USER MOD reduce.3.24.130724 H: found=0, std=0, add=229, rem=0, adj=9 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 283 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 285 THR OG1 : rot 180:sc= 0.00457 USER MOD Set 2.1: A 266 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 270 LYS NZ :NH3+ 158:sc= 0 (180deg=0) USER MOD Single : A 263 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 267 MET CE :methyl -156:sc= -0.0497 (180deg=-0.643) USER MOD Single : A 271 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 272 CYS SG : rot -31:sc= 0.692 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= -0.0626 X(o=-0.063,f=-0.27) USER MOD Single : A 279 SER OG : rot 180:sc= 0 USER MOD Single : A 280 LYS NZ :NH3+ -126:sc= -0.0696 (180deg=-0.632) USER MOD Single : A 281 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.118) USER MOD Single : A 282 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 10 N PRO A 259 -13.203 -20.690 4.391 1.00 0.00 N ATOM 11 CA PRO A 259 -12.523 -20.127 3.180 1.00 0.00 C ATOM 12 C PRO A 259 -11.249 -20.891 2.804 1.00 0.00 C ATOM 13 O PRO A 259 -10.748 -20.745 1.688 1.00 0.00 O ATOM 14 CB PRO A 259 -12.206 -18.684 3.598 1.00 0.00 C ATOM 15 CG PRO A 259 -12.835 -18.411 4.967 1.00 0.00 C ATOM 16 CD PRO A 259 -13.408 -19.719 5.519 1.00 0.00 C ATOM 0 HA PRO A 259 -13.147 -20.197 2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -11.127 -18.534 3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -12.595 -17.984 2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -12.088 -18.008 5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -13.622 -17.663 4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -12.887 -20.036 6.423 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -14.462 -19.619 5.777 1.00 0.00 H new ATOM 24 N ARG A 260 -10.736 -21.709 3.707 1.00 0.00 N ATOM 25 CA ARG A 260 -9.499 -22.519 3.443 1.00 0.00 C ATOM 26 C ARG A 260 -8.438 -21.694 2.677 1.00 0.00 C ATOM 27 O ARG A 260 -8.474 -20.460 2.695 1.00 0.00 O ATOM 28 CB ARG A 260 -9.889 -23.832 2.711 1.00 0.00 C ATOM 29 CG ARG A 260 -10.184 -23.622 1.200 1.00 0.00 C ATOM 30 CD ARG A 260 -11.696 -23.595 0.932 1.00 0.00 C ATOM 31 NE ARG A 260 -11.953 -23.503 -0.543 1.00 0.00 N ATOM 32 CZ ARG A 260 -13.145 -23.760 -1.065 1.00 0.00 C ATOM 33 NH1 ARG A 260 -13.307 -23.652 -2.354 1.00 0.00 N ATOM 34 NH2 ARG A 260 -14.166 -24.127 -0.319 1.00 0.00 N ATOM 0 H ARG A 260 -11.136 -21.849 4.635 1.00 0.00 H new ATOM 0 HA ARG A 260 -9.033 -22.791 4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -9.081 -24.556 2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -10.769 -24.261 3.191 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -9.735 -22.687 0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -9.723 -24.422 0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -12.161 -24.494 1.335 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -12.149 -22.745 1.442 1.00 0.00 H new ATOM 0 HE ARG A 260 -11.189 -23.235 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -12.524 -23.374 -2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -14.217 -23.846 -2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -14.053 -24.221 0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -15.070 -24.318 -0.750 1.00 0.00 H new ATOM 48 N LEU A 261 -7.513 -22.356 2.010 1.00 0.00 N ATOM 49 CA LEU A 261 -6.452 -21.644 1.233 1.00 0.00 C ATOM 50 C LEU A 261 -6.400 -22.231 -0.174 1.00 0.00 C ATOM 51 O