USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=16 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 288 GLN : amide:sc= -9.04! C(o=-13!,f=-16!) USER MOD Set 1.2: A 296 ASN : amide:sc= -4.2! C(o=-13!,f=-17!) USER MOD Set 2.1: A 269 GLN :FLIP amide:sc= -7.6! C(o=-16!,f=-13!) USER MOD Set 2.2: A 286 ASN :FLIP amide:sc= -5.61! C(o=-27!,f=-13!) USER MOD Single : A 267 LYS NZ :NH3+ 161:sc= -0.0765 (180deg=-0.808) USER MOD Single : A 268 HIS :FLIP no HE2:sc= -1.44 F(o=-2.9!,f=-1.4) USER MOD Single : A 274 LYS NZ :NH3+ -162:sc= -0.0282 (180deg=-0.443) USER MOD Single : A 276 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 279 ASN : amide:sc= -5.18! C(o=-5.2!,f=-5.5!) USER MOD Single : A 280 LYS NZ :NH3+ -166:sc= -0.354 (180deg=-0.92!) USER MOD Single : A 281 LYS NZ :NH3+ 155:sc= -4.01! (180deg=-5.2!) USER MOD Single : A 285 SER OG : rot 180:sc= -0.283 USER MOD Single : A 289 SER OG : rot -56:sc= 0.212 USER MOD Single : A 290 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 CYS SG : rot 180:sc= 0 USER MOD Single : A 293 SER OG : rot 160:sc= -0.358 USER MOD Single : A 294 LYS NZ :NH3+ -167:sc=-0.00977 (180deg=-0.237) USER MOD Single : A 298 LYS NZ :NH3+ 155:sc= -2.7! (180deg=-4.76!) USER MOD Single : A 299 HIS : no HD1:sc= -6.99! C(o=-7!,f=-9.7!) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= -3.44! C(o=-3.4!,f=-4.7!) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ -121:sc= -1.17 (180deg=-3.15!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 11.929 6.479 -36.583 1.00 0.00 N ATOM 2 CA LYS A 267 11.234 5.297 -37.078 1.00 0.00 C ATOM 3 C LYS A 267 9.741 5.397 -36.774 1.00 0.00 C ATOM 4 O LYS A 267 9.103 6.407 -37.073 1.00 0.00 O ATOM 5 CB LYS A 267 11.808 4.041 -36.415 1.00 0.00 C ATOM 6 CG LYS A 267 11.378 2.792 -37.194 1.00 0.00 C ATOM 7 CD LYS A 267 12.350 2.544 -38.350 1.00 0.00 C ATOM 8 CE LYS A 267 11.971 1.247 -39.067 1.00 0.00 C ATOM 9 NZ LYS A 267 10.519 1.266 -39.395 1.00 0.00 N ATOM 0 HA LYS A 267 11.374 5.234 -38.157 1.00 0.00 H new ATOM 0 HB2 LYS A 267 12.896 4.102 -36.382 1.00 0.00 H new ATOM 0 HB3 LYS A 267 11.461 3.974 -35.384 1.00 0.00 H new ATOM 0 HG2 LYS A 267 11.358 1.927 -36.531 1.00 0.00 H new ATOM 0 HG3 LYS A 267 10.366 2.922 -37.578 1.00 0.00 H new ATOM 0 HD2 LYS A 267 12.321 3.380 -39.049 1.00 0.00 H new ATOM 0 HD3 LYS A 267 13.371 2.479 -37.973 1.00 0.00 H new ATOM 0 HE2 LYS A 267 12.559 1.138 -39.978 1.00 0.00 H new ATOM 0 HE3 LYS A 267 12.201 0.389 -38.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 10.323 0.569 -40.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 9.968 1.029 -38.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 10.251 2.214 -39.728 1.00 0.00 H new ATOM 23 N HIS A 268 9.195 4.351 -36.165 1.00 0.00 N ATOM 24 CA HIS A 268 7.783 4.330 -35.807 1.00 0.00 C ATOM 25 C HIS A 268 7.602 4.963 -34.438 1.00 0.00 C ATOM 26 O HIS A 268 6.499 5.344 -34.047 1.00 0.00 O ATOM 27 CB HIS A 268 7.272 2.888 -35.785 1.00 0.00 C ATOM 28 CG HIS A 268 5.849 2.867 -35.299 1.00 0.00 C ATOM 29 ND1 HIS A 268 4.868 3.825 -35.302 1.00 0.00 N flip ATOM 30 CD2 HIS A 268 5.281 1.744 -34.719 1.00 0.00 C flip ATOM 31 CE1 HIS A 268 3.707 3.309 -34.734 1.00 0.00 C flip ATOM 32 NE2 HIS A 268 4.011 2.053 -34.399 1.00 0.00 N flip ATOM 0 H HIS A 268 9.708 3.508 -35.909 1.00 0.00 H new