USER MOD reduce.3.24.130724 H: found=0, std=0, add=229, rem=0, adj=8 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 Single : A 263 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 266 MET CE :methyl 155:sc= -0.104 (180deg=-0.937) USER MOD Single : A 267 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 270 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0979) 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) USER MOD Single : A 277 THR OG1 : rot 180:sc= 0 USER MOD Single : A 278 ASN : amide:sc= -1.35 K(o=-1.3,f=-8.8!) USER MOD Single : A 279 SER OG : rot 180:sc= 0 USER MOD Single : A 280 LYS NZ :NH3+ -161:sc= -0.0169 (180deg=-0.283) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 282 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.8!) USER MOD Single : A 283 SER OG : rot 180:sc= 0 USER MOD Single : A 285 THR OG1 : rot -76:sc= 0.469 USER MOD ----------------------------------------------------------------- ATOM 10 N PRO A 259 -11.524 -18.821 2.602 1.00 0.00 N ATOM 11 CA PRO A 259 -10.988 -19.289 3.916 1.00 0.00 C ATOM 12 C PRO A 259 -9.696 -20.099 3.761 1.00 0.00 C ATOM 13 O PRO A 259 -8.633 -19.673 4.224 1.00 0.00 O ATOM 14 CB PRO A 259 -12.134 -20.143 4.478 1.00 0.00 C ATOM 15 CG PRO A 259 -13.296 -20.141 3.480 1.00 0.00 C ATOM 16 CD PRO A 259 -12.905 -19.304 2.260 1.00 0.00 C ATOM 0 HA PRO A 259 -10.708 -18.465 4.572 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -11.792 -21.163 4.655 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -12.463 -19.746 5.439 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -13.533 -21.161 3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -14.192 -19.731 3.946 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -12.909 -19.898 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -13.594 -18.474 2.103 1.00 0.00 H new ATOM 24 N ARG A 260 -9.770 -21.253 3.129 1.00 0.00 N ATOM 25 CA ARG A 260 -8.558 -22.106 2.943 1.00 0.00 C ATOM 26 C ARG A 260 -7.545 -21.378 2.046 1.00 0.00 C ATOM 27 O ARG A 260 -7.698 -20.183 1.773 1.00 0.00 O ATOM 28 CB ARG A 260 -8.967 -23.490 2.368 1.00 0.00 C ATOM 29 CG ARG A 260 -9.340 -23.431 0.862 1.00 0.00 C ATOM 30 CD ARG A 260 -10.833 -23.140 0.677 1.00 0.00 C ATOM 31 NE ARG A 260 -11.188 -23.186 -0.780 1.00 0.00 N ATOM 32 CZ ARG A 260 -12.445 -23.285 -1.194 1.00 0.00 C ATOM 33 NH1 ARG A 260 -12.689 -23.314 -2.475 1.00 0.00 N ATOM 34 NH2 ARG A 260 -13.451 -23.355 -0.350 1.00 0.00 N ATOM 0 H ARG A 260 -10.628 -21.638 2.733 1.00 0.00 H new ATOM 0 HA ARG A 260 -8.076 -22.284 3.904 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -8.145 -24.193 2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -9.816 -23.876 2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -8.751 -22.658 0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -9.088 -24.378 0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -11.425 -23.871 1.227 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -11.075 -22.160 1.088 1.00 0.00 H new ATOM 0 HE ARG A 260 -10.441 -23.140 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -11.919 -23.261 -3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -13.650 -23.390 -2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -13.276 -23.334 0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -14.406 -23.430 -0.700 1.00 0.00 H new ATOM 48 N LEU A 261 -6.533 -22.080 1.579 1.00 0.00 N ATOM 49 CA LEU A 261 -5.506 -21.454 0.686 1.00 0.00 C ATOM 50 C LEU A 261 -5.565 -22.123 -0.681 1.00 0.00 C ATOM 51 O LEU A 261 -6.147 -23.204 -0.822 1.00 0.00 O ATOM 52 CB LEU A 261 -4.093 -21.594 1.289 1.00 0.00 C ATOM 53 CG LEU A 261 -3.753 -23.077 1.584 1.00 0.00 C ATOM 54 CD1 LEU A 261 -3.238 -23.775 0.309 1.00 0.00 C ATOM 55 CD2 LEU A 261 -2.669 -23.145 2.672 1.00 0.00 C ATOM 0 H LEU A 261 -6.377 -23.067 1.782 1.00 0.00 H new ATOM 0 HA LEU A 261 -5.721 -20.390 0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -3.358 -21.180 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -4.029 -21.014 2.209 1.00 0.00 H new ATOM 0 HG LEU A 261 -4.656 -23.584 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -3.004 -24.816 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -4.006 -23.734 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -2.340 -23.269 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -2.428 -24.187 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -1.774 -22.628 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -3.035 -22.668 3.581 1.00 0.00 H new ATOM 67 N ARG A 262 -4.970 -21.513 -1.683 1.00 0.00 N ATOM 68 CA ARG A 262 -4.973 -22.111 -3.057 1.00 0.00 C ATOM 69 C ARG A 262 -3.537 -22.484 -3.433 1.00 0.00 C ATOM 70 O ARG A 262 -2.630 -22.374 -2.600 1.00 0.00 O ATOM 71 CB ARG A 262 -5.557 -21.102 -4.066 1.00 0.00 C ATOM 72 CG ARG A 262 -6.189 -21.838 -5.281 1.00 0.00 C ATOM 73 CD ARG A 262 -7.533 -21.201 -5.694 1.00 0.00 C ATOM 74 NE ARG A 262 -8.665 -22.121 -5.336 1.00 0.00 N ATOM 75 CZ ARG A 262 -9.927 -21.714 -5.337 1.00 0.00 C ATOM 76 NH1 ARG A 262 -10.867 -22.565 -5.029 1.00 0.00 N ATOM 77 NH2 ARG A 262 -10.260 -20.477 -5.638 1.00 0.00 N ATOM 0 H ARG A 262 -4.480 -20.622 -1.605 1.00 0.00 H new ATOM 0 HA ARG A 262 -5.594 -23.007 -3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -6.311 -20.486 -3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -4.771 -20.430 -4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -5.498 -21.810 -6.124 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -6.345 -22.887 -5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -7.660 -20.241 -5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -7.538 -21.004 -6.766 1.00 0.00 H new ATOM 0 HE ARG A 262 -8.457 -23.087 -5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -10.626 -23.527 -4.792 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -11.843 -22.268 -5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -9.538 -19.799 -5.880 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -11.241 -20.196 -5.629 1.00 0.00 H new ATOM 91 N LYS A 263 -3.315 -22.933 -4.654 1.00 0.00 N ATOM 92 CA LYS A 263 -1.943 -23.328 -5.096 1.00 0.00 C ATOM 93 C LYS A 263 -0.971 -22.156 -4.890 1.00 0.00 C ATOM 94 O LYS A 263 -1.339 -21.123 -4.320 1.00 0.00 O ATOM 95 CB LYS A 263 -1.986 -23.768 -6.574 1.00 0.00 C ATOM 96 CG LYS A 263 -2.423 -22.596 -7.472 1.00 0.00 C ATOM 97 CD LYS A 263 -2.908 -23.111 -8.844 1.00 0.00 C ATOM 98 CE LYS A 263 -4.422 -23.355 -8.817 1.00 0.00 C ATOM 99 NZ LYS A 263 -4.891 -23.720 -10.184 1.00 0.00 N ATOM 0 H LYS A 263 -4.038 -23.041 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 263 -1.588 -24.168 -4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -1.003 -24.124 -6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -2.678 -24.602 -6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -3.222 -22.036 -6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -1.590 -21.907 -7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -2.664 -22.385 -9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -2.388 -24.035 -9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -4.660 -24.153 -8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 263 -4.939 -22.460 -8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 -5.918 -23.886 -10.