USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 365 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 299 HIS : no HD1:sc= -9.24! C(o=-9.8!,f=-17!) USER MOD Set 1.2: A 310 TYR OH : rot -151:sc= -0.543 USER MOD Set 2.1: A 298 LYS NZ :NH3+ -121:sc= 0.086 (180deg=-1.45!) USER MOD Set 2.2: A 307 GLN : amide:sc= -7.85! C(o=-7.8!,f=-12!) USER MOD Set 3.1: A 293 SER OG : rot -163:sc= 0.288 USER MOD Set 3.2: A 296 ASN : amide:sc= 0.151 K(o=0.44,f=-0.54) USER MOD Set 4.1: A 267 LYS NZ :NH3+ 161:sc= -0.313 (180deg=-1.31!) USER MOD Set 4.2: A 288 GLN : amide:sc= -3.29! C(o=-3.6!,f=-6.9!) USER MOD Single : A 268 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.32) USER MOD Single : A 269 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.27) USER MOD Single : A 279 ASN : amide:sc= -4.71! C(o=-4.7!,f=-3.4!) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 151:sc= -0.0366 (180deg=-0.954) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 ASN : amide:sc=-0.000351 X(o=-0.00035,f=0) USER MOD Single : A 289 SER OG : rot 180:sc= 0 USER MOD Single : A 290 LYS NZ :NH3+ -135:sc= -3.25! (180deg=-5.6!) USER MOD Single : A 291 CYS SG : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ -106:sc= -0.394 (180deg=-3.39!) USER MOD Single : A 305 SER OG : rot -140:sc= -0.126 USER MOD Single : A 311 LYS NZ :NH3+ 129:sc= -0.132 (180deg=-0.865) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 6.932 12.616 -23.598 1.00 0.00 N ATOM 2 CA LYS A 267 6.970 11.611 -24.653 1.00 0.00 C ATOM 3 C LYS A 267 8.362 10.992 -24.755 1.00 0.00 C ATOM 4 O LYS A 267 8.620 9.928 -24.194 1.00 0.00 O ATOM 5 CB LYS A 267 6.590 12.246 -25.993 1.00 0.00 C ATOM 6 CG LYS A 267 6.495 11.158 -27.064 1.00 0.00 C ATOM 7 CD LYS A 267 6.180 11.800 -28.417 1.00 0.00 C ATOM 8 CE LYS A 267 5.917 10.706 -29.453 1.00 0.00 C ATOM 9 NZ LYS A 267 4.888 9.762 -28.930 1.00 0.00 N ATOM 0 HA LYS A 267 6.254 10.826 -24.408 1.00 0.00 H new ATOM 0 HB2 LYS A 267 5.637 12.767 -25.903 1.00 0.00 H new ATOM 0 HB3 LYS A 267 7.334 12.989 -26.279 1.00 0.00 H new ATOM 0 HG2 LYS A 267 7.433 10.606 -27.121 1.00 0.00 H new ATOM 0 HG3 LYS A 267 5.718 10.440 -26.800 1.00 0.00 H new ATOM 0 HD2 LYS A 267 5.309 12.449 -28.329 1.00 0.00 H new ATOM 0 HD3 LYS A 267 7.013 12.426 -28.737 1.00 0.00 H new ATOM 0 HE2 LYS A 267 5.576 11.150 -30.388 1.00 0.00 H new ATOM 0 HE3 LYS A 267 6.840 10.169 -29.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 4.476 9.225 -29.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 5.331 9.103 -28.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 4.139 10.298 -28.447 1.00 0.00 H new ATOM 23 N HIS A 268 9.255 11.666 -25.473 1.00 0.00 N ATOM 24 CA HIS A 268 10.616 11.171 -25.639 1.00 0.00 C ATOM 25 C HIS A 268 11.468 11.533 -24.427 1.00 0.00 C ATOM 26 O HIS A 268 11.313 12.607 -23.846 1.00 0.00 O ATOM 27 CB HIS A 268 11.241 11.771 -26.900 1.00 0.00 C ATOM 28 CG HIS A 268 12.637 11.239 -27.068 1.00 0.00 C ATOM 29 ND1 HIS A 268 12.893 9.904 -27.343 1.00 0.00 N ATOM 30 CD2 HIS A 268 13.865 11.850 -27.005 1.00 0.00 C ATOM 31 CE1 HIS A 268 14.228 9.757 -27.433 1.00 0.00 C ATOM 32 NE2 HIS A 268 14.867 10.912 -27.235 1.00 0.00 N ATOM 0 H HIS A 268 9.063 12.549 -25.945 1.00 0.00 H new ATOM 0 HA HIS A 268 10.578 10.086 -25.733 1.00 0.00 H new ATOM 0 HB2 HIS A 268 10.637 11.521 -27.772 1.00 0.00 H new ATOM 0 HB3 HIS A 268 11.261 12.858 -26.827 1.00 0.00 H new ATOM 0 HD2 HIS A 268 14.028 12.899 -26.807 1.00 0.00 H new ATOM 0 HE1 HIS A 268 14.722 8.819 -27.640 1.00 0.00 H new ATOM 0 HE2 HIS A 268 15.874 11.073 -27.249 1.00 0.00 H new ATOM 41 N GLN A 269 12.370 10.632 -24.050 1.00 0.00 N ATOM 42 CA GLN A 269 13.239 10.873 -22.906 1.00 0.00 C ATOM 43 C GLN A 269 14.140 12.077 -23.173 1.00 0.00 C ATOM 44 O GLN A 269 14.518 12.337 -24.316 1.00 0.00 O ATOM 45 CB GLN A 269 14.097 9.637 -22.631 1.00 0.00 C ATOM 46 CG GLN A 269 14.627 9.073 -23.952 1.00 0.00 C ATOM 47 CD GLN A 269 15.645 7.972 -23.676 1.00 0.00 C ATOM 48 OE1 GLN A 269 15.636 7.371 -22.602 1.00 0.00 O ATOM 49 NE2 GLN A 269 16.529 7.670 -24.588 1.00 0.00 N ATOM 0 H GLN A 269 12.517 9.737 -24.516 1.00 0.00 H new ATOM 0 HA GLN A 269 12.619 11.080 -22.034 1.00 0.00 H new ATOM 0 HB2 GLN A 269 14.928 9.898 -21.976 1.00 0.00 H new ATOM 0 HB3 GLN A 269 13.507 8.881 -22.112 1.00 0.00 H new ATOM 0 HG2 GLN A 269 13.803 8.677 -24.545 1.00 0.00 H new ATOM 0 HG3 GLN A 269 15.088 9.868 -24.538 1.00 0.00 H new ATOM 0 HE21 GLN A 269 16.535 8.169 -25.478 1.00 0.00 H new ATOM 0 HE22 GLN A 269 17.214 6.935 -24.411 1.00 0.00 H new ATOM 58 N PRO A 270 14.489 12.811 -22.148 1.00 0.00 N ATOM 59 CA PRO A 270 15.365 14.013 -22.300 1.00 0.00 C ATOM 60 C PRO A 270 16.711 13.673 -22.936 1.00 0.00 C ATOM 61 O PRO A 270 17.215 12.559 -22.794 1.00 0.00 O ATOM 62 CB PRO A 270 15.547 14.523 -20.864 1.00 0.00 C ATOM 63 CG PRO A 270 15.266 13.347 -19.998 1.00 0.00 C ATOM 64 CD PRO A 270 14.194 12.549 -20.731 1.00 0.00 C ATOM 0 HA PRO A 270 14.922 14.755 -22.964 1.00 0.00 H new ATOM 0 HB2 PRO A 270 16.558 14.898 -20.704 1.00 0.00 H new ATOM 0 HB3 PRO A 270 14.864 15.344 -20.648 1.00 0.00 H new ATOM 0 HG2 PRO A 270 16.164 12.749 -19.844 1.00 0.00 H new ATOM 0 HG3 PRO A 270 14.919 13.659 -19.013 1.00 0.00 H new ATOM 0 HD2 PRO A 270 14.253 11.486 -20.497 1.00 0.00 H new ATOM 0 HD3 