LEU A 261 -6.925 -23.324 -0.410 1.00 0.00 O ATOM 52 CB LEU A 261 -5.078 -21.796 1.920 1.00 0.00 C ATOM 53 CG LEU A 261 -4.729 -23.290 2.147 1.00 0.00 C ATOM 54 CD1 LEU A 261 -4.089 -23.892 0.880 1.00 0.00 C ATOM 55 CD2 LEU A 261 -3.746 -23.412 3.325 1.00 0.00 C ATOM 0 H LEU A 261 -7.453 -23.374 1.974 1.00 0.00 H new ATOM 0 HA LEU A 261 -6.690 -20.581 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -4.308 -21.329 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -5.086 -21.272 2.876 1.00 0.00 H new ATOM 0 HG LEU A 261 -5.645 -23.836 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -3.850 -24.941 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -4.788 -23.814 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -3.176 -23.347 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -3.500 -24.461 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -2.836 -22.856 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -4.205 -23.005 4.226 1.00 0.00 H new ATOM 67 N ARG A 262 -5.771 -21.542 -1.101 1.00 0.00 N ATOM 68 CA ARG A 262 -5.663 -22.061 -2.501 1.00 0.00 C ATOM 69 C ARG A 262 -4.191 -22.330 -2.810 1.00 0.00 C ATOM 70 O ARG A 262 -3.319 -22.066 -1.976 1.00 0.00 O ATOM 71 CB ARG A 262 -6.251 -21.048 -3.501 1.00 0.00 C ATOM 72 CG ARG A 262 -6.665 -21.762 -4.818 1.00 0.00 C ATOM 73 CD ARG A 262 -7.959 -21.162 -5.402 1.00 0.00 C ATOM 74 NE ARG A 262 -9.114 -22.083 -5.132 1.00 0.00 N ATOM 75 CZ ARG A 262 -10.373 -21.697 -5.287 1.00 0.00 C ATOM 76 NH1 ARG A 262 -11.332 -22.549 -5.043 1.00 0.00 N ATOM 77 NH2 ARG A 262 -10.684 -20.481 -5.680 1.00 0.00 N ATOM 0 H ARG A 262 -5.326 -20.638 -0.944 1.00 0.00 H new ATOM 0 HA ARG A 262 -6.232 -22.986 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -7.117 -20.554 -3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -5.516 -20.272 -3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -5.861 -21.676 -5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -6.809 -22.825 -4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -8.150 -20.185 -4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -7.847 -21.009 -6.475 1.00 0.00 H new ATOM 0 HE ARG A 262 -8.924 -23.035 -4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -11.107 -23.496 -4.738 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -12.306 -22.267 -5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -9.947 -19.804 -5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -11.663 -20.215 -5.790 1.00 0.00 H new ATOM 91 N LYS A 263 -3.903 -22.861 -3.978 1.00 0.00 N ATOM 92 CA LYS A 263 -2.495 -23.180 -4.367 1.00 0.00 C ATOM 93 C LYS A 263 -1.584 -21.977 -4.114 1.00 0.00 C ATOM 94 O LYS A 263 -2.055 -20.879 -3.799 1.00 0.00 O ATOM 95 CB LYS A 263 -2.439 -23.597 -5.846 1.00 0.00 C ATOM 96 CG LYS A 263 -2.991 -22.475 -6.741 1.00 0.00 C ATOM 97 CD LYS A 263 -2.909 -22.882 -8.217 1.00 0.00 C ATOM 98 CE LYS A 263 -1.453 -22.825 -8.696 1.00 0.00 C ATOM 99 NZ LYS A 263 -1.404 -23.051 -10.169 1.00 0.00 N ATOM 0 H LYS A 263 -4.599 -23.089 -4.688 1.00 0.00 H new ATOM 0 HA LYS A 263 -2.142 -24.010 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -1.411 -23.823 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -3.018 -24.508 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -4.026 -22.262 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -2.424 -21.558 -6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -3.304 -23.889 -8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -3.526 -22.217 -8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -1.016 -21.857 -8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 263 -0.860 -23.581 -8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 -0.417 -23.012 -10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -1.805 -23.985 -10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -1.956 -22.314 -10.652 1.00 0.00 H new ATOM 113 N GLY A 264 -0.296 -22.180 -4.242 1.00 0.00 N ATOM 114 CA GLY A 264 0.698 -21.085 -4.012 1.00 0.00 C ATOM 115 C GLY A 264 1.791 -21.562 -3.046 1.00 0.00 C ATOM 116 O GLY A 264 2.505 -20.742 -2.459 1.00 0.00 O ATOM 0 H GLY A 264 0.116 -23.076 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 264 1.145 -20.784 -4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 264 0.197 -20.208 -3.603 1.00 0.00 H new ATOM 120 N ARG A 265 1.937 -22.863 -2.875 1.00 0.00 N ATOM 121 CA ARG A 265 2.979 -23.412 -1.956 1.00 0.00 C ATOM 122 C ARG A 265 4.355 -22.910 -2.394 1.00 0.00 C ATOM 123 O ARG A 265 4.563 -22.579 -3.566 1.00 0.00 O ATOM 124 CB ARG A 265 2.946 -24.954 -1.999 1.00 0.00 C ATOM 125 CG ARG A 265 2.201 -25.517 -0.778 1.00 0.00 C ATOM 126 CD ARG A 265 0.688 -25.344 -0.944 1.00 0.00 C ATOM 127 NE ARG A 265 0.278 -23.968 -0.503 1.00 0.00 N ATOM 128 CZ ARG A 265 -0.933 -23.484 -0.737 1.00 0.00 C ATOM 129 NH1 ARG A 265 -1.218 -22.274 -0.342 1.00 0.00 N ATOM 130 NH2 ARG A 265 -1.858 -24.193 -1.347 1.00 0.00 N ATOM 0 H ARG A 265 1.368 -23.569 -3.342 1.00 0.00 H new ATOM 0 HA ARG A 265 2.780 -23.079 -0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 265 2.457 -25.287 -2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 265 3.964 -25.344 -2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 265 2.440 -26.573 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 265 2.534 -25.006 0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 265 0.408 -25.500 -1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 265 0.161 -26.096 -0.356 1.00 0.00 H new ATOM 0 HE ARG A 265 0.954 -23.387 -0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 265 -0.513 -21.715 0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 265 -2.146 -21.886 -0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 265 -1.652 -25.144 -1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 265 -2.781 -23.792 -1.513 1.00 0.00 H new ATOM 144 N MET A 266 5.289 -22.851 -1.469 1.00 0.00 N ATOM 145 CA MET A 266 6.672 -22.373 -1.782 1.00 0.00 C ATOM 146 C MET A 266 7.234 -23.121 -2.991 1.00 0.00 C ATOM 147 O MET A 266 7.270 -24.356 -3.009 1.00 0.00 O ATOM 148 CB MET A 266 7.589 -22.607 -0.572 1.00 0.00 C ATOM 149 CG MET A 266 8.946 -21.906 -0.770 1.00 0.00 C ATOM 150 SD MET A 266 10.193 -23.118 -1.287 1.00 0.00 S ATOM 151 CE MET A 266 10.972 -23.366 0.330 1.00 0.00 C ATOM 0 H MET A 266 5.145 -23.119 -0.495 1.00 0.00 H new ATOM 0 HA MET A 266 6.627 -21.308 -2.010 1.00 0.00 H new ATOM 0 HB2 MET A 266 7.109 -22.231 0.332 1.00 0.00 H new ATOM 0 HB3 MET A 266 7.744 -23.676 -0.429 1.00 0.00 H new ATOM 0 HG2 MET A 266 8.854 -21.122 -1.521 1.00 0.00 H new ATOM 0 HG3 MET A 266 9.256 -21.425 0.157 1.00 0.00 H new ATOM 0 HE1 MET A 266 11.782 -24.090 0.237 1.00 0.00 H new ATOM 0 HE2 MET A 266 11.372 -22.418 0.690 1.00 0.00 H new ATOM 0 HE3 MET A 266 10.231 -23.740 1.037 1.00 0.00 H new ATOM 161 N MET A 267 7.687 -22.389 -3.983 1.00 0.00 N ATOM 162 CA MET A 267 8.280 -23.017 -5.206 1.00 0.00 C ATOM 163 C MET A 267 9.778 -22.666 -5.216 1.00 0.00 C