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -4.677 -22.945 -10.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -4.406 -24.585 -10.498 1.00 0.00 H new ATOM 113 N GLY A 264 0.257 -22.302 -5.338 1.00 0.00 N ATOM 114 CA GLY A 264 1.277 -21.220 -5.169 1.00 0.00 C ATOM 115 C GLY A 264 2.121 -21.502 -3.924 1.00 0.00 C ATOM 116 O GLY A 264 2.624 -20.570 -3.286 1.00 0.00 O ATOM 0 H GLY A 264 0.597 -23.135 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 264 1.916 -21.168 -6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 264 0.784 -20.252 -5.075 1.00 0.00 H new ATOM 120 N ARG A 265 2.280 -22.762 -3.566 1.00 0.00 N ATOM 121 CA ARG A 265 3.084 -23.127 -2.360 1.00 0.00 C ATOM 122 C ARG A 265 4.531 -22.691 -2.566 1.00 0.00 C ATOM 123 O ARG A 265 4.925 -22.319 -3.674 1.00 0.00 O ATOM 124 CB ARG A 265 3.032 -24.639 -2.128 1.00 0.00 C ATOM 125 CG ARG A 265 1.604 -25.055 -1.775 1.00 0.00 C ATOM 126 CD ARG A 265 1.555 -26.568 -1.549 1.00 0.00 C ATOM 127 NE ARG A 265 1.837 -27.297 -2.831 1.00 0.00 N ATOM 128 CZ ARG A 265 2.141 -28.586 -2.855 1.00 0.00 C ATOM 129 NH1 ARG A 265 2.377 -29.161 -4.002 1.00 0.00 N ATOM 130 NH2 ARG A 265 2.213 -29.305 -1.755 1.00 0.00 N ATOM 0 H ARG A 265 1.880 -23.555 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 265 2.668 -22.622 -1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 265 3.364 -25.166 -3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 265 3.712 -24.917 -1.323 1.00 0.00 H new ATOM 0 HG2 ARG A 265 1.272 -24.532 -0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 265 0.923 -24.774 -2.578 1.00 0.00 H new ATOM 0 HD2 ARG A 265 2.286 -26.853 -0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 265 0.574 -26.854 -1.168 1.00 0.00 H new ATOM 0 HE ARG A 265 1.793 -26.783 -3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 265 2.326 -28.619 -4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 265 2.612 -30.153 -4.036 1.00 0.00 H new ATOM 0 HH21 ARG A 265 2.032 -28.871 -0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 265 2.450 -30.296 -1.808 1.00 0.00 H new ATOM 144 N MET A 266 5.321 -22.729 -1.516 1.00 0.00 N ATOM 145 CA MET A 266 6.757 -22.317 -1.609 1.00 0.00 C ATOM 146 C MET A 266 7.460 -23.111 -2.708 1.00 0.00 C ATOM 147 O MET A 266 7.656 -24.324 -2.582 1.00 0.00 O ATOM 148 CB MET A 266 7.460 -22.570 -0.274 1.00 0.00 C ATOM 149 CG MET A 266 6.957 -21.566 0.766 1.00 0.00 C ATOM 150 SD MET A 266 7.687 -21.952 2.377 1.00 0.00 S ATOM 151 CE MET A 266 9.387 -21.481 1.974 1.00 0.00 C ATOM 0 H MET A 266 5.026 -23.032 -0.588 1.00 0.00 H new ATOM 0 HA MET A 266 6.801 -21.254 -1.847 1.00 0.00 H new ATOM 0 HB2 MET A 266 7.266 -23.588 0.064 1.00 0.00 H new ATOM 0 HB3 MET A 266 8.539 -22.474 -0.395 1.00 0.00 H new ATOM 0 HG2 MET A 266 7.223 -20.552 0.467 1.00 0.00 H new ATOM 0 HG3 MET A 266 5.869 -21.605 0.829 1.00 0.00 H new ATOM 0 HE1 MET A 266 9.916 -21.212 2.888 1.00 0.00 H new ATOM 0 HE2 MET A 266 9.893 -22.319 1.495 1.00 0.00 H new ATOM 0 HE3 MET A 266 9.377 -20.628 1.296 1.00 0.00 H new ATOM 161 N MET A 267 7.857 -22.441 -3.766 1.00 0.00 N ATOM 162 CA MET A 267 8.577 -23.120 -4.889 1.00 0.00 C ATOM 163 C MET A 267 10.053 -22.690 -4.811 