368 -19.821 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 270 13.968 -20.794 2.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 14.848 -21.393 5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 15.006 -22.701 3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 16.362 -21.758 4.338 1.00 0.00 H new ATOM 228 N LYS A 271 16.437 -20.851 -4.077 1.00 0.00 N ATOM 229 CA LYS A 271 17.330 -21.222 -5.217 1.00 0.00 C ATOM 230 C LYS A 271 17.675 -19.969 -6.019 1.00 0.00 C ATOM 231 O LYS A 271 17.061 -18.915 -5.827 1.00 0.00 O ATOM 232 CB LYS A 271 16.610 -22.243 -6.108 1.00 0.00 C ATOM 233 CG LYS A 271 17.602 -22.879 -7.080 1.00 0.00 C ATOM 234 CD LYS A 271 16.952 -24.073 -7.776 1.00 0.00 C ATOM 235 CE LYS A 271 17.873 -24.561 -8.895 1.00 0.00 C ATOM 236 NZ LYS A 271 17.121 -25.479 -9.795 1.00 0.00 N ATOM 0 H LYS A 271 15.446 -21.029 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 271 18.252 -21.664 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 271 16.147 -23.014 -5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 271 15.809 -21.754 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 271 17.922 -22.145 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 271 18.495 -23.201 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 271 16.773 -24.875 -7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 271 15.982 -23.788 -8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 271 18.255 -23.712 -9.462 1.00 0.00 H new ATOM 0 HE3 LYS A 271 18.735 -25.076 -8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 17.748 -25.810 -10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 16.777 -26.295 -9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 16.312 -24.974 -10.209 1.00 0.00 H new ATOM 250 N CYS A 272 18.639 -20.066 -6.910 1.00 0.00 N ATOM 251 CA CYS A 272 19.038 -18.887 -7.743 1.00 0.00 C ATOM 252 C CYS A 272 17.876 -18.479 -8.650 1.00 0.00 C ATOM 253 O CYS A 272 17.797 -17.321 -9.076 1.00 0.00 O ATOM 254 CB CYS A 272 20.252 -19.241 -8.608 1.00 0.00 C ATOM 255 SG CYS A 272 21.771 -18.949 -7.669 1.00 0.00 S ATOM 0 H CYS A 272 19.168 -20.918 -7.095 1.00 0.00 H new ATOM 0 HA CYS A 272 19.295 -18.060 -7.081 1.00 0.00 H new ATOM 0 HB2 CYS A 272 20.199 -20.285 -8.918 1.00 0.00 H new ATOM 0 HB3 CYS A 272 20.252 -18.639 -9.516 1.00 0.00 H new ATOM 0 HG CYS A 272 22.800 -19.252 -8.403 1.00 0.00 H new ATOM 261 N GLY A 273 16.987 -19.399 -8.964 1.00 0.00 N ATOM 262 CA GLY A 273 15.833 -19.074 -9.857 1.00 0.00 C ATOM 263 C GLY A 273 16.306 -19.149 -11.300 1.00 0.00 C ATOM 264 O GLY A 273 16.489 -18.126 -11.968 1.00 0.00 O ATOM 0 H GLY A 273 17.016 -20.364 -8.636 1.00 0.00 H new ATOM 0 HA2 GLY A 273 15.015 -19.774 -9.689 1.00 0.00 H new ATOM 0 HA3 GLY A 273 