ATOM 164 O MET A 267 10.359 -22.479 -4.142 1.00 0.00 O ATOM 165 CB MET A 267 7.565 -22.494 -6.469 1.00 0.00 C ATOM 166 CG MET A 267 6.068 -22.813 -6.396 1.00 0.00 C ATOM 167 SD MET A 267 5.297 -22.459 -7.995 1.00 0.00 S ATOM 168 CE MET A 267 5.434 -20.656 -7.919 1.00 0.00 C ATOM 0 H MET A 267 7.670 -21.369 -3.996 1.00 0.00 H new ATOM 0 HA MET A 267 8.155 -24.100 -5.197 1.00 0.00 H new ATOM 0 HB2 MET A 267 7.712 -21.418 -6.560 1.00 0.00 H new ATOM 0 HB3 MET A 267 7.999 -22.951 -7.358 1.00 0.00 H new ATOM 0 HG2 MET A 267 5.921 -23.861 -6.133 1.00 0.00 H new ATOM 0 HG3 MET A 267 5.596 -22.219 -5.613 1.00 0.00 H new ATOM 0 HE1 MET A 267 4.675 -20.206 -8.559 1.00 0.00 H new ATOM 0 HE2 MET A 267 5.286 -20.323 -6.892 1.00 0.00 H new ATOM 0 HE3 MET A 267 6.424 -20.352 -8.260 1.00 0.00 H new ATOM 178 N ASP A 268 10.414 -22.563 -6.374 1.00 0.00 N ATOM 179 CA ASP A 268 11.871 -22.209 -6.414 1.00 0.00 C ATOM 180 C ASP A 268 12.030 -20.770 -5.914 1.00 0.00 C ATOM 181 O ASP A 268 12.062 -19.820 -6.708 1.00 0.00 O ATOM 182 CB ASP A 268 12.431 -22.339 -7.841 1.00 0.00 C ATOM 183 CG ASP A 268 12.028 -23.680 -8.449 1.00 0.00 C ATOM 184 OD1 ASP A 268 12.299 -24.695 -7.830 1.00 0.00 O ATOM 185 OD2 ASP A 268 11.452 -23.669 -9.525 1.00 0.00 O ATOM 0 H ASP A 268 9.982 -22.710 -7.286 1.00 0.00 H new ATOM 0 HA ASP A 268 12.429 -22.895 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 268 12.057 -21.524 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 268 13.517 -22.253 -7.822 1.00 0.00 H new ATOM 190 N VAL A 269 12.117 -20.593 -4.614 1.00 0.00 N ATOM 191 CA VAL A 269 12.263 -19.223 -4.030 1.00 0.00 C ATOM 192 C VAL A 269 13.705 -19.041 -3.559 1.00 0.00 C ATOM 193 O VAL A 269 14.322 -18.001 -3.810 1.00 0.00 O ATOM 194 CB VAL A 269 11.270 -19.023 -2.866 1.00 0.00 C ATOM 195 CG1 VAL A 269 9.837 -19.211 -3.375 1.00 0.00 C ATOM 196 CG2 VAL A 269 11.534 -20.040 -1.748 1.00 0.00 C ATOM 0 H VAL A 269 12.093 -21.348 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 269 12.035 -18.472 -4.787 1.00 0.00 H new ATOM 0 HB VAL A 269 11.402 -18.015 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.137 -19.069 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 269 9.630 -18.481 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 269 9.723 -20.217 -3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 269 10.823 -19.882 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.418 -21.050 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 269 12.549 -19.911 -1.371 1.00 0.00 H new ATOM 206 N LYS A 270 14.250 -20.042 -2.902 1.00 0.00 N ATOM 207 CA LYS A 270 15.668 -19.965 -2.420 1.00 0.00 C ATOM 208 C LYS A 270 16.631 -20.318 -3.567 1.00 0.00 C ATOM 209 O LYS A 270 17.851 -20.196 -3.415 1.00 0.00 O ATOM 210 CB LYS A 270 15.886 -20.935 -1.250 1.00 0.00 C ATOM 211 CG LYS A 270 14.944 -20.579 -0.090 1.00 0.00 C ATOM 212 CD LYS A 270 15.428 -21.259 1.195 1.00 0.00 C ATOM 213 CE LYS A 270 14.600 -20.766 2.387 1.00 0.00 C ATOM 214 NZ LYS A 270 13.287 -21.470 2.407 1.00 0.00 N ATOM 0 H LYS A 270 13.769 -20.913 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 270 15.866 -18.948 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 270 15.703 -21.959 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 270 16.922 -20.887 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 270 14.914 -19.498 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 270 13.928 -20.899 -0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 