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 Single : A 263 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 266 MET CE :methyl 157:sc= -0.177 (180deg=-0.917) USER MOD Single : A 267 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 270 LYS NZ :NH3+ -164:sc=-0.00978 (180deg=-0.288) USER MOD Single : A 271 LYS NZ :NH3+ -149:sc= -0.808 (180deg=-2.67!) USER MOD Single : A 272 CYS SG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.11) USER MOD Single : A 277 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 278 ASN : amide:sc= -0.0148 K(o=-0.015,f=-0.7) USER MOD Single : A 279 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 134:sc= -1.12 (180deg=-3.6!) USER MOD Single : A 282 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.12) USER MOD Single : A 283 SER OG : rot 180:sc= 0 USER MOD Single : A 285 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N PRO A 259 -11.745 -19.298 2.464 1.00 0.00 N ATOM 11 CA PRO A 259 -10.934 -19.181 3.718 1.00 0.00 C ATOM 12 C PRO A 259 -9.608 -19.937 3.629 1.00 0.00 C ATOM 13 O PRO A 259 -8.550 -19.388 3.950 1.00 0.00 O ATOM 14 CB PRO A 259 -11.855 -19.795 4.779 1.00 0.00 C ATOM 15 CG PRO A 259 -13.237 -20.026 4.163 1.00 0.00 C ATOM 16 CD PRO A 259 -13.146 -19.807 2.651 1.00 0.00 C ATOM 0 HA PRO A 259 -10.644 -18.153 3.933 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -11.440 -20.737 5.138 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -11.932 -19.132 5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -13.582 -21.038 4.378 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -13.964 -19.342 4.600 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -13.316 -20.731 2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -13.886 -19.087 2.303 1.00 0.00 H new ATOM 24 N ARG A 260 -9.654 -21.183 3.211 1.00 0.00 N ATOM 25 CA ARG A 260 -8.411 -22.008 3.099 1.00 0.00 C ATOM 26 C ARG A 260 -7.421 -21.331 2.140 1.00 0.00 C ATOM 27 O ARG A 260 -7.606 -20.167 1.767 1.00 0.00 O ATOM 28 CB ARG A 260 -8.773 -23.445 2.641 1.00 0.00 C ATOM 29 CG ARG A 260 -9.208 -23.502 1.151 1.00 0.00 C ATOM 30 CD ARG A 260 -10.732 -23.421 1.015 1.00 0.00 C ATOM 31 NE ARG A 260 -11.115 -23.399 -0.436 1.00 0.00 N ATOM 32 CZ ARG A 260 -12.354 -23.641 -0.840 1.00 0.00 C ATOM 33 NH1 ARG A 260 -12.624 -23.600 -2.115 1.00 0.00 N ATOM 34 NH2 ARG A 260 -13.320 -23.922 0.008 1.00 0.00 N ATOM 0 H ARG A 260 -10.511 -21.666 2.940 1.00 0.00 H new ATOM 0 HA ARG A 260 -7.927 -22.084 4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -7.913 -24.098 2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -9.578 -23.830 3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -8.747 -22.680 0.603 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -8.849 -24.427 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -11.196 -24.274 1.510 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -11.103 -22.524 1.512 1.00 0.00 H new ATOM 0 HE ARG A 260 -10.400 -23.191 -1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -11.887 -23.384 -2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -13.573 -23.784 -2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -13.126 -23.958 1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -14.263 -24.103 -0.335 1.00 0.00 H new ATOM 48 N LEU A 261 -6.386 -22.040 1.727 1.00 0.00 N ATOM 49 CA LEU A 261 -5.384 -21.455 0.782 1.00 0.00 C ATOM 50 C LEU A 261 -5.498 -22.158 -0.566 1.00 0.00 C ATOM 51 O LEU A 261 -6.069 -23.250 -0.654 1.00 0.00 O ATOM 52 CB LEU A 261 -3.954 -21.602 1.342 1.00 0.00 C ATOM 53 CG LEU A 261 -3.611 -23.086 1.628 1.00 0.00 C ATOM 54 CD1 LEU A 261 -3.114 -23.783 0.344 1.00 0.00 C ATOM 55 CD2 LEU A 261 -2.512 -23.159 2.700 1.00 0.00 C ATOM 0 H LEU A 261 -6.198 -23.002 2.009 1.00 0.00 H new ATOM 0 HA LEU A 261 -5.589 -20.392 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -3.238 -21.192 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -3.859 -21.021 2.259 1.00 0.00 H new ATOM 0 HG LEU A 261 -4.510 -23.591 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -2.878 -24.824 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -3.892 -23.740 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -2.220 -23.277 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -2.270 -24.202 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -1.621 -22.642 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -2.865 -22.684 3.616 1.00 0.00 H new ATOM 67 N ARG A 262 -4.958 -21.562 -1.606 1.00 0.00 N ATOM 68 CA ARG A 262 -5.011 -22.191 -2.964 1.00 0.00 C ATOM 69 C ARG A 262 -3.583 -22.518 -3.404 1.00 0.00 C ATOM 70 O ARG A 262 -2.638 -22.336 -2.629 1.00 0.00 O ATOM 71 CB ARG A 262 -5.688 -21.234 -3.962 1.00 0.00 C ATOM 72 CG ARG A 262 -6.316 -22.025 -5.142 1.00 0.00 C ATOM 73 CD ARG A 262 -7.642 -21.390 -5.604 1.00 0.00 C ATOM 74 NE ARG A 262 -8.802 -22.202 -5.104 1.00 0.00 N ATOM 75 CZ ARG A 262 -10.044 -21.738 -5.121 1.00 0.00 C ATOM 76 NH1 ARG A 262 -11.010 -22.496 -4.683 1.00 0.00 N ATOM 77 NH2 ARG A 262 -10.330 -20.533 -5.566 1.00 0.00 N ATOM 0 H ARG A 262 -4.480 -20.661 -1.570 1.00 0.00 H new ATOM 0 HA ARG A 262 -5.598 -23.109 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -6.460 -20.657 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -4.957 -20.522 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -5.615 -22.054 -5.976 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -6.492 -23.057 -4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -7.715 -20.368 -5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -7.668 -21.335 -6.692 1.00 0.00 H new ATOM 0 HE ARG A 262 -8.629 -23.139 -4.740 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -10.805 -23.432 -4.334 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -11.971 -22.153 -4.690 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -9.586 -19.927 -5.911 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -11.296 -20.205 -5.566 1.00 0.00 H new ATOM 91 N LYS A 263 -3.408 -23.009 -4.614 1.00 0.00 N ATOM 92 CA LYS A 263 -2.047 -23.369 -5.117 1.00 0.00 C ATOM 93 C LYS A 263 -1.104 -22.168 -4.986 1.00 0.00 C ATOM 94 O LYS A 263 -1.495 -21.110 -4.481 1.00 0.00 O ATOM 95 CB LYS A 263 -2.133 -23.835 -6.581 1.00 0.00 C ATOM 96 CG LYS A 263 -2.735 -22.730 -7.463 1.00 0.00 C ATOM 97 CD LYS A 263 -2.753 -23.178 -8.929 1.00 0.00 C ATOM 98 CE LYS A 263 -1.334 -23.134 -9.505 1.00 0.00 C ATOM 99 NZ LYS A 263 -1.385 -23.356 -10.978 1.00 0.00 N ATOM 0 H LYS A 263 -4.164 -23.176 -5.279 1.00 0.00 H new ATOM 0 HA LYS A 263 -1.649 -24.187 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -1.139 -24.097 -6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -2.745 -24.735 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -3.748 -22.501 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -2.152 -21.815 -7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -3.154 -24.189 -9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -3.410 -22.530 -9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -0.872 -22.171 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 263 -0.715 -23.897 -9.