15.450 -18.078 -9.635 1.00 0.00 H new ATOM 268 N ILE A 274 16.514 -20.347 -11.776 1.00 0.00 N ATOM 269 CA ILE A 274 16.991 -20.570 -13.178 1.00 0.00 C ATOM 270 C ILE A 274 15.990 -19.931 -14.138 1.00 0.00 C ATOM 271 O ILE A 274 14.779 -19.966 -13.893 1.00 0.00 O ATOM 272 CB ILE A 274 17.112 -22.080 -13.478 1.00 0.00 C ATOM 273 CG1 ILE A 274 17.937 -22.807 -12.372 1.00 0.00 C ATOM 274 CG2 ILE A 274 17.757 -22.291 -14.860 1.00 0.00 C ATOM 275 CD1 ILE A 274 19.417 -22.372 -12.353 1.00 0.00 C ATOM 0 H ILE A 274 16.370 -21.203 -11.241 1.00 0.00 H new ATOM 0 HA ILE A 274 17.975 -20.119 -13.302 1.00 0.00 H new ATOM 0 HB ILE A 274 16.111 -22.511 -13.485 1.00 0.00 H new ATOM 0 HG12 ILE A 274 17.490 -22.605 -11.399 1.00 0.00 H new ATOM 0 HG13 ILE A 274 17.881 -23.884 -12.531 1.00 0.00 H new ATOM 0 HG21 ILE A 274 17.839 -23.359 -15.064 1.00 0.00 H new ATOM 0 HG22 ILE A 274 17.139 -21.822 -15.625 1.00 0.00 H new ATOM 0 HG23 ILE A 274 18.750 -21.842 -14.870 1.00 0.00 H new ATOM 0 HD11 ILE A 274 19.944 -22.909 -11.564 1.00 0.00 H new ATOM 0 HD12 ILE A 274 19.875 -22.599 -13.316 1.00 0.00 H new ATOM 0 HD13 ILE A 274 19.479 -21.300 -12.166 1.00 0.00 H new ATOM 287 N GLN A 275 16.473 -19.352 -15.213 1.00 0.00 N ATOM 288 CA GLN A 275 15.562 -18.700 -16.205 1.00 0.00 C ATOM 289 C GLN A 275 15.946 -19.144 -17.611 1.00 0.00 C ATOM 290 O GLN A 275 16.988 -19.780 -17.806 1.00 0.00 O ATOM 291 CB GLN A 275 15.667 -17.177 -16.097 1.00 0.00 C ATOM 292 CG GLN A 275 15.121 -16.724 -14.742 1.00 0.00 C ATOM 293 CD GLN A 275 15.201 -15.206 -14.630 1.00 0.00 C ATOM 294 OE1 GLN A 275 14.690 -14.490 -15.492 1.00 0.00 O ATOM 295 NE2 GLN A 275 15.817 -14.668 -13.614 1.00 0.00 N ATOM 0 H GLN A 275 17.465 -19.304 -15.446 1.00 0.00 H new ATOM 0 HA GLN A 275 14.534 -18.996 -15.996 1.00 0.00 H new ATOM 0 HB2 GLN A 275 16.706 -16.865 -16.206 1.00 0.00 H new ATOM 0 HB3 GLN A 275 15.106 -16.705 -16.904 1.00 0.00 H new ATOM 0 HG2 GLN A 275 14.088 -17.051 -14.629 1.00 0.00 H new ATOM 0 HG3 GLN A 275 15.692 -17.187 -13.937 1.00 0.00 H new ATOM 0 HE21 GLN A 275 16.240 -15.262 -12.901 1.00 0.00 H new ATOM 0 HE22 GLN A 275 15.876 -13.653 -13.533 1.00 0.00 H new ATOM 304 N ASP A 276 15.127 -18.822 -18.586 1.00 0.00 N ATOM 305 CA ASP A 276 15.422 -19.215 -19.997 1.00 0.00 C ATOM 306 C ASP A 276 16.277 -18.122 -20.650 1.00 0.00 C ATOM 307 O ASP A 276 15.998 -17.667 -21.770 1.00 0.00 O ATOM 308 CB ASP A 276 14.107 -19.415 -20.765 1.00 0.00 C ATOM 309 CG ASP A 276 13.301 -18.120 -20.767 1.00 0.00 C ATOM 310 OD1 ASP A 276 12.660 -17.843 -19.766 1.00 0.00 O ATOM 311 OD2 ASP A 276 13.338 -17.424 -21.767 1.00 0.00 O ATOM 0 H ASP A 276 14.260 -18.299 -18.460 1.00 0.00 H new ATOM 0 HA ASP A 276 15.974 -20.155 -20.018 1.00 0.00 H new