ATOM 0 HA HIS A 268 7.214 4.894 -36.546 1.00 0.00 H new ATOM 0 HB2 HIS A 268 7.333 2.454 -36.783 1.00 0.00 H new ATOM 0 HB3 HIS A 268 7.899 2.279 -35.134 1.00 0.00 H new ATOM 0 HD1 HIS A 268 4.973 4.772 -35.665 1.00 0.00 H new ATOM 0 HD2 HIS A 268 5.768 0.794 -34.554 1.00 0.00 H new ATOM 0 HE1 HIS A 268 2.763 3.816 -34.594 1.00 0.00 H new ATOM 41 N GLN A 269 8.706 5.049 -33.711 1.00 0.00 N ATOM 42 CA GLN A 269 8.702 5.608 -32.372 1.00 0.00 C ATOM 43 C GLN A 269 7.823 6.861 -32.276 1.00 0.00 C ATOM 44 O GLN A 269 7.166 7.076 -31.257 1.00 0.00 O ATOM 45 CB GLN A 269 10.141 5.919 -31.936 1.00 0.00 C ATOM 46 CG GLN A 269 10.919 4.604 -31.816 1.00 0.00 C ATOM 47 CD GLN A 269 12.410 4.887 -31.660 1.00 0.00 C ATOM 48 OE1 GLN A 269 12.927 4.981 -30.465 1.00 0.00 O flip ATOM 49 NE2 GLN A 269 13.123 5.027 -32.653 1.00 0.00 N flip ATOM 0 H GLN A 269 9.622 4.735 -34.031 1.00 0.00 H new ATOM 0 HA GLN A 269 8.273 4.866 -31.698 1.00 0.00 H new ATOM 0 HB2 GLN A 269 10.621 6.576 -32.661 1.00 0.00 H new ATOM 0 HB3 GLN A 269 10.140 6.445 -30.981 1.00 0.00 H new ATOM 0 HG2 GLN A 269 10.558 4.036 -30.959 1.00 0.00 H new ATOM 0 HG3 GLN A 269 10.748 3.990 -32.700 1.00 0.00 H new ATOM 0 HE21 GLN A 269 12.718 4.953 -33.586 1.00 0.00 H new ATOM 0 HE22 GLN A 269 14.119 5.217 -32.543 1.00 0.00 H new ATOM 58 N PRO A 270 7.788 7.692 -33.291 1.00 0.00 N ATOM 59 CA PRO A 270 6.951 8.917 -33.225 1.00 0.00 C ATOM 60 C PRO A 270 5.631 8.757 -33.978 1.00 0.00 C ATOM 61 O PRO A 270 5.581 8.122 -35.032 1.00 0.00 O ATOM 62 CB PRO A 270 7.840 9.986 -33.884 1.00 0.00 C ATOM 63 CG PRO A 270 8.915 9.234 -34.625 1.00 0.00 C ATOM 64 CD PRO A 270 8.565 7.750 -34.529 1.00 0.00 C ATOM 0 HA PRO A 270 6.658 9.165 -32.205 1.00 0.00 H new ATOM 0 HB2 PRO A 270 7.260 10.610 -34.565 1.00 0.00 H new ATOM 0 HB3 PRO A 270 8.273 10.649 -33.135 1.00 0.00 H new ATOM 0 HG2 PRO A 270 8.962 9.553 -35.666 1.00 0.00 H new ATOM 0 HG3 PRO A 270 9.894 9.429 -34.188 1.00 0.00 H new ATOM 0 HD2 PRO A 270 7.986 7.412 -35.389 1.00 0.00 H new ATOM 0 HD3 PRO A 270 9.456 7.124 -34.479 1.00 0.00 H new ATOM 72 N GLY A 271 4.571 9.348 -33.434 1.00 0.00 N ATOM 73 CA GLY A 271 3.255 9.278 -34.062 1.00 0.00 C ATOM 74 C GLY A 271 3.057 7.950 -34.784 1.00 0.00 C ATOM 75 O GLY A 271 2.871 6.910 -34.154 1.00 0.00 O ATOM 0 H GLY A 271 4.597 9.879 -32.563 1.00 0.00 H new ATOM 0 HA2 GLY A 271 2.481 9.402 -33.305 1.00 0.00 H new ATOM 0 HA3 GLY A 271 3.143 10.100 -34.770 1.00 0.00 H new ATOM 79 N GLY A 272 3.099 7.996 -36.114 1.00 0.00 N ATOM 80 CA GLY A 272 2.922 6.791 -36.919 1.00 0.00 C ATOM 81 C GLY A 272 3.888 6.774 -38.100 1.00 0.00 C ATOM 82 O GLY A 272 3.480 6.949 -39.248 1.00 0.00 O ATOM 0 H GLY A 272 3.253 8.848 -36.653 1.00 0.00 H new ATOM 0 HA2 GLY A 272 3.084 5.909 -36.300 1.00 0.00 H new ATOM 0 HA3 GLY A 272 1.896 6.741 -37.283 1.00 0.00 H new ATOM 86 N GLY A 273 5.169 6.564 -37.814 1.00 0.00 N ATOM 87 CA GLY A 273 6.179 6.530 -38.866 1.00 0.00 C ATOM 88 C GLY A 273 6.515 7.939 -39.337 1.00 0.00 C ATOM 89 O GLY A 273 6.804 8.160 -40.513 1.00 0.00 O ATOM 0 H GLY A 273 5.530 6.416 -36.872 1.00 0.00 H new ATOM 0 HA2 GLY A 273 7.080 6.041 -38.496 1.00 0.00 H new ATOM 0 HA3 GLY A 273 5.816 5.937 -39.706 1.00 0.00 H new ATOM 93 N LYS A 274 6.467 8.890 -38.411 1.00 0.00 N ATOM 94 CA LYS A 274 6.759 10.279 -38.742 