PRO A 270 13.191 12.879 -20.461 1.00 0.00 H new ATOM 72 N GLY A 271 17.286 14.647 -23.635 1.00 0.00 N ATOM 73 CA GLY A 271 18.574 14.454 -24.289 1.00 0.00 C ATOM 74 C GLY A 271 19.379 15.747 -24.277 1.00 0.00 C ATOM 75 O GLY A 271 20.109 16.046 -25.223 1.00 0.00 O ATOM 0 H GLY A 271 16.881 15.575 -23.762 1.00 0.00 H new ATOM 0 HA2 GLY A 271 19.132 13.667 -23.781 1.00 0.00 H new ATOM 0 HA3 GLY A 271 18.421 14.124 -25.316 1.00 0.00 H new ATOM 79 N GLY A 272 19.239 16.513 -23.199 1.00 0.00 N ATOM 80 CA GLY A 272 19.953 17.778 -23.070 1.00 0.00 C ATOM 81 C GLY A 272 19.064 18.945 -23.485 1.00 0.00 C ATOM 82 O GLY A 272 19.482 20.102 -23.442 1.00 0.00 O ATOM 0 H GLY A 272 18.641 16.281 -22.406 1.00 0.00 H new ATOM 0 HA2 GLY A 272 20.280 17.913 -22.039 1.00 0.00 H new ATOM 0 HA3 GLY A 272 20.850 17.760 -23.689 1.00 0.00 H new ATOM 86 N GLY A 273 17.833 18.632 -23.885 1.00 0.00 N ATOM 87 CA GLY A 273 16.884 19.661 -24.305 1.00 0.00 C ATOM 88 C GLY A 273 15.707 19.741 -23.338 1.00 0.00 C ATOM 89 O GLY A 273 15.339 20.824 -22.882 1.00 0.00 O ATOM 0 H GLY A 273 17.471 17.679 -23.927 1.00 0.00 H new ATOM 0 HA2 GLY A 273 17.386 20.627 -24.354 1.00 0.00 H new ATOM 0 HA3 GLY A 273 16.521 19.439 -25.309 1.00 0.00 H new ATOM 93 N LYS A 274 15.120 18.588 -23.031 1.00 0.00 N ATOM 94 CA LYS A 274 13.984 18.536 -22.115 1.00 0.00 C ATOM 95 C LYS A 274 14.453 18.182 -20.706 1.00 0.00 C ATOM 96 O LYS A 274 15.456 17.491 -20.531 1.00 0.00 O ATOM 97 CB LYS A 274 12.971 17.496 -22.598 1.00 0.00 C ATOM 98 CG LYS A 274 12.432 17.909 -23.970 1.00 0.00 C ATOM 99 CD LYS A 274 11.340 16.930 -24.409 1.00 0.00 C ATOM 100 CE LYS A 274 10.907 17.257 -25.839 1.00 0.00 C ATOM 101 NZ LYS A 274 10.296 16.049 -26.462 1.00 0.00 N ATOM 0 H LYS A 274 15.409 17.682 -23.400 1.00 0.00 H new ATOM 0 HA LYS A 274 13.510 19.517 -22.093 1.00 0.00 H new ATOM 0 HB2 LYS A 274 13.442 16.515 -22.661 1.00 0.00 H new ATOM 0 HB3 LYS A 274 12.152 17.411 -21.884 1.00 0.00 H new ATOM 0 HG2 LYS A 274 12.030 18.921 -23.924 1.00 0.00 H new ATOM 0 HG3 LYS A 274 13.240 17.920 -24.701 1.00 0.00 H new ATOM 0 HD2 LYS A 274 11.711 15.907 -24.355 1.00 0.00 H new ATOM 0 HD3 LYS A 274 10.486 16.995 -23.735 1.00 0.00 H new ATOM 0 HE2 LYS A 274 10.191 18.079 -25.834 1.00 0.00 H new ATOM 0 HE3 LYS A 274 11.766 17.586 -26.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 10.002 16.271 -27.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 10.993 15.277 -26.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 9.467 15.754 -25.908 1.00 0.00 H new ATOM 115 N VAL A 275 13.727 18.670 -19.703 1.00 0.00 N ATOM 116 CA VAL A 275 14.080 18.404 -18.310 1.00 0.00 C ATOM 117 C VAL A 275 12.848 17.994 -17.505 1.00 0.00 C ATOM 118 O VAL A 275 12.925 17.805 -16.292 1.00 0.00 O ATOM 119 CB VAL A 275 14.706 19.655 -17.687 1.00 0.00 C ATOM 120 CG1 VAL A 275 13.646 20.751 -17.568 1.00 0.00 C ATOM 121 CG2 VAL A 275 15.251 19.320 -16.296 1.00 0.00 C ATOM 0 H VAL A 275 12.896 19.248 -19.827 1.00 0.00 H new ATOM 0 HA VAL A 275 14.798 17.584 -18.288 1.00 0.00 H new ATOM 0 HB VAL A 275 15.521 20.004 -18.321 1.00 0.00 H new ATOM 0 HG11 VAL A 275 14.092 21.641 -17.125 1.00 0.00 H new ATOM 0 HG12 VAL A 275 13.260 20.993 -18.558 1.00 0.00 H new ATOM 0 HG13 VAL A 275 12.830 20.401 -16.936 1.00 0.00 H new ATOM 0 HG21 VAL A 275 15.696 20.212 -15.855 1.00 0.00 H new ATOM 0 HG22 VAL A 275 14.437 18.969 -15.661 1.00 0.00 H new ATOM 0 HG23 VAL A 275 16.008 18.540 -16.380 1.00 0.00 H new ATOM 131 N GLN A 276 11.712 17.874 -18.184 1.00 0.00 N ATOM 132 CA GLN A 276 10.469 17.504 -17.512 1.00 0.00 C ATOM 133 C GLN A 276 10.608 16.167 -16.790 1.00 0.00 C ATOM 134 O GLN A 276 10.102 15.999 -15.681 1.00 0.00 O ATOM 135 CB GLN A 276 9.335 17.419 -18.534 1.00 0.00 C ATOM 136 CG GLN A 276 9.141 18.787 -19.193 1.00 0.00 C ATOM 137 CD GLN A 276 8.749 19.821 -18.144 1.00 0.00 C ATOM 138 OE1 GLN A 276 7.751 19.649 -17.443 1.00 0.00 O ATOM 139 NE2 GLN A 276 9.482 20.889 -17.988 1.00 0.00 N ATOM 0 H GLN A 276 11.625 18.025 -19.189 1.00 0.00 H new ATOM 0 HA GLN A 276 10.243 18.271 -16.771 1.00 0.00 H new ATOM 0 HB2 GLN A 276 9.567 16.669 -19.290 1.00 0.00 H new ATOM 0 HB3 GLN A 276 8.413 17.104 -18.045 1.00 0.00 H new ATOM 0 HG2 GLN A 276 10.061 19.093 -19.691 1.00 0.00 H new ATOM 0 HG3 GLN A 276 8.369 18.724 -19.960 1.00 0.00 H new ATOM 0 HE21 GLN A 276 10.308 21.030 -18.569 1.00 0.00 H new ATOM 0 HE22 GLN A 276 9.229 21.583 -17.285 1.00 0.00 H new ATOM 148 N ILE A 277 11.300 15.217 -17.415 1.00 0.00 N ATOM 149 CA ILE A 277 11.498 13.902 -16.803 1.00 0.00 C ATOM 150 C ILE A 277 12.964 13.723 -16.420 1.00 0.00 C ATOM 151 O ILE A 277 13.735 13.101 -17.149 1.00 0.00 O ATOM 152 CB ILE A 277 11.079 12.805 -17.784 1.00 0.00 C ATOM 153 CG1 ILE A 277 9.656 13.081 -18.275 1.00 0.00 C ATOM 154 CG2 ILE A 277 11.109 11.449 -17.076 1.00 0.00 C ATOM 155 CD1 ILE A 277 9.285 12.070 -19.362 1.00 0.00 C ATOM 0 H ILE A 277 11.729 15.329 -18.334 1.00 0.00 H new ATOM 0 HA ILE A 277 10.885 13.831 -15.905 1.00 0.00 H new ATOM 0 HB ILE A 277 11.766 12.793 -18.630 1.00 0.00 H new ATOM 0 HG12 ILE A 277 8.954 13.012 -17.444 1.00 0.00 H new ATOM 0 HG13 ILE A 277 9.586 14.095 -18.668 1.00 0.00 H new ATOM 0 HG21 ILE A 277 10.811 10.667 -17.774 1.00 0.00 H new ATOM 0 HG22 ILE A 277 12.118 11.248 -16.717 