1.00 0.00 C ATOM 164 O MET A 267 10.542 -22.407 -3.713 1.00 0.00 O ATOM 165 CB MET A 267 7.946 -22.722 -6.242 1.00 0.00 C ATOM 166 CG MET A 267 6.457 -23.092 -6.266 1.00 0.00 C ATOM 167 SD MET A 267 5.895 -23.211 -7.984 1.00 0.00 S ATOM 168 CE MET A 267 6.290 -24.959 -8.231 1.00 0.00 C ATOM 0 H MET A 267 7.710 -21.440 -3.899 1.00 0.00 H new ATOM 0 HA MET A 267 8.501 -24.204 -4.807 1.00 0.00 H new ATOM 0 HB2 MET A 267 8.064 -21.651 -6.405 1.00 0.00 H new ATOM 0 HB3 MET A 267 8.466 -23.227 -7.056 1.00 0.00 H new ATOM 0 HG2 MET A 267 6.298 -24.041 -5.753 1.00 0.00 H new ATOM 0 HG3 MET A 267 5.875 -22.340 -5.733 1.00 0.00 H new ATOM 0 HE1 MET A 267 6.020 -25.253 -9.245 1.00 0.00 H new ATOM 0 HE2 MET A 267 7.358 -25.116 -8.080 1.00 0.00 H new ATOM 0 HE3 MET A 267 5.730 -25.563 -7.517 1.00 0.00 H new ATOM 178 N ASP A 268 10.771 -22.627 -5.922 1.00 0.00 N ATOM 179 CA ASP A 268 12.207 -22.195 -5.880 1.00 0.00 C ATOM 180 C ASP A 268 12.277 -20.775 -5.312 1.00 0.00 C ATOM 181 O ASP A 268 12.153 -19.792 -6.054 1.00 0.00 O ATOM 182 CB ASP A 268 12.828 -22.219 -7.285 1.00 0.00 C ATOM 183 CG ASP A 268 11.928 -21.481 -8.273 1.00 0.00 C ATOM 184 OD1 ASP A 268 12.212 -20.329 -8.557 1.00 0.00 O ATOM 185 OD2 ASP A 268 10.967 -22.080 -8.730 1.00 0.00 O ATOM 0 H ASP A 268 10.419 -22.857 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 268 12.767 -22.884 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 268 13.814 -21.754 -7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 268 12.969 -23.250 -7.610 1.00 0.00 H new ATOM 190 N VAL A 269 12.471 -20.651 -4.017 1.00 0.00 N ATOM 191 CA VAL A 269 12.552 -19.300 -3.375 1.00 0.00 C ATOM 192 C VAL A 269 13.983 -19.064 -2.891 1.00 0.00 C ATOM 193 O VAL A 269 14.538 -17.977 -3.082 1.00 0.00 O ATOM 194 CB VAL A 269 11.556 -19.187 -2.204 1.00 0.00 C ATOM 195 CG1 VAL A 269 10.124 -19.307 -2.734 1.00 0.00 C ATOM 196 CG2 VAL A 269 11.803 -20.299 -1.178 1.00 0.00 C ATOM 0 H VAL A 269 12.577 -21.436 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 269 12.286 -18.538 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 269 11.697 -18.219 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.421 -19.227 -1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 269 9.933 -18.508 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 269 9.997 -20.272 -3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 269 11.090 -20.203 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.677 -21.270 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 269 12.817 -20.216 -0.788 1.00 0.00 H new ATOM 206 N LYS A 270 14.591 -20.065 -2.290 1.00 0.00 N ATOM 207 CA LYS A 270 16.008 -19.928 -1.804 1.00 0.00 C ATOM 208 C LYS A 270 16.993 -20.287 -2.929 1.00 0.00 C ATOM 209 O LYS A 270 18.203 -20.080 -2.785 1.00 0.00 O ATOM 210 CB LYS A 270 16.257 -20.854 -0.608 1.00 0.00 C ATOM 211 CG LYS A 270 15.464 -20.363 0.604 1.00 0.00 C ATOM 212 CD LYS A 270 15.829 -21.204 1.830 1.00 0.00 C ATOM 213 CE LYS A 270 14.874 -20.874 2.981 1.00 0.00 C ATOM 214 NZ LYS A 270 13.562 -21.543 2.747 1.00 0.00 N ATOM 0 H LYS A 270 14.165 -20.975 -2.114 1.00 0.00 H new ATOM 0 HA LYS A 270 16.163 -18.893 -1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 270 15.962 -21.873 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 270 17.321 -20.879 -0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 270 15.683 -19.312 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 270 14.395 -20.436 