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 -0.421 -23.326 -11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -1.809 -24.285 -11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -1.961 -22.612 -11.421 1.00 0.00 H new ATOM 113 N GLY A 264 0.126 -22.323 -5.422 1.00 0.00 N ATOM 114 CA GLY A 264 1.128 -21.218 -5.324 1.00 0.00 C ATOM 115 C GLY A 264 2.014 -21.436 -4.095 1.00 0.00 C ATOM 116 O GLY A 264 2.520 -20.472 -3.511 1.00 0.00 O ATOM 0 H GLY A 264 0.479 -23.180 -5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 264 1.740 -21.188 -6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 264 0.619 -20.257 -5.252 1.00 0.00 H new ATOM 120 N ARG A 265 2.206 -22.681 -3.691 1.00 0.00 N ATOM 121 CA ARG A 265 3.055 -22.977 -2.496 1.00 0.00 C ATOM 122 C ARG A 265 4.495 -22.569 -2.781 1.00 0.00 C ATOM 123 O ARG A 265 4.823 -22.154 -3.897 1.00 0.00 O ATOM 124 CB ARG A 265 3.003 -24.471 -2.162 1.00 0.00 C ATOM 125 CG ARG A 265 1.649 -24.814 -1.538 1.00 0.00 C ATOM 126 CD ARG A 265 1.672 -26.258 -1.031 1.00 0.00 C ATOM 127 NE ARG A 265 1.683 -27.216 -2.186 1.00 0.00 N ATOM 128 CZ ARG A 265 1.993 -28.496 -2.034 1.00 0.00 C ATOM 129 NH1 ARG A 265 1.976 -29.280 -3.077 1.00 0.00 N ATOM 130 NH2 ARG A 265 2.322 -28.998 -0.863 1.00 0.00 N ATOM 0 H ARG A 265 1.806 -23.502 -4.145 1.00 0.00 H new ATOM 0 HA ARG A 265 2.674 -22.412 -1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 265 3.158 -25.061 -3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 265 3.807 -24.727 -1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 265 1.432 -24.132 -0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 265 0.855 -24.688 -2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 265 2.553 -26.418 -0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 265 0.800 -26.444 -0.404 1.00 0.00 H new ATOM 0 HE ARG A 265 1.445 -26.872 -3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 265 1.727 -28.906 -3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 265 2.212 -30.267 -2.977 1.00 0.00 H new ATOM 0 HH21 ARG A 265 2.344 -28.398 -0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 265 2.555 -29.987 -0.780 1.00 0.00 H new ATOM 144 N MET A 266 5.352 -22.676 -1.791 1.00 0.00 N ATOM 145 CA MET A 266 6.788 -22.298 -1.966 1.00 0.00 C ATOM 146 C MET A 266 7.398 -23.107 -3.108 1.00 0.00 C ATOM 147 O MET A 266 7.275 -24.335 -3.150 1.00 0.00 O ATOM 148 CB MET A 266 7.560 -22.572 -0.674 1.00 0.00 C ATOM 149 CG MET A 266 7.067 -21.630 0.426 1.00 0.00 C ATOM 150 SD MET A 266 7.832 -22.087 2.003 1.00 0.00 S ATOM 151 CE MET A 266 9.510 -21.532 1.614 1.00 0.00 C ATOM 0 H MET A 266 5.112 -23.014 -0.859 1.00 0.00 H new ATOM 0 HA MET A 266 6.850 -21.236 -2.202 1.00 0.00 H new ATOM 0 HB2 MET A 266 7.421 -23.609 -0.368 1.00 0.00 H new ATOM 0 HB3 MET A 266 8.628 -22.428 -0.839 1.00 0.00 H new ATOM 0 HG2 MET A 266 7.316 -20.599 0.175 1.00 0.00 H new ATOM 0 HG3 MET A 266 5.981 -21.685 0.507 1.00 0.00 H new ATOM 0 HE1 MET A 266 10.052 -21.335 2.539 1.00 0.00 H new ATOM 0 HE2 MET A 266 10.028 -22.307 1.049 1.00 0.00 H new ATOM 0 HE3 MET A 266 9.463 -20.620 1.020 1.00 0.00 H new ATOM 161 N MET A 267 8.060 -22.437 -4.024 1.00 0.00 N ATOM 162 CA MET A 267 8.710 -23.130 -5.182 1.00 0.00 C ATOM 163 C MET A 267 10.182 -22.691 -5.214 1.00 0.00 C ATOM 164 O MET A 267 