ATOM 0 HB2 ASP A 276 14.318 -19.723 -21.789 1.00 0.00 H new ATOM 0 HB3 ASP A 276 13.526 -20.214 -20.305 1.00 0.00 H new ATOM 316 N THR A 277 17.320 -17.696 -19.968 1.00 0.00 N ATOM 317 CA THR A 277 18.219 -16.634 -20.517 1.00 0.00 C ATOM 318 C THR A 277 19.207 -17.265 -21.494 1.00 0.00 C ATOM 319 O THR A 277 19.307 -16.838 -22.649 1.00 0.00 O ATOM 320 CB THR A 277 18.983 -15.949 -19.381 1.00 0.00 C ATOM 321 OG1 THR A 277 19.590 -16.937 -18.559 1.00 0.00 O ATOM 322 CG2 THR A 277 18.017 -15.110 -18.544 1.00 0.00 C ATOM 0 H THR A 277 17.585 -18.045 -19.047 1.00 0.00 H new ATOM 0 HA THR A 277 17.617 -15.888 -21.035 1.00 0.00 H new ATOM 0 HB THR A 277 19.752 -15.300 -19.800 1.00 0.00 H new ATOM 0 HG1 THR A 277 20.081 -16.501 -17.832 1.00 0.00 H new ATOM 0 HG21 THR A 277 18.564 -14.624 -17.736 1.00 0.00 H new ATOM 0 HG22 THR A 277 17.552 -14.353 -19.175 1.00 0.00 H new ATOM 0 HG23 THR A 277 17.246 -15.755 -18.123 1.00 0.00 H new ATOM 330 N ASN A 278 19.936 -18.267 -21.052 1.00 0.00 N ATOM 331 CA ASN A 278 20.931 -18.946 -21.940 1.00 0.00 C ATOM 332 C ASN A 278 20.642 -20.445 -21.961 1.00 0.00 C ATOM 333 O ASN A 278 20.679 -21.075 -23.021 1.00 0.00 O ATOM 334 CB ASN A 278 22.354 -18.697 -21.429 1.00 0.00 C ATOM 335 CG ASN A 278 22.493 -19.198 -19.997 1.00 0.00 C ATOM 336 OD1 ASN A 278 21.682 -18.855 -19.136 1.00 0.00 O ATOM 337 ND2 ASN A 278 23.478 -19.995 -19.687 1.00 0.00 N ATOM 0 H ASN A 278 19.881 -18.644 -20.106 1.00 0.00 H new ATOM 0 HA ASN A 278 20.849 -18.542 -22.949 1.00 0.00 H new ATOM 0 HB2 ASN A 278 23.073 -19.205 -22.071 1.00 0.00 H new ATOM 0 HB3 ASN A 278 22.583 -17.632 -21.474 1.00 0.00 H new ATOM 0 HD21 ASN A 278 23.577 -20.335 -18.730 1.00 0.00 H new ATOM 0 HD22 ASN A 278 24.149 -20.278 -20.401 1.00 0.00 H new ATOM 344 N SER A 279 20.348 -21.016 -20.810 1.00 0.00 N ATOM 345 CA SER A 279 20.041 -22.484 -20.713 1.00 0.00 C ATOM 346 C SER A 279 21.273 -23.297 -21.098 1.00 0.00 C ATOM 347 O SER A 279 21.867 -23.086 -22.160 1.00 0.00 O ATOM 348 CB SER A 279 18.856 -22.857 -21.619 1.00 0.00 C ATOM 349 OG SER A 279 17.675 -22.933 -20.831 1.00 0.00 O ATOM 0 H SER A 279 20.308 -20.518 -19.921 1.00 0.00 H new ATOM 0 HA SER A 279 19.767 -22.713 -19.683 1.00 0.00 H new ATOM 0 HB2 SER A 279 18.736 -22.113 -22.406 1.00 0.00 H new ATOM 0 HB3 SER A 279 19.043 -23.812 -22.109 1.00 0.00 H new ATOM 0 HG SER A 279 16.915 -23.169 -21.403 1.00 0.00 H new ATOM 355 N LYS A 280 21.660 -24.228 -20.254 1.00 0.00 N ATOM 356 CA LYS A 280 22.853 -25.084 -20.547 1.00 0.00 C ATOM 357 C LYS A 280 22.764 -26.376 -19.738 1.00 0.00 C ATOM 358 O LYS A 280 22.755 -26.349 -18.504 1.00 0.00 O ATOM 359 CB LYS A 280 24.156 -24.331 -20.219 1.00 0.00 C ATOM 360 CG LYS A 280 24.157 -23.849 -18.762 1.00 0.00 C