1.00 0.00 H new ATOM 0 HG23 ILE A 277 10.420 11.464 -16.232 1.00 0.00 H new ATOM 0 HD11 ILE A 277 8.271 12.267 -19.711 1.00 0.00 H new ATOM 0 HD12 ILE A 277 9.981 12.161 -20.196 1.00 0.00 H new ATOM 0 HD13 ILE A 277 9.338 11.061 -18.954 1.00 0.00 H new ATOM 167 N ILE A 278 13.339 14.283 -15.276 1.00 0.00 N ATOM 168 CA ILE A 278 14.716 14.197 -14.802 1.00 0.00 C ATOM 169 C ILE A 278 15.122 12.755 -14.499 1.00 0.00 C ATOM 170 O ILE A 278 16.256 12.356 -14.762 1.00 0.00 O ATOM 171 CB ILE A 278 14.877 15.052 -13.544 1.00 0.00 C ATOM 172 CG1 ILE A 278 14.508 16.502 -13.869 1.00 0.00 C ATOM 173 CG2 ILE A 278 16.329 14.990 -13.065 1.00 0.00 C ATOM 174 CD1 ILE A 278 14.503 17.331 -12.584 1.00 0.00 C ATOM 0 H ILE A 278 12.711 14.800 -14.661 1.00 0.00 H new ATOM 0 HA ILE A 278 15.368 14.567 -15.593 1.00 0.00 H new ATOM 0 HB ILE A 278 14.222 14.674 -12.759 1.00 0.00 H new ATOM 0 HG12 ILE A 278 15.222 16.919 -14.580 1.00 0.00 H new ATOM 0 HG13 ILE A 278 13.527 16.541 -14.342 1.00 0.00 H new ATOM 0 HG21 ILE A 278 16.443 15.600 -12.169 1.00 0.00 H new ATOM 0 HG22 ILE A 278 16.593 13.957 -12.838 1.00 0.00 H new ATOM 0 HG23 ILE A 278 16.987 15.369 -13.847 1.00 0.00 H new ATOM 0 HD11 ILE A 278 14.240 18.363 -12.818 1.00 0.00 H new ATOM 0 HD12 ILE A 278 13.772 16.919 -11.888 1.00 0.00 H new ATOM 0 HD13 ILE A 278 15.493 17.303 -12.129 1.00 0.00 H new ATOM 186 N ASN A 279 14.199 11.980 -13.937 1.00 0.00 N ATOM 187 CA ASN A 279 14.492 10.590 -13.596 1.00 0.00 C ATOM 188 C ASN A 279 14.339 9.676 -14.799 1.00 0.00 C ATOM 189 O ASN A 279 14.521 8.464 -14.692 1.00 0.00 O ATOM 190 CB ASN A 279 13.569 10.115 -12.473 1.00 0.00 C ATOM 191 CG ASN A 279 12.121 10.101 -12.953 1.00 0.00 C ATOM 192 OD1 ASN A 279 11.256 10.725 -12.337 1.00 0.00 O ATOM 193 ND2 ASN A 279 11.802 9.421 -14.019 1.00 0.00 N ATOM 0 H ASN A 279 13.253 12.285 -13.710 1.00 0.00 H new ATOM 0 HA ASN A 279 15.529 10.545 -13.262 1.00 0.00 H new ATOM 0 HB2 ASN A 279 13.862 9.116 -12.149 1.00 0.00 H new ATOM 0 HB3 ASN A 279 13.667 10.772 -11.609 1.00 0.00 H new ATOM 0 HD21 ASN A 279 10.835 9.405 -14.344 1.00 0.00 H new ATOM 0 HD22 ASN A 279 12.519 8.905 -14.528 1.00 0.00 H new ATOM 200 N LYS A 280 14.009 10.253 -15.943 1.00 0.00 N ATOM 201 CA LYS A 280 13.845 9.459 -17.148 1.00 0.00 C ATOM 202 C LYS A 280 13.139 8.149 -16.820 1.00 0.00 C ATOM 203 O LYS A 280 12.334 8.080 -15.891 1.00 0.00 O ATOM 204 CB LYS A 280 15.211 9.160 -17.762 1.00 0.00 C ATOM 205 CG LYS A 280 15.961 10.471 -17.990 1.00 0.00 C ATOM 206 CD LYS A 280 17.202 10.205 -18.843 1.00 0.00 C ATOM 207 CE LYS A 280 18.121 9.229 -18.108 1.00 0.00 C ATOM 208 NZ LYS A 280 19.506 9.353 -18.642 1.00 0.00 N ATOM 0 H LYS A 280 13.851 11.254 -16.062 1.00 0.00 H new ATOM 0 HA LYS A 280 13.242 10.023 -17.860 1.00 0.00 H new ATOM 0 HB2 LYS A 280 15.785 8.510 -17.102 1.00 0.00 H new ATOM 0 HB3 LYS A 280 15.090 8.628 -18.706 1.00 0.00 H new ATOM 0 HG2 LYS A 280 15.312 11.192 -18.487 1.00 0.00 H new ATOM 0 HG3 LYS A 280 16.250 10.908 -17.034 1.00 0.00 H new ATOM 0 HD2 LYS A 280 16.912 9.792 -19.809 1.00 0.00 H new ATOM 0 HD3 LYS A 280 17.728 11.139 -19.041 1.00 0.00 H new ATOM 0 HE2 LYS A 280 18.112 9.440 -17.039 1.00 0.00 H new ATOM 0 HE3 LYS A 280 17.761 8.208 -18.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 20.131 8.689 -18.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 19.507 9.132 -19.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 19.848 10.325 -18.499 1.00 0.00 H new ATOM 222 N LYS A 281 13.462 7.114 -17.579 1.00 0.00 N ATOM 223 CA LYS A 281 12.874 5.789 -17.376 1.00 0.00 C ATOM 224 C LYS A 281 11.340 5.824 -17.428 1.00 0.00 C ATOM 225 O LYS A 281 10.703 4.789 -17.620 1.00 0.00 O ATOM 226 CB LYS A 281 13.318 5.228 -16.020 1.00 0.00 C ATOM 227 CG LYS A 281 14.721 4.618 -16.134 1.00 0.00 C ATOM 228 CD LYS A 281 15.756 5.734 -16.275 1.00 0.00 C ATOM 229 CE LYS A 281 17.163 5.132 -16.233 1.00 0.00 C ATOM 230 NZ LYS A 281 18.164 6.186 -16.559 1.00 0.00 N ATOM 0 H LYS A 281 14.132 7.162 -18.347 1.00 0.00 H new ATOM 0 HA LYS A 281 13.224 5.149 -18.186 1.00 0.00 H new ATOM 0 HB2 LYS A 281 13.318 6.021 -15.272 1.00 0.00 H new ATOM 0 HB3 LYS A 281 12.610 4.471 -15.682 1.00 0.00 H new ATOM 0 HG2 LYS A 281 14.939 4.015 -15.252 1.00 0.00 H new ATOM 0 HG3 LYS A 281 14.770 3.952 -16.995 1.00 0.00 H new ATOM 0 HD2 LYS A 281 15.605 6.268 -17.213 1.00 0.00 H new ATOM 0 HD3 LYS A 281 15.635 6.460 -15.471 1.00 0.00 H new ATOM 0 HE2 LYS A 281 17.364 4.718 -15.245 1.00 0.00 H new ATOM 0 HE3 LYS A 281 17.240 4.310 -16.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 19.063 5.970 -16.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 18.315 6.215 -17.