10.733 -22.344 -4.164 1.00 0.00 O ATOM 165 CB MET A 267 7.985 -22.762 -6.494 1.00 0.00 C ATOM 166 CG MET A 267 6.502 -23.148 -6.411 1.00 0.00 C ATOM 167 SD MET A 267 5.827 -23.313 -8.084 1.00 0.00 S ATOM 168 CE MET A 267 5.513 -21.555 -8.383 1.00 0.00 C ATOM 0 H MET A 267 8.178 -21.424 -4.017 1.00 0.00 H new ATOM 0 HA MET A 267 8.650 -24.213 -5.075 1.00 0.00 H new ATOM 0 HB2 MET A 267 8.079 -21.692 -6.682 1.00 0.00 H new ATOM 0 HB3 MET A 267 8.455 -23.275 -7.333 1.00 0.00 H new ATOM 0 HG2 MET A 267 6.389 -24.086 -5.868 1.00 0.00 H new ATOM 0 HG3 MET A 267 5.948 -22.390 -5.857 1.00 0.00 H new ATOM 0 HE1 MET A 267 5.087 -21.426 -9.378 1.00 0.00 H new ATOM 0 HE2 MET A 267 4.813 -21.178 -7.637 1.00 0.00 H new ATOM 0 HE3 MET A 267 6.449 -21.001 -8.314 1.00 0.00 H new ATOM 178 N ASP A 268 10.830 -22.684 -6.371 1.00 0.00 N ATOM 179 CA ASP A 268 12.260 -22.241 -6.442 1.00 0.00 C ATOM 180 C ASP A 268 12.333 -20.799 -5.950 1.00 0.00 C ATOM 181 O ASP A 268 12.084 -19.858 -6.714 1.00 0.00 O ATOM 182 CB ASP A 268 12.773 -22.320 -7.881 1.00 0.00 C ATOM 183 CG ASP A 268 12.744 -23.763 -8.377 1.00 0.00 C ATOM 184 OD1 ASP A 268 13.183 -24.631 -7.641 1.00 0.00 O ATOM 185 OD2 ASP A 268 12.283 -23.978 -9.486 1.00 0.00 O ATOM 0 H ASP A 268 10.423 -22.967 -7.263 1.00 0.00 H new ATOM 0 HA ASP A 268 12.879 -22.890 -5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 268 12.159 -21.694 -8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 268 13.790 -21.931 -7.933 1.00 0.00 H new ATOM 190 N VAL A 269 12.637 -20.611 -4.688 1.00 0.00 N ATOM 191 CA VAL A 269 12.704 -19.229 -4.115 1.00 0.00 C ATOM 192 C VAL A 269 13.979 -19.081 -3.275 1.00 0.00 C ATOM 193 O VAL A 269 14.598 -18.013 -3.246 1.00 0.00 O ATOM 194 CB VAL A 269 11.447 -18.957 -3.259 1.00 0.00 C ATOM 195 CG1 VAL A 269 10.187 -19.119 -4.123 1.00 0.00 C ATOM 196 CG2 VAL A 269 11.370 -19.949 -2.089 1.00 0.00 C ATOM 0 H VAL A 269 12.843 -21.360 -4.027 1.00 0.00 H new ATOM 0 HA VAL A 269 12.735 -18.498 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 269 11.509 -17.941 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.302 -18.926 -3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 269 10.220 -18.411 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 269 10.143 -20.135 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 269 10.479 -19.744 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.321 -20.966 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 269 12.255 -19.842 -1.462 1.00 0.00 H new ATOM 206 N LYS A 270 14.371 -20.138 -2.600 1.00 0.00 N ATOM 207 CA LYS A 270 15.608 -20.107 -1.749 1.00 0.00 C ATOM 208 C LYS A 270 16.860 -20.342 -2.607 1.00 0.00 C ATOM 209 O LYS A 270 17.983 -20.142 -2.131 1.00 0.00 O ATOM 210 CB LYS A 270 15.531 -21.196 -0.673 1.00 0.00 C ATOM 211 CG LYS A 270 14.405 -20.876 0.312 1.00 0.00 C ATOM 212 CD LYS A 270 14.317 -21.989 1.362 1.00 0.00 C ATOM 213 CE LYS A 270 13.182 -21.685 2.341 1.00 0.00 C ATOM 214 NZ LYS A 270 13.541 -20.496 3.164 1.00 0.00 N ATOM 0 H LYS A 270 13.880 -21.032 -2.602 1.00 0.00 H new ATOM 0 HA LYS A 270 15.673 -19.126 -1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 270 15.355 -22.166 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 270 16.481 -21.264 -0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 270 14.592 -19.918 0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 270 13.457 -20.785 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 270 14.143 -22.949 0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 270 15.262 -22.071 1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 270 12.257 -21.497 1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 270 13.003 -22.546 2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 12.918 -20.448 3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 14.530 -20.576 3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 13.427 -19.633 2.595 1.00 0.00 H new ATOM 228 N LYS A 271 16.697 -20.773 -3.844 1.00 0.00 N ATOM 229 CA LYS A 271 17.875 -21.039 -4.730 1.00 0.00 C ATOM 230 C LYS A 271 18.124 -19.823 -5.634 1.00 0.00 C ATOM 231 O LYS A 271 17.569 -18.745 -5.398 1.00 0.00 O ATOM 232 CB LYS A 271 17.634 -22.311 -5.568 1.00 0.00 C ATOM 233 CG LYS A 271 16.339 -22.180 -6.383 1.00 0.00 C ATOM 234 CD LYS A 271 16.202 -23.381 -7.330 1.00 0.00 C ATOM 235 CE LYS A 271 17.119 -23.194 -8.541 1.00 0.00 C ATOM 236 NZ LYS A 271 16.967 -24.356 -9.461 1.00 0.00 N ATOM 0 H LYS A 271 15.790 -20.951 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 271 18.761 -21.203 -4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 271 18.477 -22.477 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 271 17.572 -23.179 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 271 15.480 -22.132 -5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 271 16.350 -21.252 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 271 16.460 -24.301 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 271 15.167 -23.481 -7.658 1.00 0.00 H new ATOM 0 HE2 LYS A 271 16.869 -22.269 -9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 271 18.156 -23.107 -8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 17.866 -24.528 -9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 16.705 -25.200 -8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 16.223 -24.151 -10.159 1.00 0.00 H new ATOM 250 N CYS A 272 18.954 -19.973 -6.648 1.00 0.00 N ATOM 251 CA CYS A 272 19.265 -18.837 -7.571 1.00 0.00 C ATOM 252 C CYS A 272 18.010 -18.423 -8.332 1.00 0.00 C ATOM 253 O CYS A 272 17.823 -17.236 -8.628 1.00 0.00 O ATOM 254 CB CYS A 272 20.347 -19.259 -8.569 1.00 0.00 C ATOM 255 SG CYS A 272 21.980 -18.963 -7.845 1.00 0.00 S ATOM 0 H CYS A 272 19.431 -20.846 -6.873 1.00 0.00 H new ATOM 0 HA CYS A 272 19.623 -17.993 -6.981 1.00 0.00 H new ATOM 0 HB2 CYS A 272 20.234 -20.314 -8.821 1.00 0.00 H new ATOM 0 HB3 CYS A 272 20.241 -18.697 -9.497 1.00 0.00 H new ATOM 0 HG CYS A 272 22.901 -19.323 -8.689 1.00 0.00 H new ATOM 261 N GLY A 273 17.158 -19.367 -8.665 1.00 0.00 N ATOM 262 CA GLY A 273 15.915 -19.038 -9.426 1.00 0.00 C ATOM 263 C GLY A 273 16.210 -19.175 -10.914 1.00 0.00 C ATOM 264 O GLY A 273 16.240 -18.185 -11.650 1.00 0.00 O ATOM 0 H GLY A 273 17.274 -20.355 -8.439 1.00 0.00 H new ATOM 0 HA2 GLY A 273 15.105 -19.708 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 273 15.587 -18.024 -9.196 1.00 0.00 H new ATOM 268 N ILE A 274 16.435 -20.387 -11.354 1.00 0.00 N ATOM 269 CA ILE A 274 16.747 -20.654 -12.798 1.00 0.00 C ATOM 270 C ILE A 274 15.621 -20.073 -13.654 1.00 0.00 C ATOM 271 O ILE A 274 14.446 -20.144 -13.276 1.00 0.00 O ATOM 272 CB ILE A 274 16.869 -22.172 -13.061 1.00 0.00 C ATOM 273 CG1 ILE A 274 17.856 -22.836 -12.050 1.00 0.00 C ATOM 274 CG2 ILE A 274 17.335 -22.415 -14.509 1.00 0.00 C ATOM 275 CD1 ILE A 274 19.315 -22.372 -12.246 1.00 0.00 C ATOM 0 H ILE A 274 16.416 -21.220 -10.765 1.00 0.00 H new ATOM 0 HA