270 15.338 -22.341 1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 270 16.483 -21.040 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 270 15.137 -20.950 3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 270 14.446 -19.689 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 12.889 -21.436 3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 12.634 -21.005 1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 13.420 -22.462 2.123 1.00 0.00 H new ATOM 228 N LYS A 271 16.111 -20.748 -4.703 1.00 0.00 N ATOM 229 CA LYS A 271 16.971 -21.111 -5.868 1.00 0.00 C ATOM 230 C LYS A 271 17.500 -19.833 -6.513 1.00 0.00 C ATOM 231 O LYS A 271 16.825 -18.799 -6.503 1.00 0.00 O ATOM 232 CB LYS A 271 16.139 -21.906 -6.883 1.00 0.00 C ATOM 233 CG LYS A 271 17.039 -22.479 -7.981 1.00 0.00 C ATOM 234 CD LYS A 271 17.792 -23.700 -7.457 1.00 0.00 C ATOM 235 CE LYS A 271 18.600 -24.306 -8.600 1.00 0.00 C ATOM 236 NZ LYS A 271 19.317 -25.520 -8.118 1.00 0.00 N ATOM 0 H LYS A 271 15.110 -20.861 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 271 17.810 -21.723 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 271 15.613 -22.715 -6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 271 15.381 -21.260 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 271 16.438 -22.757 -8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 271 17.747 -21.721 -8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 271 18.452 -23.414 -6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 271 17.091 -24.434 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 271 17.940 -24.566 -9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 271 19.315 -23.576 -8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 19.867 -25.931 -8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 19.959 -25.259 -7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 18.626 -26.218 -7.776 1.00 0.00 H new ATOM 250 N CYS A 272 18.686 -19.889 -7.075 1.00 0.00 N ATOM 251 CA CYS A 272 19.285 -18.687 -7.739 1.00 0.00 C ATOM 252 C CYS A 272 18.447 -18.279 -8.960 1.00 0.00 C ATOM 253 O CYS A 272 18.642 -17.187 -9.505 1.00 0.00 O ATOM 254 CB CYS A 272 20.715 -19.008 -8.183 1.00 0.00 C ATOM 255 SG CYS A 272 21.459 -17.542 -8.941 1.00 0.00 S ATOM 0 H CYS A 272 19.269 -20.725 -7.102 1.00 0.00 H new ATOM 0 HA CYS A 272 19.298 -17.861 -7.028 1.00 0.00 H new ATOM 0 HB2 CYS A 272 21.309 -19.328 -7.327 1.00 0.00 H new ATOM 0 HB3 CYS A 272 20.709 -19.834 -8.894 1.00 0.00 H new ATOM 0 HG CYS A 272 20.534 -16.836 -9.520 1.00 0.00 H new ATOM 261 N GLY A 273 17.530 -19.122 -9.400 1.00 0.00 N ATOM 262 CA GLY A 273 16.683 -18.787 -10.586 1.00 0.00 C ATOM 263 C GLY A 273 17.483 -19.042 -11.856 1.00 0.00 C ATOM 264 O GLY A 273 17.522 -18.208 -12.764 1.00 0.00 O ATOM 0 H GLY A 273 17.337 -20.031 -8.981 1.00 0.00 H new ATOM 0 HA2 GLY A 273 15.777 -19.393 -10.584 1.00 0.00 H new ATOM 0 HA3 GLY A 273 16.369 -17.744 -10.542 1.00 0.00 H new ATOM 268 N ILE A 274 18.122 -20.186 -11.918 1.00 0.00 N ATOM 269 CA ILE A 274 18.958 -20.580 -13.109 1.00 0.00 C ATOM 270 C ILE A 274 18.194 -20.267 -14.403 1.00 0.00 C ATOM 271 O ILE A 274 17.267 -20.994 -14.779 1.00 0.00 O ATOM 272 CB ILE A 274 19.283 -22.092 -13.060 1.00 0.00 C ATOM 273 CG1 ILE A 274 19.980 -22.460 -11.715 1.00 0.00 C ATOM 274 CG2 ILE A 274 20.165 -22.494 -14.265 1.00 0.00 C ATOM 275 CD1 ILE A 274 21.406 -21.878 -11.604 1.00 0.00 C ATOM 0 H ILE A 274 18.101 -20.885 -11.175 1.00 0.00 H