1.00 0.00 C ATOM 95 C LYS A 274 8.261 10.541 -38.739 1.00 0.00 C ATOM 96 O LYS A 274 9.011 9.944 -37.965 1.00 0.00 O ATOM 97 CB LYS A 274 6.077 11.208 -37.736 1.00 0.00 C ATOM 98 CG LYS A 274 4.557 11.063 -37.857 1.00 0.00 C ATOM 99 CD LYS A 274 3.873 12.078 -36.939 1.00 0.00 C ATOM 100 CE LYS A 274 2.359 11.856 -36.973 1.00 0.00 C ATOM 101 NZ LYS A 274 1.855 12.087 -38.356 1.00 0.00 N ATOM 0 H LYS A 274 6.230 8.726 -37.432 1.00 0.00 H new ATOM 0 HA LYS A 274 6.376 10.475 -39.743 1.00 0.00 H new ATOM 0 HB2 LYS A 274 6.397 10.963 -36.723 1.00 0.00 H new ATOM 0 HB3 LYS A 274 6.371 12.241 -37.922 1.00 0.00 H new ATOM 0 HG2 LYS A 274 4.247 11.224 -38.889 1.00 0.00 H new ATOM 0 HG3 LYS A 274 4.255 10.051 -37.587 1.00 0.00 H new ATOM 0 HD2 LYS A 274 4.244 11.971 -35.920 1.00 0.00 H new ATOM 0 HD3 LYS A 274 4.110 13.092 -37.260 1.00 0.00 H new ATOM 0 HE2 LYS A 274 2.122 10.841 -36.653 1.00 0.00 H new ATOM 0 HE3 LYS A 274 1.865 12.534 -36.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 0.827 12.239 -38.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 2.319 12.926 -38.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 2.067 11.257 -38.946 1.00 0.00 H new ATOM 115 N VAL A 275 8.687 11.447 -39.611 1.00 0.00 N ATOM 116 CA VAL A 275 10.097 11.808 -39.717 1.00 0.00 C ATOM 117 C VAL A 275 10.576 12.442 -38.417 1.00 0.00 C ATOM 118 O VAL A 275 11.771 12.667 -38.223 1.00 0.00 O ATOM 119 CB VAL A 275 10.300 12.791 -40.872 1.00 0.00 C ATOM 120 CG1 VAL A 275 9.722 12.195 -42.156 1.00 0.00 C ATOM 121 CG2 VAL A 275 9.586 14.106 -40.553 1.00 0.00 C ATOM 0 H VAL A 275 8.075 11.947 -40.257 1.00 0.00 H new ATOM 0 HA VAL A 275 10.676 10.904 -39.908 1.00 0.00 H new ATOM 0 HB VAL A 275 11.365 12.979 -41.007 1.00 0.00 H new ATOM 0 HG11 VAL A 275 9.866 12.895 -42.979 1.00 0.00 H new ATOM 0 HG12 VAL A 275 10.230 11.258 -42.383 1.00 0.00 H new ATOM 0 HG13 VAL A 275 8.657 12.007 -42.022 1.00 0.00 H new ATOM 0 HG21 VAL A 275 9.730 14.807 -41.375 1.00 0.00 H new ATOM 0 HG22 VAL A 275 8.521 13.918 -40.419 1.00 0.00 H new ATOM 0 HG23 VAL A 275 9.998 14.531 -39.638 1.00 0.00 H new ATOM 131 N GLN A 276 9.628 12.723 -37.531 1.00 0.00 N ATOM 132 CA GLN A 276 9.935 13.331 -36.241 1.00 0.00 C ATOM 133 C GLN A 276 10.930 12.485 -35.443 1.00 0.00 C ATOM 134 O GLN A 276 11.128 12.715 -34.251 1.00 0.00 O ATOM 135 CB GLN A 276 8.648 13.500 -35.432 1.00 0.00 C ATOM 136 CG GLN A 276 7.706 14.457 -36.165 1.00 0.00 C ATOM 137 CD GLN A 276 6.399 14.596 -35.392 1.00 0.00 C ATOM 138 OE1 GLN A 276 6.103 13.780 -34.518 1.00 0.00 O ATOM 139 NE2 GLN A 276 5.593 15.587 -35.662 1.00 0.00 N ATOM 0 H GLN A 276 8.636 12.539 -37.683 1.00 0.00 H new ATOM 0 HA GLN A 276 10.390 14.304 -36.429 1.00 0.00 H new ATOM 0 HB2 GLN A 276 8.164 12.533 -35.292 1.00 0.00 H new ATOM 0 HB3 GLN A 276 8.878 13.888 -34.440 1.00 0.00 H new ATOM 0 HG2 GLN A 276 8.179 15.433 -36.275 1.00 0.00 H new ATOM 0 HG3 GLN A 276 7.506 14.085 -37.170 1.00 0.00 H new ATOM 0 HE21 GLN A 276 5.839 16.262 -36.386 1.00 0.00 H new ATOM 0 HE22 GLN A 276 4.717 15.686 -35.149 1.00 0.00 H new ATOM 148 N ILE A 277 11.546 11.502 -36.096 1.00 0.00 N ATOM 149 CA ILE A 277 12.503 10.633 -35.422 1.00 0.00 C ATOM 150 C ILE A 277 13.426 11.442 -34.518 1.00 0.00 C ATOM 151 O ILE A 277 14.014 10.904 -33.583 1.00 0.00 O ATOM 152 CB ILE