ILE A 274 17.698 -20.187 -13.053 1.00 0.00 H new ATOM 0 HB ILE A 274 15.889 -22.629 -12.921 1.00 0.00 H new ATOM 0 HG12 ILE A 274 17.539 -22.603 -11.033 1.00 0.00 H new ATOM 0 HG13 ILE A 274 17.806 -23.919 -12.159 1.00 0.00 H new ATOM 0 HG21 ILE A 274 17.419 -23.487 -14.689 1.00 0.00 H new ATOM 0 HG22 ILE A 274 16.610 -21.987 -15.201 1.00 0.00 H new ATOM 0 HG23 ILE A 274 18.306 -21.944 -14.663 1.00 0.00 H new ATOM 0 HD11 ILE A 274 19.955 -22.867 -11.516 1.00 0.00 H new ATOM 0 HD12 ILE A 274 19.646 -22.629 -13.252 1.00 0.00 H new ATOM 0 HD13 ILE A 274 19.375 -21.292 -12.109 1.00 0.00 H new ATOM 287 N GLN A 275 15.958 -19.499 -14.788 1.00 0.00 N ATOM 288 CA GLN A 275 14.921 -18.898 -15.683 1.00 0.00 C ATOM 289 C GLN A 275 15.015 -19.537 -17.064 1.00 0.00 C ATOM 290 O GLN A 275 16.067 -20.060 -17.447 1.00 0.00 O ATOM 291 CB GLN A 275 15.136 -17.386 -15.792 1.00 0.00 C ATOM 292 CG GLN A 275 13.915 -16.742 -16.452 1.00 0.00 C ATOM 293 CD GLN A 275 14.042 -15.223 -16.413 1.00 0.00 C ATOM 294 OE1 GLN A 275 14.215 -14.641 -15.342 1.00 0.00 O ATOM 295 NE2 GLN A 275 13.968 -14.542 -17.524 1.00 0.00 N ATOM 0 H GLN A 275 16.915 -19.422 -15.132 1.00 0.00 H new ATOM 0 HA GLN A 275 13.932 -19.082 -15.264 1.00 0.00 H new ATOM 0 HB2 GLN A 275 15.295 -16.959 -14.802 1.00 0.00 H new ATOM 0 HB3 GLN A 275 16.031 -17.177 -16.377 1.00 0.00 H new ATOM 0 HG2 GLN A 275 13.828 -17.082 -17.484 1.00 0.00 H new ATOM 0 HG3 GLN A 275 13.006 -17.053 -15.936 1.00 0.00 H new ATOM 0 HE21 GLN A 275 13.825 -15.026 -18.410 1.00 0.00 H new ATOM 0 HE22 GLN A 275 14.054 -13.526 -17.506 1.00 0.00 H new ATOM 304 N ASP A 276 13.934 -19.506 -17.813 1.00 0.00 N ATOM 305 CA ASP A 276 13.926 -20.110 -19.182 1.00 0.00 C ATOM 306 C ASP A 276 14.438 -19.076 -20.192 1.00 0.00 C ATOM 307 O ASP A 276 13.828 -18.850 -21.247 1.00 0.00 O ATOM 308 CB ASP A 276 12.502 -20.563 -19.538 1.00 0.00 C ATOM 309 CG ASP A 276 12.038 -21.642 -18.566 1.00 0.00 C ATOM 310 OD1 ASP A 276 12.804 -22.558 -18.315 1.00 0.00 O ATOM 311 OD2 ASP A 276 10.921 -21.537 -18.085 1.00 0.00 O ATOM 0 H ASP A 276 13.050 -19.083 -17.529 1.00 0.00 H new ATOM 0 HA ASP A 276 14.580 -20.981 -19.209 1.00 0.00 H new ATOM 0 HB2 ASP A 276 11.821 -19.712 -19.501 1.00 0.00 H new ATOM 0 HB3 ASP A 276 12.478 -20.947 -20.558 1.00 0.00 H new ATOM 316 N THR A 277 15.552 -18.446 -19.886 1.00 0.00 N ATOM 317 CA THR A 277 16.132 -17.420 -20.807 1.00 0.00 C ATOM 318 C THR A 277 16.845 -18.121 -21.959 1.00 0.00 C ATOM 319 O THR A 277 16.520 -17.894 -23.129 1.00 0.00 O ATOM 320 CB THR A 277 17.124 -16.536 -20.048 1.00 0.00 C ATOM 321 OG1 THR A 277 18.067 -17.356 -19.373 1.00 0.00 O ATOM 322 CG2 THR A 277 16.368 -15.679 -19.030 1.00 0.00 C ATOM 0 H THR A 277 16.085 -18.603 -19.031 1.00 0.00 H new ATOM 0 HA THR A 277 15.330 -16.795 -21.200 1.00 0.00 H new ATOM 0 HB THR A 277 17.646 -15.887 -20.751 1.00 0.00 H new ATOM 0 HG1 THR A 277 18.704 -16.791 -18.888 1.00 0.00 H new ATOM 0 HG21 THR A 277 17.074 -15.049 -18.489 1.00 0.00 H new ATOM 0 HG22 THR A 277 15.645 -15.050 -19.549 1.00 0.00 H new ATOM 0 HG23 THR A 277 15.846 -16.327 -18.326 1.00 0.00 H new ATOM 330 N ASN A 278 17.805 -18.965 -21.648 1.00 0.00 N ATOM 331 CA ASN A 278 18.560 -19.699 -22.713 1.00 0.00 C ATOM 332 C ASN A 278 18.494 -21.195 -22.431 1.00 0.00 C ATOM 333 O ASN A 278 18.074 -21.978 -23.290 1.00 0.00 O ATOM 334 CB ASN A 278 20.019 -19.239 -22.736 1.00 0.00 C ATOM 335 CG ASN A 278 20.099 -17.781 -23.171 1.00 0.00 C ATOM 336 