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 17.813 7.110 -16.235 1.00 0.00 H new ATOM 244 N LEU A 282 10.751 7.003 -17.248 1.00 0.00 N ATOM 245 CA LEU A 282 9.298 7.127 -17.270 1.00 0.00 C ATOM 246 C LEU A 282 8.744 6.787 -18.649 1.00 0.00 C ATOM 247 O LEU A 282 7.700 6.145 -18.768 1.00 0.00 O ATOM 248 CB LEU A 282 8.895 8.555 -16.891 1.00 0.00 C ATOM 249 CG LEU A 282 7.370 8.652 -16.779 1.00 0.00 C ATOM 250 CD1 LEU A 282 6.887 7.849 -15.568 1.00 0.00 C ATOM 251 CD2 LEU A 282 6.968 10.120 -16.611 1.00 0.00 C ATOM 0 H LEU A 282 11.252 7.877 -17.087 1.00 0.00 H new ATOM 0 HA LEU A 282 8.882 6.425 -16.548 1.00 0.00 H new ATOM 0 HB2 LEU A 282 9.357 8.834 -15.944 1.00 0.00 H new ATOM 0 HB3 LEU A 282 9.259 9.257 -17.642 1.00 0.00 H new ATOM 0 HG LEU A 282 6.914 8.247 -17.683 1.00 0.00 H new ATOM 0 HD11 LEU A 282 5.802 7.921 -15.493 1.00 0.00 H new ATOM 0 HD12 LEU A 282 7.174 6.804 -15.686 1.00 0.00 H new ATOM 0 HD13 LEU A 282 7.341 8.249 -14.661 1.00 0.00 H new ATOM 0 HD21 LEU A 282 5.883 10.193 -16.531 1.00 0.00 H new ATOM 0 HD22 LEU A 282 7.427 10.522 -15.707 1.00 0.00 H new ATOM 0 HD23 LEU A 282 7.307 10.691 -17.475 1.00 0.00 H new ATOM 263 N ASP A 283 9.447 7.224 -19.691 1.00 0.00 N ATOM 264 CA ASP A 283 9.014 6.962 -21.062 1.00 0.00 C ATOM 265 C ASP A 283 9.968 5.999 -21.760 1.00 0.00 C ATOM 266 O ASP A 283 11.107 5.816 -21.332 1.00 0.00 O ATOM 267 CB ASP A 283 8.951 8.274 -21.846 1.00 0.00 C ATOM 268 CG ASP A 283 10.346 8.877 -21.973 1.00 0.00 C ATOM 269 OD1 ASP A 283 11.302 8.175 -21.684 1.00 0.00 O ATOM 270 OD2 ASP A 283 10.437 10.031 -22.356 1.00 0.00 O ATOM 0 H ASP A 283 10.313 7.757 -19.614 1.00 0.00 H new ATOM 0 HA ASP A 283 8.024 6.507 -21.026 1.00 0.00 H new ATOM 0 HB2 ASP A 283 8.532 8.095 -22.836 1.00 0.00 H new ATOM 0 HB3 ASP A 283 8.287 8.976 -21.342 1.00 0.00 H new ATOM 275 N LEU A 284 9.491 5.392 -22.843 1.00 0.00 N ATOM 276 CA LEU A 284 10.302 4.452 -23.611 1.00 0.00 C ATOM 277 C LEU A 284 10.744 5.092 -24.925 1.00 0.00 C ATOM 278 O LEU A 284 10.024 5.911 -25.498 1.00 0.00 O ATOM 279 CB LEU A 284 9.497 3.186 -23.901 1.00 0.00 C ATOM 280 CG LEU A 284 8.918 2.636 -22.595 1.00 0.00 C ATOM 281 CD1 LEU A 284 8.091 1.382 -22.891 1.00 0.00 C ATOM 282 CD2 LEU A 284 10.062 2.279 -21.642 1.00 0.00 C ATOM 0 H LEU A 284 8.549 5.534 -23.208 1.00 0.00 H new ATOM 0 HA LEU A 284 11.185 4.191 -23.027 1.00 0.00 H new ATOM 0 HB2 LEU A 284 8.693 3.407 -24.603 1.00 0.00 H new ATOM 0 HB3 LEU A 284 10.134 2.437 -24.372 1.00 0.00 H new ATOM 0 HG LEU A 284 8.281 3.390 -22.133 1.00 0.00 H new ATOM 0 HD11 LEU A 284 7.679 0.990 -21.961 1.00 0.00 H new ATOM 0 HD12 LEU A 284 7.277 1.635 -23.571 1.00 0.00 H new ATOM 0 HD13 LEU A 284 8.728 0.627 -23.352 1.00 0.00 H new ATOM 0 HD21 LEU A 284 9.651 1.887 -20.711 1.00 0.00 H new ATOM 0 HD22 LEU A 284 10.698 1.524 -22.104 1.00 0.00 H new ATOM 0 HD23 LEU A 284 10.652 3.171 -21.431 1.00 0.00 H new ATOM 294 N SER A 285 11.930 4.722 -25.397 1.00 0.00 N ATOM 295 CA SER A 285 12.451 5.276 -26.643 1.00 0.00 C ATOM 296 C SER A 285 11.558 4.899 -27.822 1.00 0.00 C ATOM 297 O SER A 285 11.800 3.901 -28.500 1.00 0.00 O ATOM 298 CB SER A 285 13.868 4.756 -26.887 1.00 0.00 C ATOM 299 OG SER A 285 14.797 5.588 -26.205 1.00 0.00 O ATOM 0 H SER A 285 12.544 4.047 -24.941 1.00 0.00 H new ATOM 0 HA SER A 285 12.468 6.362 -26.555 1.00 0.00 H new ATOM 0 HB2 SER A 285 13.956 3.728 -26.535 1.00 0.00 H new ATOM 0 HB3 SER A 285 14.086 4.747 -27.955 1.00 0.00 H new ATOM 0 HG SER A 285 15.707 5.257 -26.358 1.00 0.00 H new ATOM 305 N ASN A 286 10.530 5.708 -28.061 1.00 0.00 N ATOM 306 CA ASN A 286 9.599 5.466 -29.162 1.00 0.00 C ATOM 307 C ASN A 286 8.847 4.148 -28.977 1.00 0.00 C ATOM 308 O ASN A 286 7.706 4.011 -29.419 1.00 0.00 O ATOM 309 CB ASN A 286 10.349 5.444 -30.494 1.00 0.00 C ATOM 310 CG ASN A 286 9.350 5.384 -31.644 1.00 0.00 C ATOM 311 OD1 ASN A 286 9.314 4.402 -32.387 1.00 0.00 O ATOM 312 ND2 ASN A 286 8.524 6.376 -31.829 1.00 0.00 N ATOM 0 H ASN A 286 10.319 6.538 -27.507 1.00 0.00 H new ATOM 0 HA ASN A 286 8.873 6.279 -29.165 1.00 0.00 H new ATOM 0 HB2 ASN A 286 10.972 6.334 -30.587 1.00 0.00 H new ATOM 0 HB3 ASN A 286 11.016 4.583 -30.533 1.00 0.00 H new ATOM 0 HD21 ASN A 286 7.846 6.340 -32.590 1.00 0.00 H new ATOM 0 HD22 ASN A 286 8.556 7.188 -31.212 1.00 0.00 H new ATOM 319 N VAL A 287 9.483 3.184 -28.320 1.00 0.00 N ATOM 320 CA VAL A 287 8.853 1.893 -28.083 1.00 0.00 C ATOM 321 C VAL A 287 7.545 2.082 -27.326 1.00 0.00 C ATOM 322 O VAL A 287 6.630 1.265 -27.427 1.00 0.00 O ATOM 323 CB VAL A 287 9.795 0.995 -27.278 1.00 0.00 C ATOM 324 CG1 VAL A 287 9.040 -0.246 -26.803 1.00 0.00 C ATOM 325 CG2 VAL A 287 10.968 0.570 -28.164 1.00 0.00 C ATOM 0 H VAL A 287 10.427 3.272 -27.945 1.00 0.00 H new ATOM 0 HA VAL A 287 8.642 1.420 -29.042 1.00 0.00 H new ATOM 0 HB VAL A 287 10.169 1.543 -26.413 1.00 0.00 H new ATOM 0 HG11 VAL A 287 9.713 -0.884 -26.230 1.00 0.00 H new ATOM 0 HG12 VAL A 287 8.203 0.056 -26.174 1.00 0.00 H new ATOM 0 HG13 VAL A 287 8.665 -0.796 -27.666 1.00 0.00 H new ATOM 0 HG21 VAL A 287 11.641 -0.070 -27.594 1.00 0.00 H new ATOM 0 HG22 VAL A 287 10.592 0.022 -29.028 1.00 0.00 H new ATOM 0 HG23 VAL A 287 11.508 1.455 -28.502 1.00 0.00 H new ATOM 335 N GLN A 288 7.472 3.170 -26.566 1.00 0.00 N ATOM 336 CA GLN A 288 6.276 3.476 -25.788 1.00 0.00 C ATOM 337 C GLN A 288 5.011 3.255 -26.610 1.00 0.00 C ATOM 338 O GLN A 288 3.907 3.261 -26.067 1.00 0.00 O ATOM 339 CB GLN A 288 6.317 4.924 -25.303 1.00 0.00 C ATOM 340 CG GLN A 288 6.593 5.848 -26.488 1.00 0.00 C ATOM 341 CD GLN A 288 6.971 7.238 -25.987 1.00 0.00 C ATOM 342 OE1 GLN A 288 6.649 8.239 -26.627 1.00 0.00 O ATOM 343 NE2 GLN A 288 7.643 7.360 -24.873 1.00 0.00 N ATOM 0 H GLN A 288 8.224 3.853 -26.472 1.00 0.00 H new ATOM 0 HA GLN A 288 6.257 2.803 -24.931 1.00 0.00 H new ATOM 0 HB2 GLN A 288 5.369 5.189 -24.834 1.00 0.00 H new ATOM 0 HB3 GLN A 288 7.092 5.044 -24.546 1.00 