new ATOM 0 HA ILE A 274 19.889 -20.014 -13.085 1.00 0.00 H new ATOM 0 HB ILE A 274 18.348 -22.649 -13.120 1.00 0.00 H new ATOM 0 HG12 ILE A 274 19.376 -22.092 -10.885 1.00 0.00 H new ATOM 0 HG13 ILE A 274 20.026 -23.545 -11.619 1.00 0.00 H new ATOM 0 HG21 ILE A 274 20.385 -23.561 -14.215 1.00 0.00 H new ATOM 0 HG22 ILE A 274 19.636 -22.275 -15.192 1.00 0.00 H new ATOM 0 HG23 ILE A 274 21.097 -21.930 -14.238 1.00 0.00 H new ATOM 0 HD11 ILE A 274 21.843 -22.166 -10.648 1.00 0.00 H new ATOM 0 HD12 ILE A 274 22.021 -22.266 -12.416 1.00 0.00 H new ATOM 0 HD13 ILE A 274 21.361 -20.791 -11.670 1.00 0.00 H new ATOM 287 N GLN A 275 18.578 -19.213 -15.083 1.00 0.00 N ATOM 288 CA GLN A 275 17.905 -18.835 -16.368 1.00 0.00 C ATOM 289 C GLN A 275 18.965 -18.526 -17.423 1.00 0.00 C ATOM 290 O GLN A 275 19.249 -17.361 -17.734 1.00 0.00 O ATOM 291 CB GLN A 275 16.961 -17.636 -16.180 1.00 0.00 C ATOM 292 CG GLN A 275 17.663 -16.485 -15.442 1.00 0.00 C ATOM 293 CD GLN A 275 16.641 -15.421 -15.057 1.00 0.00 C ATOM 294 OE1 GLN A 275 16.349 -15.238 -13.875 1.00 0.00 O ATOM 295 NE2 GLN A 275 16.078 -14.705 -15.991 1.00 0.00 N ATOM 0 H GLN A 275 19.336 -18.592 -14.800 1.00 0.00 H new ATOM 0 HA GLN A 275 17.296 -19.676 -16.700 1.00 0.00 H new ATOM 0 HB2 GLN A 275 16.612 -17.289 -17.153 1.00 0.00 H new ATOM 0 HB3 GLN A 275 16.080 -17.948 -15.618 1.00 0.00 H new ATOM 0 HG2 GLN A 275 18.162 -16.863 -14.550 1.00 0.00 H new ATOM 0 HG3 GLN A 275 18.434 -16.049 -16.078 1.00 0.00 H new ATOM 0 HE21 GLN A 275 16.322 -14.859 -16.969 1.00 0.00 H new ATOM 0 HE22 GLN A 275 15.393 -13.991 -15.743 1.00 0.00 H new ATOM 304 N ASP A 276 19.551 -19.555 -17.975 1.00 0.00 N ATOM 305 CA ASP A 276 20.603 -19.372 -19.022 1.00 0.00 C ATOM 306 C ASP A 276 20.587 -20.564 -19.979 1.00 0.00 C ATOM 307 O ASP A 276 21.290 -21.560 -19.762 1.00 0.00 O ATOM 308 CB ASP A 276 21.981 -19.234 -18.365 1.00 0.00 C ATOM 309 CG ASP A 276 21.987 -18.040 -17.418 1.00 0.00 C ATOM 310 OD1 ASP A 276 21.759 -16.936 -17.886 1.00 0.00 O ATOM 311 OD2 ASP A 276 22.219 -18.246 -16.238 1.00 0.00 O ATOM 0 H ASP A 276 19.344 -20.527 -17.743 1.00 0.00 H new ATOM 0 HA ASP A 276 20.396 -18.462 -19.585 1.00 0.00 H new ATOM 0 HB2 ASP A 276 22.225 -20.144 -17.818 1.00 0.00 H new ATOM 0 HB3 ASP A 276 22.747 -19.106 -19.130 1.00 0.00 H new ATOM 316 N THR A 277 19.803 -20.481 -21.029 1.00 0.00 N ATOM 317 CA THR A 277 19.729 -21.602 -22.024 1.00 0.00 C ATOM 318 C THR A 277 21.060 -21.708 -22.775 1.00 0.00 C ATOM 319 O THR A 277 21.486 -22.806 -23.144 1.00 0.00 O ATOM 320 CB THR A 277 18.573 -21.372 -23.014 1.00 0.00 C ATOM 321 OG1 THR A 277 18.557 -22.426 -23.966 1.00 0.00 O ATOM 322 CG2 THR A 277 18.741 -20.032 -23.744 1.00 0.00 C ATOM 0 H THR A 277 19.208 -19.681 -21.241 1.00 0.00 H new ATOM 0 HA THR A 277 19.540 -22.535 -21.493 1.00 0.00 H new ATOM 0 HB THR A 277 17.635 -21.351 -22.459 1.00 0.00 H new ATOM 0 HG1 THR A 277 17.821 -22.285 -24.598 1.00 0.00 H new ATOM 0 HG21 THR A 277 17.913 -19.890 -24.439 1.00 0.00 H new ATOM 0 HG22 THR A 277 18.748 -19.220 -23.017 1.00 0.00 H new ATOM 0 HG23 THR A 277 19.681 -20.033 -24.295 1.00 0.00 H new ATOM 330 N ASN A 278 21.714 -20.589 -23.005 1.00 0.00 N ATOM 331 CA ASN A 278 23.023 -20.592 -23.735 1.00 0.00 C ATOM 332 C ASN A 278 24.047 -21.441 -22.978 1.00 0.00 C ATOM 333 O ASN A 278 24.972 -21.988 -23.586 1.00 0.00 O ATOM 334 CB ASN A 278 23.548 -19.161 -23.876 1.00 0.00 C ATOM 335 CG ASN A 278 22.493 -18.281 -24.539 1.00 0.00 