OD1 ASN A 278 19.402 -17.370 -24.098 1.00 0.00 O ATOM 337 ND2 ASN A 278 20.912 -16.970 -22.553 1.00 0.00 N ATOM 0 H ASN A 278 18.098 -19.176 -20.694 1.00 0.00 H new ATOM 0 HA ASN A 278 18.112 -19.488 -23.684 1.00 0.00 H new ATOM 0 HB2 ASN A 278 20.462 -19.357 -21.747 1.00 0.00 H new ATOM 0 HB3 ASN A 278 20.595 -19.863 -23.419 1.00 0.00 H new ATOM 0 HD21 ASN A 278 20.971 -15.992 -22.838 1.00 0.00 H new ATOM 0 HD22 ASN A 278 21.489 -17.313 -21.785 1.00 0.00 H new ATOM 344 N SER A 279 18.893 -21.603 -21.246 1.00 0.00 N ATOM 345 CA SER A 279 18.861 -23.054 -20.873 1.00 0.00 C ATOM 346 C SER A 279 19.701 -23.857 -21.863 1.00 0.00 C ATOM 347 O SER A 279 19.238 -24.183 -22.960 1.00 0.00 O ATOM 348 CB SER A 279 17.418 -23.579 -20.873 1.00 0.00 C ATOM 349 OG SER A 279 16.524 -22.516 -20.562 1.00 0.00 O ATOM 0 H SER A 279 19.243 -20.984 -20.515 1.00 0.00 H new ATOM 0 HA SER A 279 19.272 -23.166 -19.870 1.00 0.00 H new ATOM 0 HB2 SER A 279 17.173 -24.000 -21.848 1.00 0.00 H new ATOM 0 HB3 SER A 279 17.312 -24.382 -20.144 1.00 0.00 H new ATOM 0 HG SER A 279 15.603 -22.852 -20.564 1.00 0.00 H new ATOM 355 N LYS A 280 20.919 -24.185 -21.490 1.00 0.00 N ATOM 356 CA LYS A 280 21.812 -24.980 -22.390 1.00 0.00 C ATOM 357 C LYS A 280 22.680 -25.903 -21.539 1.00 0.00 C ATOM 358 O LYS A 280 23.557 -25.437 -20.803 1.00 0.00 O ATOM 359 CB LYS A 280 22.702 -24.044 -23.214 1.00 0.00 C ATOM 360 CG LYS A 280 21.846 -23.273 -24.222 1.00 0.00 C ATOM 361 CD LYS A 280 22.743 -22.362 -25.064 1.00 0.00 C ATOM 362 CE LYS A 280 21.885 -21.575 -26.056 1.00 0.00 C ATOM 363 NZ LYS A 280 22.762 -20.691 -26.876 1.00 0.00 N ATOM 0 H LYS A 280 21.333 -23.932 -20.593 1.00 0.00 H new ATOM 0 HA LYS A 280 21.203 -25.572 -23.074 1.00 0.00 H new ATOM 0 HB2 LYS A 280 23.222 -23.348 -22.556 1.00 0.00 H new ATOM 0 HB3 LYS A 280 23.466 -24.620 -23.736 1.00 0.00 H new ATOM 0 HG2 LYS A 280 21.309 -23.969 -24.867 1.00 0.00 H new ATOM 0 HG3 LYS A 280 21.096 -22.680 -23.699 1.00 0.00 H new ATOM 0 HD2 LYS A 280 23.292 -21.677 -24.418 1.00 0.00 H new ATOM 0 HD3 LYS A 280 23.483 -22.957 -25.599 1.00 0.00 H new ATOM 0 HE2 LYS A 280 21.335 -22.260 -26.701 1.00 0.00 H new ATOM 0 HE3 LYS A 280 21.146 -20.978 -25.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 22.180 -20.155 -27.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 23.268 -20.029 -26.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 23.450 -21.271 -27.396 1.00 0.00 H new ATOM 377 N LYS A 281 22.450 -27.196 -21.622 1.00 0.00 N ATOM 378 CA LYS A 281 23.252 -28.175 -20.818 1.00 0.00 C ATOM 379 C LYS A 281 23.550 -29.412 -21.663 1.00 0.00 C ATOM 380 O LYS A 281 22.871 -29.669 -22.663 1.00 0.00 O ATOM 381 CB LYS A 281 22.493 -28.575 -19.539 1.00 0.00 C ATOM 382 CG LYS A 281 21.106 -29.138 -19.889 1.00 0.00 C ATOM 383 CD LYS A 281 20.229 -29.194 -18.631 1.00 0.00 C ATOM 384 CE LYS A 281 20.603 -30.415 -17.779 1.00 0.00 C ATOM 385 NZ LYS A 281 21.868 -30.145 -17.036 1.00 0.00 N ATOM 0 H LYS A 281 21.736 -27.616 -22.217 1.00 0.00 H new ATOM 0 HA LYS A 281 24.191 -27.705 -20.526 1.00 0.00 H new ATOM 0 HB2 LYS A 281 23.066 -29.320 -18.987 1.00 0.00 H new ATOM 0 HB3 LYS A 281 22.386 -27.708 -18.887 1.00 0.00 H new ATOM 0 HG2 LYS A 281 20.631 -28.513 -20.646 1.00 0.00 H new ATOM 0 HG3 LYS A 281 21.207 -30.136 -20.317 1.00 0.00 H new ATOM 0 HD2 LYS A 281 20.357 -28.282 -18.048 1.00 0.00 H new ATOM 0 HD3 LYS A 281 19.178 -29.247 -18.914 1.00 0.00 H new ATOM 0 HE2 LYS A 281 19.800 -30.640 -17.078 1.00 0.00 H new ATOM 0 HE3 LYS A 281 20.725 -31.291 -18.