0.00 H new ATOM 0 HG2 GLN A 288 7.399 5.440 -27.098 1.00 0.00 H new ATOM 0 HG3 GLN A 288 5.711 5.909 -27.125 1.00 0.00 H new ATOM 0 HE21 GLN A 288 7.909 6.529 -24.344 1.00 0.00 H new ATOM 0 HE22 GLN A 288 7.902 8.286 -24.532 1.00 0.00 H new ATOM 352 N SER A 289 5.167 3.047 -27.915 1.00 0.00 N ATOM 353 CA SER A 289 4.007 2.815 -28.766 1.00 0.00 C ATOM 354 C SER A 289 3.107 1.800 -28.083 1.00 0.00 C ATOM 355 O SER A 289 1.915 1.694 -28.377 1.00 0.00 O ATOM 356 CB SER A 289 4.446 2.274 -30.126 1.00 0.00 C ATOM 357 OG SER A 289 3.357 2.352 -31.036 1.00 0.00 O ATOM 0 H SER A 289 6.066 3.034 -28.397 1.00 0.00 H new ATOM 0 HA SER A 289 3.474 3.753 -28.922 1.00 0.00 H new ATOM 0 HB2 SER A 289 5.292 2.849 -30.503 1.00 0.00 H new ATOM 0 HB3 SER A 289 4.780 1.241 -30.029 1.00 0.00 H new ATOM 0 HG SER A 289 3.636 2.007 -31.910 1.00 0.00 H new ATOM 363 N LYS A 290 3.706 1.068 -27.157 1.00 0.00 N ATOM 364 CA LYS A 290 2.999 0.058 -26.391 1.00 0.00 C ATOM 365 C LYS A 290 2.242 0.720 -25.244 1.00 0.00 C ATOM 366 O LYS A 290 2.702 1.716 -24.684 1.00 0.00 O ATOM 367 CB LYS A 290 4.023 -0.933 -25.844 1.00 0.00 C ATOM 368 CG LYS A 290 4.766 -1.573 -27.020 1.00 0.00 C ATOM 369 CD LYS A 290 6.063 -2.211 -26.525 1.00 0.00 C ATOM 370 CE LYS A 290 6.750 -2.932 -27.688 1.00 0.00 C ATOM 371 NZ LYS A 290 5.799 -3.897 -28.306 1.00 0.00 N ATOM 0 H LYS A 290 4.693 1.158 -26.917 1.00 0.00 H new ATOM 0 HA LYS A 290 2.281 -0.464 -27.023 1.00 0.00 H new ATOM 0 HB2 LYS A 290 4.726 -0.424 -25.185 1.00 0.00 H new ATOM 0 HB3 LYS A 290 3.526 -1.699 -25.249 1.00 0.00 H new ATOM 0 HG2 LYS A 290 4.137 -2.326 -27.493 1.00 0.00 H new ATOM 0 HG3 LYS A 290 4.986 -0.820 -27.777 1.00 0.00 H new ATOM 0 HD2 LYS A 290 6.724 -1.447 -26.115 1.00 0.00 H new ATOM 0 HD3 LYS A 290 5.851 -2.915 -25.720 1.00 0.00 H new ATOM 0 HE2 LYS A 290 7.085 -2.209 -28.431 1.00 0.00 H new ATOM 0 HE3 LYS A 290 7.637 -3.456 -27.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 6.282 -4.803 -28.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 4.992 -4.047 -27.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 5.457 -3.516 -29.211 1.00 0.00 H new ATOM 385 N CYS A 291 1.081 0.176 -24.901 1.00 0.00 N ATOM 386 CA CYS A 291 0.282 0.745 -23.821 1.00 0.00 C ATOM 387 C CYS A 291 1.051 0.710 -22.506 1.00 0.00 C ATOM 388 O CYS A 291 0.879 1.579 -21.651 1.00 0.00 O ATOM 389 CB CYS A 291 -1.027 -0.032 -23.673 1.00 0.00 C ATOM 390 SG CYS A 291 -2.015 0.159 -25.177 1.00 0.00 S ATOM 0 H CYS A 291 0.675 -0.647 -25.347 1.00 0.00 H new ATOM 0 HA CYS A 291 0.061 1.783 -24.068 1.00 0.00 H new ATOM 0 HB2 CYS A 291 -0.818 -1.087 -23.494 1.00 0.00 H new ATOM 0 HB3 CYS A 291 -1.584 0.334 -22.810 1.00 0.00 H new ATOM 0 HG CYS A 291 -3.127 -0.503 -25.053 1.00 0.00 H new ATOM 396 N GLY A 292 1.901 -0.300 -22.349 1.00 0.00 N ATOM 397 CA GLY A 292 2.696 -0.442 -21.133 1.00 0.00 C ATOM 398 C GLY A 292 4.156 -0.723 -21.472 1.00 0.00 C ATOM 399 O GLY A 292 5.017 0.145 -21.331 1.00 0.00 O ATOM 0 H GLY A 292 2.057 -1.029 -23.045 1.00 0.00 H new ATOM 0 HA2 GLY A 292 2.625 0.468 -20.538 1.00 0.00 H new ATOM 0 HA3 GLY A 292 2.296 -1.253 -20.524 1.00 0.00 H new ATOM 403 N SER A 293 4.419 -1.944 -21.918 1.00 0.00 N ATOM 404 CA SER A 293 5.770 -2.352 -22.280 1.00 0.00 C ATOM 405 C SER A 293 5.785 -3.836 -22.624 1.00 0.00 C ATOM 406 O SER A 293 6.238 -4.663 -21.834 1.00 0.00 O ATOM 407 CB SER A 293 6.729 -2.083 -21.120 1.00 0.00 C ATOM 408 OG SER A 293 7.921 -2.834 -21.313 1.00 0.00 O ATOM 0 H SER A 293 3.713 -2.671 -22.038 1.00 0.00 H new ATOM 0 HA SER A 293 6.092 -1.777 -23.148 1.00 0.00 H new ATOM 0 HB2 SER A 293 6.961 -1.019 -21.063 1.00 0.00 H new ATOM 0 HB3 SER A 293 6.261 -2.358 -20.175 1.00 0.00 H new ATOM 0 HG SER A 293 8.419 -2.879 -20.470 1.00 0.00 H new ATOM 414 N LYS A 294 5.273 -4.166 -23.805 1.00 0.00 N ATOM 415 CA LYS A 294 5.215 -5.556 -24.240 1.00 0.00 C ATOM 416 C LYS A 294 6.593 -6.204 -24.172 1.00 0.00 C ATOM 417 O LYS A 294 6.707 -7.405 -23.931 1.00 0.00 O ATOM 418 CB LYS A 294 4.681 -5.633 -25.670 1.00 0.00 C ATOM 419 CG LYS A 294 3.249 -5.098 -25.703 1.00 0.00 C ATOM 420 CD LYS A 294 2.674 -5.272 -27.108 1.00 0.00 C ATOM 421 CE LYS A 294 1.277 -4.651 -27.168 1.00 0.00 C ATOM 422 NZ LYS A 294 0.323 -5.501 -26.402 1.00 0.00 N ATOM 0 H LYS A 294 4.895 -3.495 -24.474 1.00 0.00 H new ATOM 0 HA LYS A 294 4.544 -6.095 -23.571 1.00 0.00 H new ATOM 0 HB2 LYS A 294 5.315 -5.051 -26.339 1.00 0.00 H new ATOM 0 HB3 LYS A 294 4.705 -6.663 -26.025 1.00 0.00 H new ATOM 0 HG2 LYS A 294 2.633 -5.630 -24.978 1.00 0.00 H new ATOM 0 HG3 LYS A 294 3.236 -4.045 -25.421 1.00 0.00 H new ATOM 0 HD2 LYS A 294 3.326 -4.797 -27.841 1.00 0.00 H new ATOM 0 HD3 LYS A 294 2.624 -6.330 -27.364 1.00 0.00 H new ATOM 0 HE2 LYS A 294 1.297 -3.643 -26.753 1.00 0.00 H new ATOM 0 HE3 LYS A 294 0.951 -4.562 -28.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -0.286 -6.023 -27.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 0.854 -6.176 -25.