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 270 15.769 -22.265 1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 270 16.858 -21.003 2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 270 15.300 -21.207 3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 270 14.736 -19.795 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 13.000 -21.521 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 13.048 -21.045 1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 13.722 -22.531 2.463 1.00 0.00 H new ATOM 228 N LYS A 271 16.507 -20.824 -4.033 1.00 0.00 N ATOM 229 CA LYS A 271 17.397 -21.210 -5.169 1.00 0.00 C ATOM 230 C LYS A 271 17.745 -19.967 -5.984 1.00 0.00 C ATOM 231 O LYS A 271 17.159 -18.898 -5.780 1.00 0.00 O ATOM 232 CB LYS A 271 16.672 -22.237 -6.052 1.00 0.00 C ATOM 233 CG LYS A 271 17.677 -22.981 -6.933 1.00 0.00 C ATOM 234 CD LYS A 271 16.982 -24.144 -7.644 1.00 0.00 C ATOM 235 CE LYS A 271 17.876 -24.661 -8.778 1.00 0.00 C ATOM 236 NZ LYS A 271 18.891 -25.599 -8.222 1.00 0.00 N ATOM 0 H LYS A 271 15.516 -21.010 -4.189 1.00 0.00 H new ATOM 0 HA LYS A 271 18.317 -21.653 -4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 271 16.130 -22.947 -5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 271 15.933 -21.734 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 271 18.106 -22.299 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 271 18.501 -23.355 -6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 271 16.776 -24.946 -6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 271 16.022 -23.818 -8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 271 17.271 -25.167 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 271 18.370 -23.826 -9.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 19.497 -25.950 -8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 19.475 -25.102 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 18.410 -26.401 -7.767 1.00 0.00 H new ATOM 250 N CYS A 272 18.683 -20.089 -6.898 1.00 0.00 N ATOM 251 CA CYS A 272 19.093 -18.925 -7.746 1.00 0.00 C ATOM 252 C CYS A 272 17.921 -18.491 -8.632 1.00 0.00 C ATOM 253 O CYS A 272 17.842 -17.324 -9.032 1.00 0.00 O ATOM 254 CB CYS A 272 20.286 -19.326 -8.629 1.00 0.00 C ATOM 255 SG CYS A 272 21.444 -17.939 -8.760 1.00 0.00 S ATOM 0 H CYS A 272 19.185 -20.955 -7.092 1.00 0.00 H new ATOM 0 HA CYS A 272 19.382 -18.095 -7.101 1.00 0.00 H new ATOM 0 HB2 CYS A 272 20.790 -20.194 -8.204 1.00 0.00 H new ATOM 0 HB3 CYS A 272 19.936 -19.615 -9.620 1.00 0.00 H new ATOM 0 HG CYS A 272 22.452 -18.284 -9.506 1.00 0.00 H new ATOM 261 N GLY A 273 17.021 -19.400 -8.950 1.00 0.00 N ATOM 262 CA GLY A 273 15.856 -19.053 -9.819 1.00 0.00 C ATOM 263 C GLY A 273 16.293 -19.141 -11.273 1.00 0.00 C ATOM 264 O GLY A 273 16.485 -18.123 -11.947 1.00 0.00 O ATOM 0 H GLY A 273 17.049 -20.371 -8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 273 15.027 -19.735 -9.631 1.00 0.00 H new ATOM 0 HA3 GLY A 273 15.500 -18.048 -9.591 1.00 0.00 H new ATOM 268 N ILE A 274 16.458 -20.345 -11.752 1.00 0.00 N ATOM 269 CA ILE A 274 16.895 -20.577 -13.165 1.00 0.00 C ATOM 270 C ILE A 274 15.875 -19.935 -14.102 1.00 0.00 C ATOM 271 O ILE A 274 14.671 -19.949 -13.822 1.00 0.00 O ATOM 272 CB ILE A 274 16.993 -22.092 -13.460 1.00 0.00 C ATOM 273 CG1 ILE A 274 17.840 -22.820 -12.371 1.00 0.00 C ATOM 274 CG2 ILE A 274 17.596 -22.319 -14.857 1.00 0.00 C ATOM 275 CD1 ILE A 274 19.323 -22.395 -12.390 1.00 0.00 C ATOM 0 H ILE A 274 16.305 -21.198 -11.213 1.00 0.00 H new ATOM 0 HA ILE A 274 17.879 -20.134 -13.318 1.00 0.00 H new ATOM 0 HB ILE A 274 15.988 -22.513 -13.438 1.00 0.00 H new ATOM 0 HG12 ILE A 274 17.418 -22.610 -11.388 1.00 0.00 H new ATOM 0 HG13 ILE A 274 17.773 -23.897 -12.524 1.00 0.00 H new ATOM 0 HG21 ILE A 274 17.661 -23.389 -15.056 1.00 0.00 H new ATOM 0 HG22 ILE A 274 16.962 -21.848 -15.608 1.00 0.00 H new ATOM 0 HG23 ILE A 274 18.593 -21.881 -14.898 1.00 0.00 H new ATOM 0 HD11 ILE A 274 19.865 -22.932 -11.612 1.00 0.00 H new ATOM 0 HD12 ILE A 274 19.756 -22.629 -13.362 1.00 0.00 H new ATOM 0 HD13 ILE A 274 19.397 -21.323 -12.209 1.00 0.00 H new ATOM 287 N GLN A 275 16.332 -19.374 -15.200 1.00 0.00 N ATOM 288 CA GLN A 275 15.401 -18.718 -16.171 1.00 0.00 C ATOM 289 C GLN A 275 15.639 -19.290 -17.564 1.00 0.00 C ATOM 290 O GLN A 275 16.595 -20.043 -17.778 1.00 0.00 O ATOM 291 CB GLN A 275 15.632 -17.205 -16.190 1.00 0.00 C ATOM 292 CG GLN A 275 15.275 -16.617 -14.824 1.00 0.00 C ATOM 293 CD GLN A 275 15.376 -15.095 -14.870 1.00 0.00 C ATOM 294 OE1 GLN A 275 16.468 -14.550 -15.035 1.00 0.00 O ATOM 295 NE2 GLN A 275 14.297 -14.375 -14.735 1.00 0.00 N ATOM 0 H GLN A 275 17.317 -19.344 -15.464 1.00 0.00 H new ATOM 0 HA GLN A 275 14.373 -18.912 -15.864 1.00 0.00 H new ATOM 0 HB2 GLN A 275 16.673 -16.988 -16.430 1.00 0.00 H new ATOM 0 HB3 GLN A 275 15.023 -16.743 -16.967 1.00 0.00 H new ATOM 0 HG2 GLN A 275 14.265 -16.915 -14.543 1.00 0.00 H new ATOM 0 HG3 GLN A 275 15.947 -17.012 -14.062 1.00 0.00 H new ATOM 0 HE21 GLN A 275 13.394 -14.830 -14.599 1.00 0.00 H new ATOM 0 HE22 GLN A 275 14.356 -13.357 -14.766 1.00 0.00 H new ATOM 304 N ASP A 276 14.789 -18.948 -18.508 1.00 0.00 N ATOM 305 CA ASP A 276 14.945 -19.463 -19.902 1.00 0.00 C ATOM 306 C ASP A 276 15.605 -18.381 -20.765 1.00 0.00 C ATOM 307 O ASP A 276 15.154 -18.085 -21.881 1.00 0.00 O ATOM 308 CB ASP A 276 13.570 -19.847 -20.467 1.00 0.00 C ATOM 309 CG ASP A 276 13.004 -21.037 -19.698 1.00 0.00 C ATOM 310 OD1 ASP A 276 13.656 -22.069 -19.679 1.00 0.00 O ATOM 311 OD2 ASP A 276 11.928 -20.901 -19.140 1.00 0.00 O ATOM 0 H ASP A 276 13.990 -18.330 -18.367 1.00 0.00 H new ATOM 0 HA ASP A 276 15.577 -20.351 -19.904 1.00 0.00 H new ATOM 0 HB2 ASP A 276 12.888 -18.999 -20.395 1.00 0.00 H new ATOM 0 HB3 ASP A 276 13.659 -20.096 -21.525 1.00 0.00 H new ATOM 316 N THR A 277 16.673 -17.794 -20.269 1.00 0.00 N ATOM 317 CA THR A 277 17.397 -16.734 -21.038 1.00 0.00 C ATOM 318 C THR A 277 18.232 -17.395 -22.128 1.00 0.00 C ATOM 319 O THR A 277 18.146 -17.023 -23.303 1.00 0.00 O ATOM 320 CB THR A 277 18.300 -15.932 -20.106 1.00 0.00 C ATOM 321 OG1 THR A 277 17.585 -15.598 -18.925 1.00 0.00 O ATOM 322 CG2 THR A 277 18.762 -14.651 -20.807 1.00 0.00 C ATOM 0 H THR A 277 17.075 -18.008 -19.356 1.00 0.00 H new ATOM 0 HA THR A 277 16.674 -16.055 -21.489 1.00 0.00 H new ATOM 0 HB THR A 277 19.172 -16.532 -19.845 1.00 0.00 H new ATOM 0 HG1 THR A 277 18.165 -15.084 -18.325 1.00 0.00 H new ATOM 0 HG21 THR A 277 19.407 -14.082 -20.137 1.00 0.00 H new ATOM 0 HG22 THR A 277 19.315 -14.910 -21.710 1.00 0.00 H new ATOM 0 HG23 THR A 277 17.894 -14.049 -21.073 1.00 0.00 H new ATOM 330 N ASN A 278 19.028 -18.373 -21.757 1.00 0.00 N ATOM 331 CA ASN A 278 19.885 -19.098 -22.753 1.00 0.00 C ATOM 332 C ASN A 278 19.607 -20.606 -22.690 1.00 0.00 C ATOM 333 O ASN A 278 19.943 -21.339 -23.624 1.00 0.00 O ATOM 334 CB ASN A 278 21.368 -18.836 -22.470 1.00 0.00 C ATOM 335 CG ASN A 278 21.699 -19.136 -21.007 