A 277 13.340 9.880 -36.458 1.00 0.00 C ATOM 153 CG1 ILE A 277 14.058 8.707 -35.784 1.00 0.00 C ATOM 154 CG2 ILE A 277 14.377 10.829 -37.062 1.00 0.00 C ATOM 155 CD1 ILE A 277 14.654 7.791 -36.855 1.00 0.00 C ATOM 0 H ILE A 277 11.400 11.290 -37.083 1.00 0.00 H new ATOM 0 HA ILE A 277 11.947 9.922 -34.810 1.00 0.00 H new ATOM 0 HB ILE A 277 12.687 9.503 -37.245 1.00 0.00 H new ATOM 0 HG12 ILE A 277 14.845 9.077 -35.128 1.00 0.00 H new ATOM 0 HG13 ILE A 277 13.360 8.149 -35.160 1.00 0.00 H new ATOM 0 HG21 ILE A 277 14.974 10.293 -37.800 1.00 0.00 H new ATOM 0 HG22 ILE A 277 13.869 11.665 -37.543 1.00 0.00 H new ATOM 0 HG23 ILE A 277 15.028 11.206 -36.273 1.00 0.00 H new ATOM 0 HD11 ILE A 277 15.165 6.956 -36.376 1.00 0.00 H new ATOM 0 HD12 ILE A 277 13.856 7.410 -37.493 1.00 0.00 H new ATOM 0 HD13 ILE A 277 15.365 8.353 -37.460 1.00 0.00 H new ATOM 167 N ILE A 278 13.550 12.735 -34.792 1.00 0.00 N ATOM 168 CA ILE A 278 14.408 13.584 -33.976 1.00 0.00 C ATOM 169 C ILE A 278 14.018 13.456 -32.507 1.00 0.00 C ATOM 170 O ILE A 278 14.840 13.658 -31.614 1.00 0.00 O ATOM 171 CB ILE A 278 14.293 15.043 -34.433 1.00 0.00 C ATOM 172 CG1 ILE A 278 12.900 15.592 -34.100 1.00 0.00 C ATOM 173 CG2 ILE A 278 14.518 15.122 -35.943 1.00 0.00 C ATOM 174 CD1 ILE A 278 12.805 17.047 -34.563 1.00 0.00 C ATOM 0 H ILE A 278 13.076 13.212 -35.559 1.00 0.00 H new ATOM 0 HA ILE A 278 15.443 13.263 -34.094 1.00 0.00 H new ATOM 0 HB ILE A 278 15.045 15.637 -33.915 1.00 0.00 H new ATOM 0 HG12 ILE A 278 12.133 14.992 -34.590 1.00 0.00 H new ATOM 0 HG13 ILE A 278 12.718 15.527 -33.027 1.00 0.00 H new ATOM 0 HG21 ILE A 278 14.436 16.159 -36.269 1.00 0.00 H new ATOM 0 HG22 ILE A 278 15.511 14.743 -36.183 1.00 0.00 H new ATOM 0 HG23 ILE A 278 13.767 14.520 -36.455 1.00 0.00 H new ATOM 0 HD11 ILE A 278 11.816 17.440 -34.328 1.00 0.00 H new ATOM 0 HD12 ILE A 278 13.563 17.642 -34.052 1.00 0.00 H new ATOM 0 HD13 ILE A 278 12.969 17.098 -35.639 1.00 0.00 H new ATOM 186 N ASN A 279 12.754 13.108 -32.271 1.00 0.00 N ATOM 187 CA ASN A 279 12.246 12.937 -30.913 1.00 0.00 C ATOM 188 C ASN A 279 11.833 11.487 -30.675 1.00 0.00 C ATOM 189 O ASN A 279 10.822 11.215 -30.029 1.00 0.00 O ATOM 190 CB ASN A 279 11.053 13.866 -30.674 1.00 0.00 C ATOM 191 CG ASN A 279 9.951 13.584 -31.689 1.00 0.00 C ATOM 192 OD1 ASN A 279 9.443 14.509 -32.322 1.00 0.00 O ATOM 193 ND2 ASN A 279 9.546 12.360 -31.882 1.00 0.00 N ATOM 0 H ASN A 279 12.064 12.939 -33.003 1.00 0.00 H new ATOM 0 HA ASN A 279 13.041 13.193 -30.213 1.00 0.00 H new ATOM 0 HB2 ASN A 279 10.670 13.725 -29.663 1.00 0.00 H new ATOM 0 HB3 ASN A 279 11.371 14.905 -30.752 1.00 0.00 H new ATOM 0 HD21 ASN A 279 8.807 12.168 -32.558 1.00 0.00 H new ATOM 0 HD22 ASN A 279 9.968 11.594 -31.357 1.00 0.00 H new ATOM 200 N LYS A 280 12.614 10.562 -31.219 1.00 0.00 N ATOM 201 CA LYS A 280 12.322 9.140 -31.076 1.00 0.00 C ATOM 202 C LYS A 280 12.351 8.700 -29.610 1.00 0.00 C ATOM 203 O LYS A 280 11.824 7.642 -29.267 1.00 0.00 O ATOM 204 CB LYS A 280 13.323 8.315 -31.902 1.00 0.00 C ATOM 205 CG LYS A 280 14.670 8.183 -31.173 1.00 0.00 C ATOM 206 CD LYS A 280 15.285 9.567 -30.953 1.00 0.00 C ATOM 207 CE LYS A 280 16.708 9.412 -30.412 1.00 0.00 C ATOM 208 NZ LYS A 280 16.814 8.136 -29.650 1.00 0.00 N ATOM 0 H LYS A 280 13.452 10.769 -31.762 1.00 