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -0.265 -4.899 -25.792 1.00 0.00 H new ATOM 436 N ASP A 295 7.640 -5.409 -24.377 1.00 0.00 N ATOM 437 CA ASP A 295 8.992 -5.948 -24.319 1.00 0.00 C ATOM 438 C ASP A 295 9.171 -6.716 -23.022 1.00 0.00 C ATOM 439 O ASP A 295 9.718 -7.819 -23.005 1.00 0.00 O ATOM 440 CB ASP A 295 10.008 -4.810 -24.369 1.00 0.00 C ATOM 441 CG ASP A 295 9.993 -4.152 -25.744 1.00 0.00 C ATOM 442 OD1 ASP A 295 9.413 -4.729 -26.649 1.00 0.00 O ATOM 443 OD2 ASP A 295 10.563 -3.080 -25.872 1.00 0.00 O ATOM 0 H ASP A 295 7.580 -4.411 -24.580 1.00 0.00 H new ATOM 0 HA ASP A 295 9.149 -6.611 -25.170 1.00 0.00 H new ATOM 0 HB2 ASP A 295 9.776 -4.071 -23.602 1.00 0.00 H new ATOM 0 HB3 ASP A 295 11.005 -5.193 -24.152 1.00 0.00 H new ATOM 448 N ASN A 296 8.673 -6.132 -21.941 1.00 0.00 N ATOM 449 CA ASN A 296 8.741 -6.769 -20.639 1.00 0.00 C ATOM 450 C ASN A 296 7.471 -7.573 -20.420 1.00 0.00 C ATOM 451 O ASN A 296 7.488 -8.592 -19.738 1.00 0.00 O ATOM 452 CB ASN A 296 8.884 -5.714 -19.541 1.00 0.00 C ATOM 453 CG ASN A 296 10.094 -4.830 -19.821 1.00 0.00 C ATOM 454 OD1 ASN A 296 10.041 -3.619 -19.611 1.00 0.00 O ATOM 455 ND2 ASN A 296 11.188 -5.365 -20.291 1.00 0.00 N ATOM 0 H ASN A 296 8.218 -5.219 -21.943 1.00 0.00 H new ATOM 0 HA ASN A 296 9.609 -7.428 -20.600 1.00 0.00 H new ATOM 0 HB2 ASN A 296 7.982 -5.104 -19.491 1.00 0.00 H new ATOM 0 HB3 ASN A 296 8.995 -6.199 -18.571 1.00 0.00 H new ATOM 0 HD21 ASN A 296 12.000 -4.779 -20.484 1.00 0.00 H new ATOM 0 HD22 ASN A 296 11.231 -6.369 -20.465 1.00 0.00 H new ATOM 462 N ILE A 297 6.387 -7.066 -21.028 1.00 0.00 N ATOM 463 CA ILE A 297 5.043 -7.659 -20.966 1.00 0.00 C ATOM 464 C ILE A 297 4.070 -6.659 -20.348 1.00 0.00 C ATOM 465 O ILE A 297 3.525 -6.904 -19.277 1.00 0.00 O ATOM 466 CB ILE A 297 5.006 -8.965 -20.161 1.00 0.00 C ATOM 467 CG1 ILE A 297 3.623 -9.607 -20.337 1.00 0.00 C ATOM 468 CG2 ILE A 297 5.261 -8.679 -18.668 1.00 0.00 C ATOM 469 CD1 ILE A 297 3.676 -11.065 -19.876 1.00 0.00 C ATOM 0 H ILE A 297 6.422 -6.214 -21.588 1.00 0.00 H new ATOM 0 HA ILE A 297 4.752 -7.898 -21.989 1.00 0.00 H new ATOM 0 HB ILE A 297 5.783 -9.640 -20.521 1.00 0.00 H new ATOM 0 HG12 ILE A 297 2.879 -9.058 -19.759 1.00 0.00 H new ATOM 0 HG13 ILE A 297 3.316 -9.555 -21.382 1.00 0.00 H new ATOM 0 HG21 ILE A 297 5.232 -9.614 -18.108 1.00 0.00 H new ATOM 0 HG22 ILE A 297 6.240 -8.215 -18.548 1.00 0.00 H new ATOM 0 HG23 ILE A 297 4.492 -8.006 -18.290 1.00 0.00 H new ATOM 0 HD11 ILE A 297 2.694 -11.522 -20.001 1.00 0.00 H new ATOM 0 HD12 ILE A 297 4.408 -11.609 -20.473 1.00 0.00 H new ATOM 0 HD13 ILE A 297 3.964 -11.104 -18.825 1.00 0.00 H new ATOM 481 N LYS A 298 3.878 -5.530 -21.040 1.00 0.00 N ATOM 482 CA LYS A 298 2.985 -4.455 -20.582 1.00 0.00 C ATOM 483 C LYS A 298 2.336 -4.764 -19.230 1.00 0.00 C ATOM 484 O LYS A 298 1.124 -4.942 -19.132 1.00 0.00 O ATOM 485 CB LYS A 298 1.905 -4.185 -21.634 1.00 0.00 C ATOM 486 CG LYS A 298 1.226 -5.497 -22.030 1.00 0.00 C ATOM 487 CD LYS A 298 0.348 -5.274 -23.265 1.00 0.00 C ATOM 488 CE LYS A 298 -0.964 -4.606 -22.849 1.00 0.00 C ATOM 489 NZ LYS A 298 -1.641 -5.442 -21.817 1.00 0.00 N ATOM 0 H LYS A 298 4.335 -5.334 -21.931 1.00 0.00 H new ATOM 0 HA LYS A 298 3.599 -3.565 -20.446 1.00 0.00 H new ATOM 0 HB2 LYS A 298 1.166 -3.488 -21.239 1.00 0.00 H new ATOM 0 HB3 LYS A 298 2.349 -3.716 -22.512 1.00 0.00 H new ATOM 0 HG2 LYS A 298 1.978 -6.258 -22.240 1.00 0.00 H new ATOM 0 HG3 LYS A 298 0.620 -5.867 -21.203 1.00 0.00 H new ATOM 0 HD2 LYS A 298 0.872 -4.649 -23.988 1.00 0.00 H new ATOM 0 HD3 LYS A 298 0.144 -6.226 -23.755 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -0.768 -3.609 -22.454 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -1.613 -4.483 -23.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -2.582 -5.722 -22.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -1.073 -6.293 -21.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -1.741 -4.895 -20.938 1.00 0.00 H new ATOM 503 N HIS A 299 3.171 -4.807 -18.193 1.00 0.00 N ATOM 504 CA HIS A 299 2.710 -5.070 -16.829 1.00 0.00 C ATOM 505 C HIS A 299 3.195 -3.963 -15.862 1.00 0.00 C ATOM 506 O HIS A 299 4.348 -3.543 -15.920 1.00 0.00 O ATOM 507 CB HIS A 299 3.240 -6.428 -16.378 1.00 0.00 C ATOM 508 CG HIS A 299 4.739 -6.376 -16.271 1.00 0.00 C ATOM 509 ND1 HIS A 299 5.458 -7.291 -15.528 1.00 0.00 N ATOM 510 CD2 HIS A 299 5.671 -5.521 -16.806 1.00 0.00 C ATOM 511 CE1 HIS A 299 6.757 -6.964 -15.635 1.00 0.00 C ATOM 512 NE2 HIS A 299 6.941 -5.895 -16.403 1.00 0.00 N ATOM 0 H HIS A 299 4.178 -4.662 -18.272 1.00 0.00 H new ATOM 0 HA HIS A 299 1.620 -5.076 -16.816 1.00 0.00 H new ATOM 0 HB2 HIS A 299 2.806 -6.697 -15.415 1.00 0.00 H new ATOM 0 HB3 HIS A 299 2.943 -7.199 -17.088 1.00 0.00 H new ATOM 0 HD2 HIS A 299 5.446 -4.681 -17.446 1.00 0.00 H new ATOM 0 HE1 HIS A 299 7.557 -7.506 -15.154 1.00 0.00 H new ATOM 0 HE2 HIS A 299 7.826 -5.448 -16.643 1.00 0.00 H new ATOM 521 N VAL A 300 2.322 -3.481 -14.976 1.00 0.00 N ATOM 522 CA VAL A 300 2.724 -2.425 -14.036 1.00 0.00 C ATOM 523 C VAL A 300 4.023 -2.776 -13.297 1.00 0.00 C ATOM 524 O VAL A 300 4.815 -1.886 -12.994 1.00 0.00 O ATOM 525 CB VAL A 300 1.631 -2.149 -13.000 1.00 0.00 C ATOM 526 CG1 VAL A 300 2.133 -1.101 -12.004 1.00 0.00 C ATOM 527 CG2 VAL A 300 0.374 -1.625 -13.698 1.00 0.00 C ATOM 0 H VAL A 300 1.355 -3.793 -14.887 1.00 0.00 H new ATOM 0 HA VAL A 300 2.888 -1.532 -14.640 1.00 0.00 H new ATOM 0 HB VAL A 300 1.390 -3.073 -12.474 1.00 0.00 H new ATOM 0 HG11 VAL A 300 1.358 -0.901 -11.264 1.00 0.00 H new ATOM 0 HG12 VAL A 300 3.026 -1.474 -11.502 1.00 0.00 H new