1.00 0.00 C ATOM 336 OD1 ASN A 278 21.109 -20.032 -20.401 1.00 0.00 O ATOM 337 ND2 ASN A 278 22.620 -18.436 -20.404 1.00 0.00 N ATOM 0 H ASN A 278 19.121 -18.703 -20.796 1.00 0.00 H new ATOM 0 HA ASN A 278 19.643 -18.730 -23.750 1.00 0.00 H new ATOM 0 HB2 ASN A 278 21.983 -19.456 -23.122 1.00 0.00 H new ATOM 0 HB3 ASN A 278 21.609 -17.798 -22.697 1.00 0.00 H new ATOM 0 HD21 ASN A 278 22.852 -18.630 -19.430 1.00 0.00 H new ATOM 0 HD22 ASN A 278 23.108 -17.694 -20.907 1.00 0.00 H new ATOM 344 N SER A 279 18.999 -21.080 -21.616 1.00 0.00 N ATOM 345 CA SER A 279 18.682 -22.540 -21.471 1.00 0.00 C ATOM 346 C SER A 279 19.978 -23.347 -21.432 1.00 0.00 C ATOM 347 O SER A 279 20.725 -23.394 -22.415 1.00 0.00 O ATOM 348 CB SER A 279 17.798 -23.019 -22.631 1.00 0.00 C ATOM 349 OG SER A 279 16.828 -23.932 -22.134 1.00 0.00 O ATOM 0 H SER A 279 18.707 -20.505 -20.826 1.00 0.00 H new ATOM 0 HA SER A 279 18.137 -22.689 -20.539 1.00 0.00 H new ATOM 0 HB2 SER A 279 17.306 -22.169 -23.104 1.00 0.00 H new ATOM 0 HB3 SER A 279 18.409 -23.499 -23.395 1.00 0.00 H new ATOM 0 HG SER A 279 16.260 -24.239 -22.871 1.00 0.00 H new ATOM 355 N LYS A 280 20.247 -23.987 -20.315 1.00 0.00 N ATOM 356 CA LYS A 280 21.486 -24.811 -20.176 1.00 0.00 C ATOM 357 C LYS A 280 21.193 -26.003 -19.270 1.00 0.00 C ATOM 358 O LYS A 280 21.101 -25.854 -18.048 1.00 0.00 O ATOM 359 CB LYS A 280 22.619 -23.972 -19.577 1.00 0.00 C ATOM 360 CG LYS A 280 23.166 -23.013 -20.638 1.00 0.00 C ATOM 361 CD LYS A 280 24.277 -22.156 -20.028 1.00 0.00 C ATOM 362 CE LYS A 280 24.920 -21.296 -21.119 1.00 0.00 C ATOM 363 NZ LYS A 280 25.739 -22.162 -22.015 1.00 0.00 N ATOM 0 H LYS A 280 19.652 -23.971 -19.487 1.00 0.00 H new ATOM 0 HA LYS A 280 21.797 -25.162 -21.160 1.00 0.00 H new ATOM 0 HB2 LYS A 280 22.253 -23.409 -18.718 1.00 0.00 H new ATOM 0 HB3 LYS A 280 23.415 -24.623 -19.216 1.00 0.00 H new ATOM 0 HG2 LYS A 280 23.552 -23.576 -21.488 1.00 0.00 H new ATOM 0 HG3 LYS A 280 22.366 -22.376 -21.014 1.00 0.00 H new ATOM 0 HD2 LYS A 280 23.869 -21.520 -19.242 1.00 0.00 H new ATOM 0 HD3 LYS A 280 25.029 -22.794 -19.564 1.00 0.00 H new ATOM 0 HE2 LYS A 280 24.149 -20.784 -21.695 1.00 0.00 H new ATOM 0 HE3 LYS A 280 25.546 -20.526 -20.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 26.417 -21.574 -22.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 26.256 -22.861 -21.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 25.116 -22.655 -22.686 1.00 0.00 H new ATOM 377 N LYS A 281 21.044 -27.175 -19.847 1.00 0.00 N ATOM 378 CA LYS A 281 20.752 -28.400 -19.035 1.00 0.00 C ATOM 379 C LYS A 281 21.653 -29.542 -19.497 1.00 0.00 C ATOM 380 O LYS A 281 22.071 -29.581 -20.660 1.00 0.00 O ATOM 381 CB LYS A 281 19.272 -28.804 -19.177 1.00 0.00 C ATOM 382 CG LYS A 281 18.913 -29.028 -20.655 1.00 0.00 C ATOM 383 CD LYS A 281 17.545 -29.716 -20.761 1.00 0.00 C ATOM 384 CE LYS A 281 16.429 -28.699 -20.501 1.00 0.00 C ATOM 385 NZ LYS A 281 15.112 -29.310 -20.835 1.00 0.00 N ATOM 0 H LYS A 281 21.113 -27.335 -20.852 1.00 0.00 H new ATOM 0 HA LYS A 281 20.949 -28.184 -17.985 1.00 0.00 H new ATOM 0 HB2 LYS A 281 19.082 -29.714 -18.609 1.00 0.00 H new ATOM 0 HB3 LYS A 281 18.635 -28.026 -18.756 1.00 0.00 H new ATOM 0 HG2 LYS A 281 18.892 -28.074 -21.182 1.00 0.00 H new ATOM 0 HG3 LYS A 281 19.676 -29.641 -21.135 1.00 0.00 H new ATOM 0 HD2 LYS A 281 17.425 -30.156 -21.751 1.00 0.00 H new ATOM 0 HD3 LYS A 281 17.481 -30.531 -20.040 1.00 0.00 H new ATOM 0 HE2 LYS A 281 16.443 -28.387 -19.457 1.00 0.00 H new ATOM 0 HE3 LYS A 281 16.590 -27.805 -21.