0.00 H new ATOM 0 HA LYS A 280 11.313 8.965 -31.450 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.911 7.324 -32.093 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.476 8.789 -32.872 1.00 0.00 H new ATOM 0 HG2 LYS A 280 14.527 7.683 -30.215 1.00 0.00 H new ATOM 0 HG3 LYS A 280 15.350 7.563 -31.757 1.00 0.00 H new ATOM 0 HD2 LYS A 280 15.299 10.124 -31.890 1.00 0.00 H new ATOM 0 HD3 LYS A 280 14.678 10.139 -30.251 1.00 0.00 H new ATOM 0 HE2 LYS A 280 17.424 9.417 -31.234 1.00 0.00 H new ATOM 0 HE3 LYS A 280 16.957 10.255 -29.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 17.690 8.138 -29.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 15.996 8.042 -29.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 16.830 7.336 -30.314 1.00 0.00 H new ATOM 222 N LYS A 281 12.988 9.495 -28.753 1.00 0.00 N ATOM 223 CA LYS A 281 13.091 9.141 -27.339 1.00 0.00 C ATOM 224 C LYS A 281 11.715 8.950 -26.702 1.00 0.00 C ATOM 225 O LYS A 281 11.586 8.256 -25.693 1.00 0.00 O ATOM 226 CB LYS A 281 13.906 10.199 -26.572 1.00 0.00 C ATOM 227 CG LYS A 281 13.084 11.473 -26.317 1.00 0.00 C ATOM 228 CD LYS A 281 12.816 12.194 -27.638 1.00 0.00 C ATOM 229 CE LYS A 281 12.454 13.656 -27.353 1.00 0.00 C ATOM 230 NZ LYS A 281 11.134 13.715 -26.664 1.00 0.00 N ATOM 0 H LYS A 281 13.435 10.376 -29.007 1.00 0.00 H new ATOM 0 HA LYS A 281 13.615 8.187 -27.276 1.00 0.00 H new ATOM 0 HB2 LYS A 281 14.238 9.783 -25.621 1.00 0.00 H new ATOM 0 HB3 LYS A 281 14.802 10.451 -27.140 1.00 0.00 H new ATOM 0 HG2 LYS A 281 12.141 11.217 -25.835 1.00 0.00 H new ATOM 0 HG3 LYS A 281 13.621 12.132 -25.636 1.00 0.00 H new ATOM 0 HD2 LYS A 281 13.697 12.144 -28.278 1.00 0.00 H new ATOM 0 HD3 LYS A 281 12.003 11.704 -28.175 1.00 0.00 H new ATOM 0 HE2 LYS A 281 13.222 14.118 -26.732 1.00 0.00 H new ATOM 0 HE3 LYS A 281 12.416 14.221 -28.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 11.072 14.591 -26.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 10.372 13.701 -27.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 11.035 12.895 -26.032 1.00 0.00 H new ATOM 244 N LEU A 282 10.689 9.563 -27.285 1.00 0.00 N ATOM 245 CA LEU A 282 9.340 9.436 -26.741 1.00 0.00 C ATOM 246 C LEU A 282 8.932 7.967 -26.655 1.00 0.00 C ATOM 247 O LEU A 282 8.275 7.551 -25.700 1.00 0.00 O ATOM 248 CB LEU A 282 8.343 10.195 -27.621 1.00 0.00 C ATOM 249 CG LEU A 282 8.722 11.677 -27.679 1.00 0.00 C ATOM 250 CD1 LEU A 282 7.710 12.427 -28.548 1.00 0.00 C ATOM 251 CD2 LEU A 282 8.711 12.269 -26.265 1.00 0.00 C ATOM 0 H LEU A 282 10.762 10.144 -28.120 1.00 0.00 H new ATOM 0 HA LEU A 282 9.334 9.863 -25.738 1.00 0.00 H new ATOM 0 HB2 LEU A 282 8.337 9.773 -28.626 1.00 0.00 H new ATOM 0 HB3 LEU A 282 7.335 10.084 -27.222 1.00 0.00 H new ATOM 0 HG LEU A 282 9.720 11.777 -28.106 1.00 0.00 H new ATOM 0 HD11 LEU A 282 7.978 13.483 -28.590 1.00 0.00 H new ATOM 0 HD12 LEU A 282 7.716 12.010 -29.555 1.00 0.00 H new ATOM 0 HD13 LEU A 282 6.714 12.323 -28.118 1.00 0.00 H new ATOM 0 HD21 LEU A 282 8.981 13.324 -26.310 1.00 0.00 H new ATOM 0 HD22 LEU A 282 7.714 12.168 -25.836 1.00 0.00 H new ATOM 0 HD23 LEU A 282 9.430 11.737 -25.642 1.00 0.00 H new ATOM 263 N ASP A 283 9.331 7.183 -27.652 1.00 0.00 N ATOM 264 CA ASP A 283 9.010 5.755 -27.675 1.00 0.00 C ATOM 265 C ASP A 283 10.275 4.929 -27.881 1.00 0.00 C ATOM 266 O ASP A 283 10.925 5.025 -28.920 1.00 0.00 O ATOM 267 CB ASP A 283 8.012 5.458 -28.796 1.00 0.00 C ATOM 268 CG ASP A 283 6.646 6.040 -28.447 1.00 0.00 C ATOM 269 OD1 ASP A 283 6.476 6.465 -27.316 1.00 0.00 O ATOM 270 OD2 ASP A 283 5.789 6.051 -29.316 1.00 0.00 O ATOM 0 H ASP A 283 9.874 7.508 -28.452 1.00 0.00 H new ATOM 0 HA ASP A 283 8.564 5.486 -26.717 1.00 0.00 H new ATOM 0 HB2 ASP A 283 8.369 5.884 -29.734 1.00 0.00 H new ATOM 0 HB3 ASP A 283 7.930 4.381 -28.945 1.00 0.00 H new ATOM 275 N LEU A 284 10.617 4.116 -26.888 1.00 0.00 N ATOM 276 CA LEU A 284 11.806 3.276 -26.977 1.00 0.00 C ATOM 277 C LEU A 284 11.502 2.002 -27.762 1.00 0.00 C ATOM 278 O LEU A 284 12.295 1.061 -27.766 1.00 0.00 O ATOM 279 CB LEU A 284 12.314 2.919 -25.571 1.00 0.00 C ATOM 280 CG LEU A 284 11.258 2.090 -24.802 1.00 0.00 C ATOM 281 CD1 LEU A 284 11.933 0.901 -24.105 1.00 0.00 C ATOM 282 CD2 LEU A 284 10.580 2.966 -23.741 1.00 0.00 C ATOM 0 H LEU A 284 10.093 4.021 -26.018 1.00 0.00 H new ATOM 0 HA LEU A 284 12.582 3.833 -27.501 1.00 0.00 H new ATOM 0 HB2 LEU A 284 13.243 2.353 -25.647 1.00 0.00 H new ATOM 0 HB3 LEU A 284 12.541 3.831 -25.018 1.00 0.00 H new ATOM 0 HG LEU A 284 10.514 1.727 -25.511 1.00 0.00 H new ATOM 0 HD11 LEU A 284 11.183 0.322 -23.566 1.00 0.00 H new ATOM 0 HD12 LEU A 284 12.414 0.267 -24.850 1.00 0.00 H new ATOM 0 HD13 LEU A 284 12.682 1.268 -23.403 1.00 0.00 H new ATOM 0 HD21 LEU A 284 9.838 2.377 -23.203 1.00 0.00 H new ATOM 0 HD22 LEU A 284 11.329 3.334 -23.040 1.00 0.00 H new ATOM 0 HD23 LEU A 284 10.091 3.811 -24.225 1.00 0.00 H new ATOM 294 N SER A 285 10.339 1.974 -28.408 1.00 0.00 N ATOM 295 CA SER A 285 9.925 0.802 -29.172 1.00 0.00 C ATOM 296 C SER A 285 11.071 0.257 -30.013 1.00 0.00 C ATOM 297 O SER A 285 11.203 -0.956 -30.175 1.00 0.00 O ATOM 298 CB SER A 285 8.755 1.166 -30.085 1.00 0.00 C ATOM 299 OG SER A 285 9.206 2.063 -31.091 1.00 0.00 O ATOM 0 H SER A 285 9.671 2.745 -28.418 1.00 0.00 H new ATOM 0 HA SER A 285 9.619 0.031 -28.465 1.00 0.00 H new ATOM 0 HB2 SER A 285 8.342 0.267 -30.542 1.00 0.00 H new ATOM 0 HB3 SER A 285 7.955 1.625 -29.504 1.00 0.00 H new ATOM 0 HG SER A 285 8.458 2.297 -31.680 1.00 0.00 H new ATOM 305 N ASN A 286 11.907 1.142 -30.541 1.00 0.00 N ATOM 306 CA ASN A 286 13.032 0.694 -31.346 1.00 0.00 C ATOM 307 C ASN A 286 13.980 -0.149 -30.498 1.00 0.00 C ATOM 308 O ASN A 286 14.470 -1.188 -30.940 1.00 0.00 O ATOM 309 CB ASN A 286 13.782 1.896 -31.927 1.00 0.00 C ATOM 310 CG ASN A 286 14.308 2.789 -30.806 1.00 0.00 C ATOM 311 OD1 ASN A 286 13.692 2.812 -29.656 1.00 0.00 O flip ATOM 312 ND2 ASN A 286 15.304 3.489 -30.987 1.00 0.00 N flip ATOM 0 H ASN A 286 11.830 2.153 -30.429 1.00 0.00 H new ATOM 0 HA ASN A 286 12.652 0.086 -32.167 1.00 0.00 H new ATOM 0 HB2 ASN A 286 14.611 1.551 -32.545 1.00 0.00 H new ATOM 0 HB3 ASN A 286 13.118 2.468 -32.575 1.00 0.00 H new ATOM 0 HD21 ASN A 286 15.784 3.470 -31.887 1.00 0.00 H new ATOM 0 HD22 ASN A 286 15.649 4.088 -30.237 1.00 0.00 H new ATOM 319 N VAL A 287 14.225 0.305 -29.272 1.00 0.00 N ATOM 320 CA VAL A 287 15.105 -0.411 -28.356 1.00 0.00 C ATOM 321 C VAL A 287 14.442 -1.682 -27.832 1.00 0.00 C ATOM 322 O VAL A 287 15.110 -2.691 -27.605 1.00 0.00 O ATOM 323 CB VAL A 287 15.479 0.490 -27.180 1.00 0.00 C ATOM 324 CG1 