C ATOM 336 OD1 ASN A 278 21.883 -18.684 -25.530 1.00 0.00 O ATOM 337 ND2 ASN A 278 22.242 -17.099 -24.050 1.00 0.00 N ATOM 0 H ASN A 278 21.391 -19.666 -22.714 1.00 0.00 H new ATOM 0 HA ASN A 278 22.868 -21.018 -24.726 1.00 0.00 H new ATOM 0 HB2 ASN A 278 23.803 -18.760 -22.895 1.00 0.00 H new ATOM 0 HB3 ASN A 278 24.462 -19.157 -24.470 1.00 0.00 H new ATOM 0 HD21 ASN A 278 21.538 -16.505 -24.488 1.00 0.00 H new ATOM 0 HD22 ASN A 278 22.749 -16.768 -23.229 1.00 0.00 H new ATOM 344 N SER A 279 23.907 -21.559 -21.671 1.00 0.00 N ATOM 345 CA SER A 279 24.872 -22.370 -20.856 1.00 0.00 C ATOM 346 C SER A 279 25.014 -23.764 -21.461 1.00 0.00 C ATOM 347 O SER A 279 24.104 -24.247 -22.145 1.00 0.00 O ATOM 348 CB SER A 279 24.371 -22.485 -19.416 1.00 0.00 C ATOM 349 OG SER A 279 24.630 -21.266 -18.730 1.00 0.00 O ATOM 0 H SER A 279 23.158 -21.123 -21.133 1.00 0.00 H new ATOM 0 HA SER A 279 25.843 -21.874 -20.859 1.00 0.00 H new ATOM 0 HB2 SER A 279 23.303 -22.701 -19.407 1.00 0.00 H new ATOM 0 HB3 SER A 279 24.868 -23.313 -18.911 1.00 0.00 H new ATOM 0 HG SER A 279 24.309 -21.335 -17.807 1.00 0.00 H new ATOM 355 N LYS A 280 26.137 -24.410 -21.231 1.00 0.00 N ATOM 356 CA LYS A 280 26.366 -25.777 -21.794 1.00 0.00 C ATOM 357 C LYS A 280 26.734 -26.738 -20.667 1.00 0.00 C ATOM 358 O LYS A 280 27.292 -26.325 -19.644 1.00 0.00 O ATOM 359 CB LYS A 280 27.502 -25.742 -22.826 1.00 0.00 C ATOM 360 CG LYS A 280 27.121 -24.841 -24.022 1.00 0.00 C ATOM 361 CD LYS A 280 27.570 -23.395 -23.766 1.00 0.00 C ATOM 362 CE LYS A 280 27.400 -22.575 -25.046 1.00 0.00 C ATOM 363 NZ LYS A 280 28.359 -23.060 -26.078 1.00 0.00 N ATOM 0 H LYS A 280 26.908 -24.043 -20.673 1.00 0.00 H new ATOM 0 HA LYS A 280 25.452 -26.116 -22.282 1.00 0.00 H new ATOM 0 HB2 LYS A 280 28.414 -25.370 -22.359 1.00 0.00 H new ATOM 0 HB3 LYS A 280 27.713 -26.752 -23.177 1.00 0.00 H new ATOM 0 HG2 LYS A 280 27.587 -25.218 -24.932 1.00 0.00 H new ATOM 0 HG3 LYS A 280 26.043 -24.871 -24.180 1.00 0.00 H new ATOM 0 HD2 LYS A 280 26.981 -22.957 -22.960 1.00 0.00 H new ATOM 0 HD3 LYS A 280 28.612 -23.378 -23.446 1.00 0.00 H new ATOM 0 HE2 LYS A 280 26.378 -22.663 -25.414 1.00 0.00 H new ATOM 0 HE3 LYS A 280 27.574 -21.519 -24.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 28.925 -22.261 -26.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 28.989 -23.773 -25.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 27.833 -23.485 -26.868 1.00 0.00 H new ATOM 377 N LYS A 281 26.439 -28.007 -20.841 1.00 0.00 N ATOM 378 CA LYS A 281 26.767 -29.027 -19.797 1.00 0.00 C ATOM 379 C LYS A 281 27.415 -30.236 -20.465 1.00 0.00 C ATOM 380 O LYS A 281 27.095 -30.564 -21.612 1.00 0.00 O ATOM 381 CB LYS A 281 25.496 -29.464 -19.063 1.00 0.00 C ATOM 382 CG LYS A 281 25.015 -28.334 -18.152 1.00 0.00 C ATOM 383 CD LYS A 281 23.747 -28.777 -17.418 1.00 0.00 C ATOM 384 CE LYS A 281 23.379 -27.739 -16.356 1.00 0.00 C ATOM 385 NZ LYS A 281 22.948 -26.476 -17.020 1.00 0.00 N ATOM 0 H LYS A 281 25.980 -28.381 -21.672 1.00 0.00 H new ATOM 0 HA LYS A 281 27.455 -28.591 -19.073 1.00 0.00 H new ATOM 0 HB2 LYS A 281 24.718 -29.720 -19.783 1.00 0.00 H new ATOM 0 HB3 LYS A 281 25.694 -30.360 -18.474 1.00 0.00 H new ATOM 0 HG2 LYS A 281 25.793 -28.075 -17.433 1.00 0.00 H new ATOM 0 HG3 LYS A 281 24.814 -27.439 -18.740 1.00 0.00 H new ATOM 0 HD2 LYS A 281 22.927 -28.894 -18.126 1.00 0.00 H new ATOM 0 HD3 LYS A 281 23.906 -29.749 -16.951 1.00 0.00 H new ATOM 0 HE2 LYS A 281 22.578 -28.120 -15.722 1.00 0.00 H new ATOM 0 HE3 LYS A 281 24.234 -27.548 -15.