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 14.354 -28.620 -20.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 15.102 -29.587 -21.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 14.959 -30.151 -20.242 1.00 0.00 H new ATOM 399 N GLN A 282 21.955 -30.465 -18.611 1.00 0.00 N ATOM 400 CA GLN A 282 22.830 -31.621 -18.975 1.00 0.00 C ATOM 401 C GLN A 282 21.973 -32.708 -19.617 1.00 0.00 C ATOM 402 O GLN A 282 20.779 -32.820 -19.320 1.00 0.00 O ATOM 403 CB GLN A 282 23.527 -32.175 -17.729 1.00 0.00 C ATOM 404 CG GLN A 282 24.637 -31.215 -17.282 1.00 0.00 C ATOM 405 CD GLN A 282 24.036 -30.060 -16.489 1.00 0.00 C ATOM 406 OE1 GLN A 282 23.598 -29.068 -17.070 1.00 0.00 O ATOM 407 NE2 GLN A 282 23.993 -30.130 -15.187 1.00 0.00 N ATOM 0 H GLN A 282 21.628 -30.464 -17.645 1.00 0.00 H new ATOM 0 HA GLN A 282 23.594 -31.289 -19.678 1.00 0.00 H new ATOM 0 HB2 GLN A 282 22.803 -32.307 -16.925 1.00 0.00 H new ATOM 0 HB3 GLN A 282 23.948 -33.157 -17.944 1.00 0.00 H new ATOM 0 HG2 GLN A 282 25.366 -31.747 -16.670 1.00 0.00 H new ATOM 0 HG3 GLN A 282 25.170 -30.832 -18.152 1.00 0.00 H new ATOM 0 HE21 GLN A 282 24.357 -30.954 -14.708 1.00 0.00 H new ATOM 0 HE22 GLN A 282 23.595 -29.361 -14.648 1.00 0.00 H new ATOM 416 N SER A 283 22.555 -33.497 -20.491 1.00 0.00 N ATOM 417 CA SER A 283 21.788 -34.583 -21.174 1.00 0.00 C ATOM 418 C SER A 283 22.611 -35.865 -21.179 1.00 0.00 C ATOM 419 O SER A 283 23.846 -35.817 -21.210 1.00 0.00 O ATOM 420 CB SER A 283 21.473 -34.170 -22.611 1.00 0.00 C ATOM 421 OG SER A 283 20.322 -34.873 -23.061 1.00 0.00 O ATOM 0 H SER A 283 23.537 -33.432 -20.761 1.00 0.00 H new ATOM 0 HA SER A 283 20.855 -34.754 -20.638 1.00 0.00 H new ATOM 0 HB2 SER A 283 21.300 -33.095 -22.663 1.00 0.00 H new ATOM 0 HB3 SER A 283 22.322 -34.388 -23.259 1.00 0.00 H new ATOM 0 HG SER A 283 20.117 -34.609 -23.982 1.00 0.00 H new ATOM 427 N ASP A 284 21.953 -37.006 -21.177 1.00 0.00 N ATOM 428 CA ASP A 284 22.686 -38.312 -21.211 1.00 0.00 C ATOM 429 C ASP A 284 23.535 -38.357 -22.484 1.00 0.00 C ATOM 430 O ASP A 284 23.535 -37.390 -23.242 1.00 0.00 O ATOM 431 CB ASP A 284 21.690 -39.477 -21.194 1.00 0.00 C ATOM 432 CG ASP A 284 20.719 -39.354 -22.363 1.00 0.00 C ATOM 433 OD1 ASP A 284 20.993 -39.934 -23.402 1.00 0.00 O ATOM 434 OD2 ASP A 284 19.711 -38.685 -22.202 1.00 0.00 O ATOM 0 H ASP A 284 20.936 -37.085 -21.153 1.00 0.00 H new ATOM 0 HA ASP A 284 23.328 -38.402 -20.335 1.00 0.00 H new ATOM 0 HB2 ASP A 284 22.226 -40.424 -21.254 1.00 0.00 H new ATOM 0 HB3 ASP A 284 21.140 -39.481 -20.253 1.00 0.00 H new ATOM 439 N THR A 285 24.221 -39.471 -22.723 1.00 0.00 N ATOM 440 CA THR A 285 25.122 -39.676 -23.938 1.00 0.00 C ATOM 441 C THR A 285 25.539 -38.333 -24.610 1.00 0.00 C ATOM 442 O THR A 285 25.746 -37.336 -23.906 1.00 0.00 O ATOM 443 CB THR A 285 24.391 -40.592 -24.947 1.00 0.00 C ATOM 444 OG1 THR A 285 23.218 -39.938 -25.410 1.00 0.00 O ATOM 445 CG2 THR A 285 24.006 -41.917 -24.281 1.00 0.00 C ATOM 0 H THR A 285 24.193 -40.279 -22.102 1.00 0.00 H new ATOM 0 HA THR A 285 26.047 -40.145 -23.603 1.00 0.00 H new ATOM 0 HB THR A 285 25.056 -40.799 -25.785 1.00 0.00 H new ATOM 0 HG1 THR A 285 22.524 -39.984 -24.720 1.00 0.00 H new ATOM 0 HG21 THR A 285 23.492 -42.551 -25.003 1.00 0.00 H new ATOM 0 HG22 THR A 285 24.905 -42.422 -23.929 1.00 0.00 H new ATOM 0 HG23 THR A 285 23.346 -41.721 -23.436 1.00 0.00 H new