VAL A 287 16.281 -0.314 -26.154 1.00 0.00 C ATOM 325 CG2 VAL A 287 16.327 1.660 -27.684 1.00 0.00 C ATOM 0 H VAL A 287 13.827 1.164 -28.891 1.00 0.00 H new ATOM 0 HA VAL A 287 16.004 -0.692 -28.905 1.00 0.00 H new ATOM 0 HB VAL A 287 14.571 0.872 -26.713 1.00 0.00 H new ATOM 0 HG11 VAL A 287 16.547 0.329 -25.315 1.00 0.00 H new ATOM 0 HG12 VAL A 287 15.679 -1.148 -25.794 1.00 0.00 H new ATOM 0 HG13 VAL A 287 17.189 -0.696 -26.621 1.00 0.00 H new ATOM 0 HG21 VAL A 287 16.594 2.303 -26.846 1.00 0.00 H new ATOM 0 HG22 VAL A 287 17.234 1.277 -28.151 1.00 0.00 H new ATOM 0 HG23 VAL A 287 15.757 2.234 -28.415 1.00 0.00 H new ATOM 335 N GLN A 288 13.129 -1.622 -27.619 1.00 0.00 N ATOM 336 CA GLN A 288 12.401 -2.775 -27.097 1.00 0.00 C ATOM 337 C GLN A 288 12.621 -3.993 -27.983 1.00 0.00 C ATOM 338 O GLN A 288 12.856 -5.090 -27.483 1.00 0.00 O ATOM 339 CB GLN A 288 10.905 -2.458 -27.026 1.00 0.00 C ATOM 340 CG GLN A 288 10.679 -1.298 -26.056 1.00 0.00 C ATOM 341 CD GLN A 288 9.187 -1.043 -25.871 1.00 0.00 C ATOM 342 OE1 GLN A 288 8.494 -1.838 -25.238 1.00 0.00 O ATOM 343 NE2 GLN A 288 8.647 0.028 -26.383 1.00 0.00 N ATOM 0 H GLN A 288 12.554 -0.798 -27.797 1.00 0.00 H new ATOM 0 HA GLN A 288 12.775 -2.995 -26.097 1.00 0.00 H new ATOM 0 HB2 GLN A 288 10.529 -2.198 -28.016 1.00 0.00 H new ATOM 0 HB3 GLN A 288 10.351 -3.337 -26.696 1.00 0.00 H new ATOM 0 HG2 GLN A 288 11.138 -1.526 -25.094 1.00 0.00 H new ATOM 0 HG3 GLN A 288 11.164 -0.399 -26.435 1.00 0.00 H new ATOM 0 HE21 GLN A 288 9.221 0.688 -26.908 1.00 0.00 H new ATOM 0 HE22 GLN A 288 7.650 0.206 -26.258 1.00 0.00 H new ATOM 352 N SER A 289 12.571 -3.770 -29.295 1.00 0.00 N ATOM 353 CA SER A 289 12.781 -4.829 -30.287 1.00 0.00 C ATOM 354 C SER A 289 12.519 -6.230 -29.724 1.00 0.00 C ATOM 355 O SER A 289 13.194 -7.187 -30.101 1.00 0.00 O ATOM 356 CB SER A 289 14.216 -4.751 -30.801 1.00 0.00 C ATOM 357 OG SER A 289 14.315 -5.457 -32.031 1.00 0.00 O ATOM 0 H SER A 289 12.384 -2.854 -29.702 1.00 0.00 H new ATOM 0 HA SER A 289 12.066 -4.668 -31.094 1.00 0.00 H new ATOM 0 HB2 SER A 289 14.508 -3.710 -30.942 1.00 0.00 H new ATOM 0 HB3 SER A 289 14.901 -5.178 -30.068 1.00 0.00 H new ATOM 0 HG SER A 289 14.004 -6.378 -31.906 1.00 0.00 H new ATOM 363 N LYS A 290 11.543 -6.350 -28.828 1.00 0.00 N ATOM 364 CA LYS A 290 11.219 -7.648 -28.238 1.00 0.00 C ATOM 365 C LYS A 290 9.724 -7.764 -27.956 1.00 0.00 C ATOM 366 O LYS A 290 9.085 -6.798 -27.537 1.00 0.00 O ATOM 367 CB LYS A 290 12.012 -7.847 -26.944 1.00 0.00 C ATOM 368 CG LYS A 290 13.499 -8.007 -27.277 1.00 0.00 C ATOM 369 CD LYS A 290 14.286 -8.272 -25.993 1.00 0.00 C ATOM 370 CE LYS A 290 15.782 -8.303 -26.310 1.00 0.00 C ATOM 371 NZ LYS A 290 16.558 -8.013 -25.071 1.00 0.00 N ATOM 0 H LYS A 290 10.968 -5.575 -28.497 1.00 0.00 H new ATOM 0 HA LYS A 290 11.493 -8.425 -28.952 1.00 0.00 H new ATOM 0 HB2 LYS A 290 11.866 -6.994 -26.281 1.00 0.00 H new ATOM 0 HB3 LYS A 290 11.650 -8.728 -26.415 1.00 0.00 H new ATOM 0 HG2 LYS A 290 13.639 -8.830 -27.978 1.00 0.00 H new ATOM 0 HG3 LYS A 290 13.872 -7.106 -27.765 1.00 0.00 H new ATOM 0 HD2 LYS A 290 14.075 -7.496 -25.258 1.00 0.00 H new ATOM 0 HD3 LYS A 290 13.977 -9.220 -25.553 1.00 0.00 H new ATOM 0 HE2 LYS A 290 16.061 -9.279 -26.706 1.00 0.00 H new ATOM 0 HE3 LYS A 290 16.017 -7.568 -27.