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 22.540 -25.833 -16.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 23.769 -26.021 -17.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 22.234 -26.691 -17.745 1.00 0.00 H new ATOM 399 N GLN A 282 28.315 -30.901 -19.772 1.00 0.00 N ATOM 400 CA GLN A 282 29.000 -32.102 -20.351 1.00 0.00 C ATOM 401 C GLN A 282 28.820 -33.292 -19.412 1.00 0.00 C ATOM 402 O GLN A 282 28.809 -33.130 -18.187 1.00 0.00 O ATOM 403 CB GLN A 282 30.500 -31.824 -20.569 1.00 0.00 C ATOM 404 CG GLN A 282 31.166 -31.357 -19.265 1.00 0.00 C ATOM 405 CD GLN A 282 30.964 -29.857 -19.085 1.00 0.00 C ATOM 406 OE1 GLN A 282 30.411 -29.421 -18.075 1.00 0.00 O ATOM 407 NE2 GLN A 282 31.380 -29.035 -20.010 1.00 0.00 N ATOM 0 H GLN A 282 28.605 -30.660 -18.824 1.00 0.00 H new ATOM 0 HA GLN A 282 28.552 -32.329 -21.318 1.00 0.00 H new ATOM 0 HB2 GLN A 282 30.992 -32.727 -20.931 1.00 0.00 H new ATOM 0 HB3 GLN A 282 30.625 -31.063 -21.339 1.00 0.00 H new ATOM 0 HG2 GLN A 282 30.741 -31.894 -18.417 1.00 0.00 H new ATOM 0 HG3 GLN A 282 32.231 -31.589 -19.287 1.00 0.00 H new ATOM 0 HE21 GLN A 282 31.838 -29.398 -20.846 1.00 0.00 H new ATOM 0 HE22 GLN A 282 31.247 -28.030 -19.897 1.00 0.00 H new ATOM 416 N SER A 283 28.675 -34.478 -19.965 1.00 0.00 N ATOM 417 CA SER A 283 28.489 -35.701 -19.123 1.00 0.00 C ATOM 418 C SER A 283 29.379 -36.822 -19.654 1.00 0.00 C ATOM 419 O SER A 283 30.056 -36.657 -20.674 1.00 0.00 O ATOM 420 CB SER A 283 27.026 -36.144 -19.152 1.00 0.00 C ATOM 421 OG SER A 283 26.662 -36.480 -20.485 1.00 0.00 O ATOM 0 H SER A 283 28.678 -34.648 -20.971 1.00 0.00 H new ATOM 0 HA SER A 283 28.765 -35.472 -18.094 1.00 0.00 H new ATOM 0 HB2 SER A 283 26.881 -37.002 -18.496 1.00 0.00 H new ATOM 0 HB3 SER A 283 26.385 -35.346 -18.778 1.00 0.00 H new ATOM 0 HG SER A 283 25.725 -36.766 -20.506 1.00 0.00 H new ATOM 427 N ASP A 284 29.392 -37.951 -18.978 1.00 0.00 N ATOM 428 CA ASP A 284 30.239 -39.104 -19.420 1.00 0.00 C ATOM 429 C ASP A 284 29.846 -39.510 -20.836 1.00 0.00 C ATOM 430 O ASP A 284 30.689 -39.535 -21.739 1.00 0.00 O ATOM 431 CB ASP A 284 30.044 -40.291 -18.475 1.00 0.00 C ATOM 432 CG ASP A 284 30.532 -39.933 -17.076 1.00 0.00 C ATOM 433 OD1 ASP A 284 29.755 -40.074 -16.145 1.00 0.00 O ATOM 434 OD2 ASP A 284 31.674 -39.522 -16.954 1.00 0.00 O ATOM 0 H ASP A 284 28.847 -38.121 -18.133 1.00 0.00 H new ATOM 0 HA ASP A 284 31.287 -38.804 -19.403 1.00 0.00 H new ATOM 0 HB2 ASP A 284 28.991 -40.569 -18.441 1.00 0.00 H new ATOM 0 HB3 ASP A 284 30.591 -41.157 -18.849 1.00 0.00 H new ATOM 439 N THR A 285 28.587 -39.828 -21.044 1.00 0.00 N ATOM 440 CA THR A 285 28.112 -40.239 -22.401 1.00 0.00 C ATOM 441 C THR A 285 28.204 -39.042 -23.345 1.00 0.00 C ATOM 442 O THR A 285 28.664 -37.968 -22.948 1.00 0.00 O ATOM 443 CB THR A 285 26.666 -40.740 -22.323 1.00 0.00 C ATOM 444 OG1 THR A 285 25.883 -39.809 -21.590 1.00 0.00 O ATOM 445 CG2 THR A 285 26.633 -42.101 -21.625 1.00 0.00 C ATOM 0 H THR A 285 27.865 -39.819 -20.323 1.00 0.00 H new ATOM 0 HA THR A 285 28.738 -41.048 -22.777 1.00 0.00 H new ATOM 0 HB THR A 285 26.261 -40.841 -23.330 1.00 0.00 H new ATOM 0 HG1 THR A 285 24.957 -40.127 -21.541 1.00 0.00 H new ATOM 0 HG21 THR A 285 25.604 -42.457 -21.570 1.00 0.00 H new ATOM 0 HG22 THR A 285 27.234 -42.814 -22.190 1.00 0.00 H new ATOM 0 HG23 THR A 285 27.038 -42.003 -20.618 1.00 0.00 H new