ATOM 0 HG13 VAL A 300 2.373 -0.180 -12.535 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -0.400 -1.431 -12.956 1.00 0.00 H new ATOM 0 HG22 VAL A 300 0.610 -0.702 -14.227 1.00 0.00 H new ATOM 0 HG23 VAL A 300 0.016 -2.369 -14.409 1.00 0.00 H new ATOM 537 N PRO A 301 4.264 -4.032 -12.992 1.00 0.00 N ATOM 538 CA PRO A 301 5.508 -4.403 -12.275 1.00 0.00 C ATOM 539 C PRO A 301 6.730 -3.707 -12.868 1.00 0.00 C ATOM 540 O PRO A 301 7.807 -3.702 -12.273 1.00 0.00 O ATOM 541 CB PRO A 301 5.579 -5.925 -12.450 1.00 0.00 C ATOM 542 CG PRO A 301 4.171 -6.379 -12.724 1.00 0.00 C ATOM 543 CD PRO A 301 3.298 -5.125 -12.850 1.00 0.00 C ATOM 0 HA PRO A 301 5.499 -4.099 -11.228 1.00 0.00 H new ATOM 0 HB2 PRO A 301 6.242 -6.192 -13.273 1.00 0.00 H new ATOM 0 HB3 PRO A 301 5.975 -6.402 -11.554 1.00 0.00 H new ATOM 0 HG2 PRO A 301 4.130 -6.968 -13.640 1.00 0.00 H new ATOM 0 HG3 PRO A 301 3.810 -7.018 -11.918 1.00 0.00 H new ATOM 0 HD2 PRO A 301 2.635 -5.186 -13.713 1.00 0.00 H new ATOM 0 HD3 PRO A 301 2.667 -4.988 -11.972 1.00 0.00 H new ATOM 551 N GLY A 302 6.541 -3.108 -14.039 1.00 0.00 N ATOM 552 CA GLY A 302 7.619 -2.392 -14.710 1.00 0.00 C ATOM 553 C GLY A 302 7.069 -1.158 -15.419 1.00 0.00 C ATOM 554 O GLY A 302 7.591 -0.736 -16.452 1.00 0.00 O ATOM 0 H GLY A 302 5.654 -3.104 -14.542 1.00 0.00 H new ATOM 0 HA2 GLY A 302 8.376 -2.096 -13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 302 8.107 -3.047 -15.431 1.00 0.00 H new ATOM 558 N GLY A 303 6.002 -0.593 -14.860 1.00 0.00 N ATOM 559 CA GLY A 303 5.371 0.584 -15.447 1.00 0.00 C ATOM 560 C GLY A 303 4.453 0.171 -16.590 1.00 0.00 C ATOM 561 O GLY A 303 4.034 0.999 -17.399 1.00 0.00 O ATOM 0 H GLY A 303 5.558 -0.930 -14.005 1.00 0.00 H new ATOM 0 HA2 GLY A 303 4.800 1.117 -14.687 1.00 0.00 H new ATOM 0 HA3 GLY A 303 6.134 1.271 -15.813 1.00 0.00 H new ATOM 565 N GLY A 304 4.161 -1.123 -16.653 1.00 0.00 N ATOM 566 CA GLY A 304 3.307 -1.662 -17.704 1.00 0.00 C ATOM 567 C GLY A 304 1.820 -1.636 -17.313 1.00 0.00 C ATOM 568 O GLY A 304 1.439 -0.995 -16.334 1.00 0.00 O ATOM 0 H GLY A 304 4.503 -1.818 -15.989 1.00 0.00 H new ATOM 0 HA2 GLY A 304 3.451 -1.086 -18.618 1.00 0.00 H new ATOM 0 HA3 GLY A 304 3.606 -2.687 -17.923 1.00 0.00 H new ATOM 572 N SER A 305 0.984 -2.318 -18.107 1.00 0.00 N ATOM 573 CA SER A 305 -0.471 -2.355 -17.869 1.00 0.00 C ATOM 574 C SER A 305 -0.851 -3.156 -16.617 1.00 0.00 C ATOM 575 O SER A 305 -0.086 -3.974 -16.125 1.00 0.00 O ATOM 576 CB SER A 305 -1.180 -2.954 -19.082 1.00 0.00 C ATOM 577 OG SER A 305 -0.739 -2.292 -20.260 1.00 0.00 O ATOM 0 H SER A 305 1.287 -2.853 -18.921 1.00 0.00 H new ATOM 0 HA SER A 305 -0.789 -1.325 -17.707 1.00 0.00 H new ATOM 0 HB2 SER A 305 -0.969 -4.021 -19.150 1.00 0.00 H new ATOM 0 HB3 SER A 305 -2.260 -2.849 -18.975 1.00 0.00 H new ATOM 0 HG SER A 305 -1.500 -2.154 -20.862 1.00 0.00 H new ATOM 583 N VAL A 306 -2.054 -2.896 -16.107 1.00 0.00 N ATOM 584 CA VAL A 306 -2.560 -3.578 -14.912 1.00 0.00 C ATOM 585 C VAL A 306 -2.731 -5.085 -15.136 1.00 0.00 C ATOM 586 O VAL A 306 -3.036 -5.825 -14.200 1.00 0.00 O ATOM 587 CB VAL A 306 -3.904 -2.971 -14.502 1.00 0.00 C ATOM 588 CG1 VAL A 306 -4.999 -3.464 -15.450 1.00 0.00 C ATOM 589 CG2 VAL A 306 -4.242 -3.396 -13.071 1.00 0.00 C ATOM 0 H VAL A 306 -2.701 -2.215 -16.504 1.00 0.00 H new ATOM 0 HA VAL A 306 -1.824 -3.440 -14.120 1.00 0.00 H new ATOM 0 HB VAL A 306 -3.840 -1.884 -14.554 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -5.956 -3.031 -15.157 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -4.761 -3.161 -16.470 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -5.062 -4.551 -15.399 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -5.199 -2.964 -12.779 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -4.304 -4.483 -13.019 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -3.464 -3.045 -12.394 1.00 0.00 H new ATOM 599 N GLN A 307 -2.567 -5.533 -16.375 1.00 0.00 N ATOM 600 CA GLN A 307 -2.736 -6.952 -16.696 1.00 0.00 C ATOM 601 C GLN A 307 -2.015 -7.846 -15.684 1.00 0.00 C ATOM 602 O GLN A 307 -2.350 -9.019 -15.530 1.00 0.00 O ATOM 603 CB GLN A 307 -2.186 -7.234 -18.104 1.00 0.00 C ATOM 604 CG GLN A 307 -0.669 -7.469 -18.040 1.00 0.00 C ATOM 605 CD GLN A 307 -0.081 -7.510 -19.443 1.00 0.00 C ATOM 606 OE1 GLN A 307 -0.813 -7.651 -20.423 1.00 0.00 O ATOM 607 NE2 GLN A 307 1.209 -7.395 -19.598 1.00 0.00 N ATOM 0 H GLN A 307 -2.319 -4.944 -17.170 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.801 -7.179 -16.656 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -2.680 -8.108 -18.528 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -2.404 -6.394 -18.763 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -0.195 -6.675 -17.463 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -0.461 -8.406 -17.524 1.00 0.00 H new ATOM 0 HE21 GLN A 307 1.812 -7.278 -18.784 1.00 0.00 H new ATOM 0 HE22 GLN A 307 1.615 -7.422 -20.533 1.00 0.00 H new ATOM 616 N ILE A 308 -1.008 -7.291 -15.023 1.00 0.00 N ATOM 617 CA ILE A 308 -0.226 -8.056 -14.055 1.00 0.00 C ATOM 618 C ILE A 308 -1.133 -8.914 -13.184 1.00 0.00 C ATOM 619 O ILE A 308 -2.307 -8.601 -12.984 1.00 0.00 O ATOM 620 CB ILE A 308 0.635 -7.095 -13.203 1.00 0.00 C ATOM 621 CG1 ILE A 308 0.588 -7.444 -11.703 1.00 0.00 C ATOM 622 CG2 ILE A 