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 21.758 -30.441 -16.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 22.647 -30.678 -17.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 22.082 -29.128 -17.072 1.00 0.00 H new ATOM 399 N GLN A 282 24.551 -30.174 -21.279 1.00 0.00 N ATOM 400 CA GLN A 282 24.922 -31.405 -22.045 1.00 0.00 C ATOM 401 C GLN A 282 24.993 -32.591 -21.088 1.00 0.00 C ATOM 402 O GLN A 282 25.547 -32.479 -19.989 1.00 0.00 O ATOM 403 CB GLN A 282 26.278 -31.209 -22.728 1.00 0.00 C ATOM 404 CG GLN A 282 26.158 -30.134 -23.812 1.00 0.00 C ATOM 405 CD GLN A 282 25.444 -30.705 -25.031 1.00 0.00 C ATOM 406 OE1 GLN A 282 24.214 -30.721 -25.081 1.00 0.00 O ATOM 407 NE2 GLN A 282 26.147 -31.179 -26.023 1.00 0.00 N ATOM 0 H GLN A 282 25.130 -29.991 -20.460 1.00 0.00 H new ATOM 0 HA GLN A 282 24.168 -31.596 -22.809 1.00 0.00 H new ATOM 0 HB2 GLN A 282 27.028 -30.916 -21.993 1.00 0.00 H new ATOM 0 HB3 GLN A 282 26.613 -32.148 -23.169 1.00 0.00 H new ATOM 0 HG2 GLN A 282 25.608 -29.276 -23.426 1.00 0.00 H new ATOM 0 HG3 GLN A 282 27.149 -29.777 -24.094 1.00 0.00 H new ATOM 0 HE21 GLN A 282 27.166 -31.164 -25.979 1.00 0.00 H new ATOM 0 HE22 GLN A 282 25.678 -31.564 -26.843 1.00 0.00 H new ATOM 416 N SER A 283 24.447 -33.716 -21.486 1.00 0.00 N ATOM 417 CA SER A 283 24.468 -34.935 -20.617 1.00 0.00 C ATOM 418 C SER A 283 24.855 -36.142 -21.462 1.00 0.00 C ATOM 419 O SER A 283 24.951 -36.041 -22.690 1.00 0.00 O ATOM 420 CB SER A 283 23.088 -35.160 -19.997 1.00 0.00 C ATOM 421 OG SER A 283 22.088 -34.970 -20.990 1.00 0.00 O ATOM 0 H SER A 283 23.983 -33.842 -22.386 1.00 0.00 H new ATOM 0 HA SER A 283 25.195 -34.798 -19.816 1.00 0.00 H new ATOM 0 HB2 SER A 283 23.021 -36.167 -19.586 1.00 0.00 H new ATOM 0 HB3 SER A 283 22.931 -34.467 -19.170 1.00 0.00 H new ATOM 0 HG SER A 283 21.203 -35.115 -20.595 1.00 0.00 H new ATOM 427 N ASP A 284 25.066 -37.282 -20.834 1.00 0.00 N ATOM 428 CA ASP A 284 25.436 -38.519 -21.595 1.00 0.00 C ATOM 429 C ASP A 284 24.345 -38.803 -22.625 1.00 0.00 C ATOM 430 O ASP A 284 23.353 -38.078 -22.676 1.00 0.00 O ATOM 431 CB ASP A 284 25.576 -39.708 -20.640 1.00 0.00 C ATOM 432 CG ASP A 284 24.289 -39.895 -19.844 1.00 0.00 C ATOM 433 OD1 ASP A 284 23.653 -40.922 -20.016 1.00 0.00 O ATOM 434 OD2 ASP A 284 23.961 -39.009 -19.072 1.00 0.00 O ATOM 0 H ASP A 284 24.997 -37.405 -19.824 1.00 0.00 H new ATOM 0 HA ASP A 284 26.392 -38.368 -22.097 1.00 0.00 H new ATOM 0 HB2 ASP A 284 25.798 -40.614 -21.204 1.00 0.00 H new ATOM 0 HB3 ASP A 284 26.412 -39.542 -19.961 1.00 0.00 H new ATOM 439 N THR A 285 24.520 -39.841 -23.432 1.00 0.00 N ATOM 440 CA THR A 285 23.523 -40.236 -24.510 1.00 0.00 C ATOM 441 C THR A 285 22.548 -39.090 -24.848 1.00 0.00 C ATOM 442 O THR A 285 21.393 -39.077 -24.402 1.00 0.00 O ATOM 443 CB THR A 285 22.743 -41.476 -24.049 1.00 0.00 C ATOM 444 OG1 THR A 285 23.656 -42.456 -23.575 1.00 0.00 O ATOM 445 CG2 THR A 285 21.940 -42.049 -25.219 1.00 0.00 C ATOM 0 H THR A 285 25.337 -40.450 -23.388 1.00 0.00 H new ATOM 0 HA THR A 285 24.081 -40.461 -25.419 1.00 0.00 H new ATOM 0 HB THR A 285 22.058 -41.195 -23.249 1.00 0.00 H new ATOM 0 HG1 THR A 285 23.161 -43.248 -23.278 1.00 0.00 H new ATOM 0 HG21 THR A 285 21.389 -42.928 -24.886 1.00 0.00 H new ATOM 0 HG22 THR A 285 21.239 -41.297 -25.582 1.00 0.00 H new ATOM 0 HG23 THR A 285 22.619 -42.330 -26.024 1.00 0.00 H new