ATOM 361 CD LYS A 280 25.336 -22.897 -18.546 1.00 0.00 C ATOM 362 CE LYS A 280 25.220 -22.228 -17.172 1.00 0.00 C ATOM 363 NZ LYS A 280 25.610 -23.200 -16.113 1.00 0.00 N ATOM 0 H LYS A 280 21.195 -24.431 -19.369 1.00 0.00 H new ATOM 0 HA LYS A 280 22.863 -25.327 -21.610 1.00 0.00 H new ATOM 0 HB2 LYS A 280 25.012 -24.984 -20.391 1.00 0.00 H new ATOM 0 HB3 LYS A 280 24.266 -23.478 -20.889 1.00 0.00 H new ATOM 0 HG2 LYS A 280 23.219 -23.343 -18.534 1.00 0.00 H new ATOM 0 HG3 LYS A 280 24.233 -24.700 -18.085 1.00 0.00 H new ATOM 0 HD2 LYS A 280 26.275 -23.446 -18.615 1.00 0.00 H new ATOM 0 HD3 LYS A 280 25.351 -22.139 -19.329 1.00 0.00 H new ATOM 0 HE2 LYS A 280 25.863 -21.349 -17.128 1.00 0.00 H new ATOM 0 HE3 LYS A 280 24.199 -21.885 -17.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 25.532 -22.747 -15.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 24.979 -24.026 -16.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 26.592 -23.507 -16.268 1.00 0.00 H new ATOM 377 N LYS A 281 22.691 -27.502 -20.414 1.00 0.00 N ATOM 378 CA LYS A 281 22.599 -28.820 -19.709 1.00 0.00 C ATOM 379 C LYS A 281 23.440 -29.850 -20.459 1.00 0.00 C ATOM 380 O LYS A 281 23.647 -29.727 -21.670 1.00 0.00 O ATOM 381 CB LYS A 281 21.136 -29.294 -19.626 1.00 0.00 C ATOM 382 CG LYS A 281 20.490 -29.359 -21.031 1.00 0.00 C ATOM 383 CD LYS A 281 19.744 -28.053 -21.346 1.00 0.00 C ATOM 384 CE LYS A 281 18.426 -28.010 -20.568 1.00 0.00 C ATOM 385 NZ LYS A 281 17.693 -26.756 -20.897 1.00 0.00 N ATOM 0 H LYS A 281 22.691 -27.562 -21.432 1.00 0.00 H new ATOM 0 HA LYS A 281 22.977 -28.706 -18.693 1.00 0.00 H new ATOM 0 HB2 LYS A 281 21.095 -30.278 -19.158 1.00 0.00 H new ATOM 0 HB3 LYS A 281 20.566 -28.615 -18.992 1.00 0.00 H new ATOM 0 HG2 LYS A 281 21.259 -29.535 -21.783 1.00 0.00 H new ATOM 0 HG3 LYS A 281 19.798 -30.200 -21.080 1.00 0.00 H new ATOM 0 HD2 LYS A 281 20.363 -27.196 -21.079 1.00 0.00 H new ATOM 0 HD3 LYS A 281 19.548 -27.984 -22.416 1.00 0.00 H new ATOM 0 HE2 LYS A 281 17.815 -28.877 -20.819 1.00 0.00 H new ATOM 0 HE3 LYS A 281 18.622 -28.058 -19.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 16.798 -26.728 -20.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 18.275 -25.935 -20.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 17.493 -26.728 -21.917 1.00 0.00 H new ATOM 399 N GLN A 282 23.923 -30.858 -19.764 1.00 0.00 N ATOM 400 CA GLN A 282 24.754 -31.912 -20.422 1.00 0.00 C ATOM 401 C GLN A 282 24.275 -33.286 -19.968 1.00 0.00 C ATOM 402 O GLN A 282 24.358 -33.619 -18.781 1.00 0.00 O ATOM 403 CB GLN A 282 26.230 -31.731 -20.056 1.00 0.00 C ATOM 404 CG GLN A 282 26.750 -30.418 -20.646 1.00 0.00 C ATOM 405 CD GLN A 282 26.857 -30.533 -22.163 1.00 0.00 C ATOM 406 OE1 