308 0.143 -5.662 -13.386 1.00 0.00 C ATOM 623 CD1 ILE A 308 -0.782 -7.092 -11.094 1.00 0.00 C ATOM 0 H ILE A 308 -0.713 -6.321 -15.136 1.00 0.00 H new ATOM 0 HA ILE A 308 0.441 -8.732 -14.590 1.00 0.00 H new ATOM 0 HB ILE A 308 1.665 -7.198 -13.545 1.00 0.00 H new ATOM 0 HG12 ILE A 308 0.787 -8.507 -11.567 1.00 0.00 H new ATOM 0 HG13 ILE A 308 1.374 -6.903 -11.176 1.00 0.00 H new ATOM 0 HG21 ILE A 308 0.753 -4.988 -12.784 1.00 0.00 H new ATOM 0 HG22 ILE A 308 0.222 -5.382 -14.436 1.00 0.00 H new ATOM 0 HG23 ILE A 308 -0.897 -5.591 -13.069 1.00 0.00 H new ATOM 0 HD11 ILE A 308 -0.786 -7.349 -10.035 1.00 0.00 H new ATOM 0 HD12 ILE A 308 -0.968 -6.024 -11.209 1.00 0.00 H new ATOM 0 HD13 ILE A 308 -1.563 -7.653 -11.607 1.00 0.00 H new ATOM 635 N VAL A 309 -0.571 -10.003 -12.667 1.00 0.00 N ATOM 636 CA VAL A 309 -1.330 -10.909 -11.813 1.00 0.00 C ATOM 637 C VAL A 309 -0.534 -11.284 -10.562 1.00 0.00 C ATOM 638 O VAL A 309 -1.085 -11.850 -9.618 1.00 0.00 O ATOM 639 CB VAL A 309 -1.683 -12.178 -12.590 1.00 0.00 C ATOM 640 CG1 VAL A 309 -2.390 -11.800 -13.893 1.00 0.00 C ATOM 641 CG2 VAL A 309 -0.402 -12.952 -12.911 1.00 0.00 C ATOM 0 H VAL A 309 0.399 -10.277 -12.823 1.00 0.00 H new ATOM 0 HA VAL A 309 -2.242 -10.398 -11.503 1.00 0.00 H new ATOM 0 HB VAL A 309 -2.343 -12.801 -11.987 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -2.641 -12.705 -14.446 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -3.302 -11.249 -13.665 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -1.731 -11.177 -14.497 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -0.653 -13.857 -13.465 1.00 0.00 H new ATOM 0 HG22 VAL A 309 0.258 -12.329 -13.514 1.00 0.00 H new ATOM 0 HG23 VAL A 309 0.102 -13.223 -11.983 1.00 0.00 H new ATOM 651 N TYR A 310 0.768 -10.989 -10.565 1.00 0.00 N ATOM 652 CA TYR A 310 1.622 -11.329 -9.423 1.00 0.00 C ATOM 653 C TYR A 310 2.010 -10.107 -8.588 1.00 0.00 C ATOM 654 O TYR A 310 2.554 -10.259 -7.496 1.00 0.00 O ATOM 655 CB TYR A 310 2.885 -12.041 -9.911 1.00 0.00 C ATOM 656 CG TYR A 310 3.637 -11.149 -10.867 1.00 0.00 C ATOM 657 CD1 TYR A 310 4.541 -10.199 -10.379 1.00 0.00 C ATOM 658 CD2 TYR A 310 3.434 -11.280 -12.246 1.00 0.00 C ATOM 659 CE1 TYR A 310 5.242 -9.379 -11.270 1.00 0.00 C ATOM 660 CE2 TYR A 310 4.134 -10.459 -13.137 1.00 0.00 C ATOM 661 CZ TYR A 310 5.038 -9.509 -12.650 1.00 0.00 C ATOM 662 OH TYR A 310 5.730 -8.703 -13.528 1.00 0.00 O ATOM 0 H TYR A 310 1.249 -10.522 -11.333 1.00 0.00 H new ATOM 0 HA TYR A 310 1.042 -11.989 -8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 310 3.520 -12.297 -9.063 1.00 0.00 H new ATOM 0 HB3 TYR A 310 2.619 -12.976 -10.404 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.698 -10.099 -9.315 1.00 0.00 H new ATOM 0 HD2 TYR A 310 2.737 -12.015 -12.622 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.940 -8.646 -10.894 1.00 0.00 H new ATOM 0 HE2 TYR A 310 3.976 -10.559 -14.201 1.00 0.00 H new ATOM 0 HH TYR A 310 5.197 -8.569 -14.339 1.00 0.00 H new ATOM 672 N LYS A 311 1.733 -8.909 -9.099 1.00 0.00 N ATOM 673 CA LYS A 311 2.065 -7.674 -8.380 1.00 0.00 C ATOM 674 C LYS A 311 3.333 -7.855 -7.527 1.00 0.00 C ATOM 675 O LYS A 311 3.262 -8.384 -6.419 1.00 0.00 O ATOM 676 CB LYS A 311 0.898 -7.268 -7.473 1.00 0.00 C ATOM 677 CG LYS A 311 0.251 -8.516 -6.871 1.00 0.00 C ATOM 678 CD LYS A 311 -0.880 -8.097 -5.929 1.00 0.00 C ATOM 679 CE LYS A 311 -1.266 -9.277 -5.036 1.00 0.00 C ATOM 680 NZ LYS A 311 -0.122 -9.619 -4.144 1.00 0.00 N ATOM 0 H LYS A 311 1.282 -8.764 -10.002 1.00 0.00 H new ATOM 0 HA LYS A 311 2.249 -6.893 -9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 311 1.254 -6.613 -6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 311 0.160 -6.704 -8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 311 -0.139 -9.155 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 311 0.995 -9.099 -6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 311 -0.563 -7.253 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 311 -1.744 -7.766 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 311 -2.143 -9.024 -4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 311 -1.534 -10.138 -5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 -0.453 -9.669 -3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 0.273 -10.539 -4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 0.613 -8.887 -4.226 1.00 0.00 H new ATOM 694 N PRO A 312 4.486 -7.449 -8.015 1.00 0.00 N ATOM 695 CA PRO A 312 5.749 -7.622 -7.242 1.00 0.00 C ATOM 696 C PRO A 312 5.625 -7.105 -5.810 1.00 0.00 C ATOM 697 O PRO A 312 6.433 -7.500 -4.986 1.00 0.00 O ATOM 698 CB PRO A 312 6.759 -6.802 -8.034 1.00 0.00 C ATOM 699 CG PRO A 312 5.969 -5.668 -8.590 1.00 0.00 C ATOM 700 CD PRO A 312 4.532 -6.175 -8.768 1.00 0.00 C ATOM 701 OXT PRO A 312 4.723 -6.322 -5.561 1.00 0.00 O ATOM 0 HA PRO A 312 6.029 -8.670 -7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 312 7.568 -6.446 -7.396 1.00 0.00 H new ATOM 0 HB3 PRO A 312 7.215 -7.394 -8.827 1.00 0.00 H new ATOM 0 HG2 PRO A 312 5.996 -4.811 -7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 312 6.384 -5.338 -9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 312 3.808 -5.459 -8.379 1.00 0.00 H new ATOM 0 HD3 PRO A 312 4.294 -6.328 -9.821 1.00 0.00 H new TER 709 PRO A 312