GLN A 282 25.877 -30.314 -22.874 1.00 0.00 O ATOM 407 NE2 GLN A 282 27.997 -30.867 -22.703 1.00 0.00 N ATOM 0 H GLN A 282 23.774 -30.992 -18.764 1.00 0.00 H new ATOM 0 HA GLN A 282 24.650 -31.826 -21.504 1.00 0.00 H new ATOM 0 HB2 GLN A 282 26.348 -31.726 -18.972 1.00 0.00 H new ATOM 0 HB3 GLN A 282 26.814 -32.569 -20.437 1.00 0.00 H new ATOM 0 HG2 GLN A 282 26.079 -29.600 -20.382 1.00 0.00 H new ATOM 0 HG3 GLN A 282 27.725 -30.180 -20.222 1.00 0.00 H new ATOM 0 HE21 GLN A 282 28.808 -31.048 -22.111 1.00 0.00 H new ATOM 0 HE22 GLN A 282 28.077 -30.947 -23.717 1.00 0.00 H new ATOM 416 N SER A 283 23.780 -34.085 -20.887 1.00 0.00 N ATOM 417 CA SER A 283 23.287 -35.453 -20.535 1.00 0.00 C ATOM 418 C SER A 283 23.875 -36.465 -21.514 1.00 0.00 C ATOM 419 O SER A 283 24.192 -36.119 -22.657 1.00 0.00 O ATOM 420 CB SER A 283 21.759 -35.496 -20.598 1.00 0.00 C ATOM 421 OG SER A 283 21.222 -34.752 -19.512 1.00 0.00 O ATOM 0 H SER A 283 23.697 -33.843 -21.874 1.00 0.00 H new ATOM 0 HA SER A 283 23.601 -35.699 -19.521 1.00 0.00 H new ATOM 0 HB2 SER A 283 21.411 -35.082 -21.544 1.00 0.00 H new ATOM 0 HB3 SER A 283 21.411 -36.528 -20.554 1.00 0.00 H new ATOM 0 HG SER A 283 20.243 -34.777 -19.551 1.00 0.00 H new ATOM 427 N ASP A 284 24.025 -37.702 -21.089 1.00 0.00 N ATOM 428 CA ASP A 284 24.597 -38.764 -21.979 1.00 0.00 C ATOM 429 C ASP A 284 25.974 -38.325 -22.472 1.00 0.00 C ATOM 430 O ASP A 284 26.441 -37.231 -22.134 1.00 0.00 O ATOM 431 CB ASP A 284 23.670 -39.011 -23.175 1.00 0.00 C ATOM 432 CG ASP A 284 22.282 -39.414 -22.684 1.00 0.00 C ATOM 433 OD1 ASP A 284 22.191 -40.392 -21.961 1.00 0.00 O ATOM 434 OD2 ASP A 284 21.331 -38.737 -23.039 1.00 0.00 O ATOM 0 H ASP A 284 23.772 -38.022 -20.154 1.00 0.00 H new ATOM 0 HA ASP A 284 24.691 -39.691 -21.414 1.00 0.00 H new ATOM 0 HB2 ASP A 284 23.602 -38.110 -23.785 1.00 0.00 H new ATOM 0 HB3 ASP A 284 24.082 -39.795 -23.810 1.00 0.00 H new ATOM 439 N THR A 285 26.628 -39.152 -23.259 1.00 0.00 N ATOM 440 CA THR A 285 27.985 -38.801 -23.786 1.00 0.00 C ATOM 441 C THR A 285 27.848 -37.677 -24.809 1.00 0.00 C ATOM 442 O THR A 285 26.742 -37.395 -25.286 1.00 0.00 O ATOM 443 CB THR A 285 28.628 -40.026 -24.443 1.00 0.00 C ATOM 444 OG1 THR A 285 27.692 -40.641 -25.317 1.00 0.00 O ATOM 445 CG2 THR A 285 29.052 -41.023 -23.362 1.00 0.00 C ATOM 0 H THR A 285 26.275 -40.061 -23.559 1.00 0.00 H new ATOM 0 HA THR A 285 28.620 -38.473 -22.963 1.00 0.00 H new ATOM 0 HB THR A 285 29.504 -39.715 -25.012 1.00 0.00 H new ATOM 0 HG1 THR A 285 28.104 -41.424 -25.739 1.00 0.00 H new ATOM 0 HG21 THR A 285 29.509 -41.895 -23.830 1.00 0.00 H new ATOM 0 HG22 THR A 285 29.772 -40.551 -22.693 1.00 0.00 H new ATOM 0 HG23 THR A 285 28.177 -41.335 -22.791 1.00 0.00 H new