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 17.575 -8.034 -25.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 16.299 -7.072 -24.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 16.342 -8.731 -24.350 1.00 0.00 H new ATOM 385 N CYS A 291 9.174 -8.952 -28.187 1.00 0.00 N ATOM 386 CA CYS A 291 7.751 -9.185 -27.953 1.00 0.00 C ATOM 387 C CYS A 291 7.440 -9.180 -26.458 1.00 0.00 C ATOM 388 O CYS A 291 6.401 -8.675 -26.034 1.00 0.00 O ATOM 389 CB CYS A 291 7.337 -10.527 -28.558 1.00 0.00 C ATOM 390 SG CYS A 291 7.577 -10.482 -30.351 1.00 0.00 S ATOM 0 H CYS A 291 9.686 -9.763 -28.533 1.00 0.00 H new ATOM 0 HA CYS A 291 7.189 -8.381 -28.429 1.00 0.00 H new ATOM 0 HB2 CYS A 291 7.928 -11.332 -28.122 1.00 0.00 H new ATOM 0 HB3 CYS A 291 6.293 -10.736 -28.326 1.00 0.00 H new ATOM 0 HG CYS A 291 7.227 -11.624 -30.864 1.00 0.00 H new ATOM 396 N GLY A 292 8.346 -9.747 -25.665 1.00 0.00 N ATOM 397 CA GLY A 292 8.154 -9.800 -24.219 1.00 0.00 C ATOM 398 C GLY A 292 9.461 -10.138 -23.508 1.00 0.00 C ATOM 399 O GLY A 292 9.803 -11.309 -23.338 1.00 0.00 O ATOM 0 H GLY A 292 9.212 -10.172 -25.996 1.00 0.00 H new ATOM 0 HA2 GLY A 292 7.779 -8.841 -23.863 1.00 0.00 H new ATOM 0 HA3 GLY A 292 7.399 -10.548 -23.976 1.00 0.00 H new ATOM 403 N SER A 293 10.185 -9.105 -23.094 1.00 0.00 N ATOM 404 CA SER A 293 11.454 -9.297 -22.400 1.00 0.00 C ATOM 405 C SER A 293 11.971 -7.962 -21.877 1.00 0.00 C ATOM 406 O SER A 293 12.629 -7.898 -20.840 1.00 0.00 O ATOM 407 CB SER A 293 12.482 -9.915 -23.352 1.00 0.00 C ATOM 408 OG SER A 293 13.735 -9.265 -23.180 1.00 0.00 O ATOM 0 H SER A 293 9.917 -8.130 -23.226 1.00 0.00 H new ATOM 0 HA SER A 293 11.297 -9.971 -21.558 1.00 0.00 H new ATOM 0 HB2 SER A 293 12.583 -10.982 -23.153 1.00 0.00 H new ATOM 0 HB3 SER A 293 12.146 -9.813 -24.384 1.00 0.00 H new ATOM 0 HG SER A 293 14.451 -9.838 -23.526 1.00 0.00 H new ATOM 414 N LYS A 294 11.650 -6.896 -22.603 1.00 0.00 N ATOM 415 CA LYS A 294 12.065 -5.553 -22.212 1.00 0.00 C ATOM 416 C LYS A 294 10.906 -4.587 -22.414 1.00 0.00 C ATOM 417 O LYS A 294 10.369 -4.485 -23.514 1.00 0.00 O ATOM 418 CB LYS A 294 13.263 -5.105 -23.051 1.00 0.00 C ATOM 419 CG LYS A 294 13.745 -3.736 -22.563 1.00 0.00 C ATOM 420 CD LYS A 294 14.903 -3.259 -23.441 1.00 0.00 C ATOM 421 CE LYS A 294 15.480 -1.965 -22.864 1.00 0.00 C ATOM 422 NZ LYS A 294 14.475 -0.872 -22.993 1.00 0.00 N ATOM 0 H LYS A 294 11.105 -6.936 -23.464 1.00 0.00 H new ATOM 0 HA LYS A 294 12.356 -5.561 -21.161 1.00 0.00 H new ATOM 0 HB2 LYS A 294 14.069 -5.835 -22.973 1.00 0.00 H new ATOM 0 HB3 LYS A 294 12.984 -5.050 -24.103 1.00 0.00 H new ATOM 0 HG2 LYS A 294 12.927 -3.017 -22.599 1.00 0.00 H new ATOM 0 HG3 LYS A 294 14.066 -3.801 -21.523 1.00 0.00 H new ATOM 0 HD2 LYS A 294 15.677 -4.025 -23.489 1.00 0.00 H new ATOM 0 HD3 LYS A 294 14.556 -3.092 -24.461 1.00 0.00 H new ATOM 0 HE2 LYS A 294 15.745 -2.108 -21.816 1.00 0.00 H new ATOM 0 HE3 LYS A 294 16.396 -1.696 -23.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 14.933 0.044 -22.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 14.080 -0.875 -23.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 13.710 -1.021 -22.304 1.00 0.00 H new ATOM 436 N ASP A 295 10.516 -3.896 -21.345 1.00 0.00 N ATOM 437 CA ASP A 295 9.399 -2.956 -21.419 1.00 0.00 C ATOM 438 C ASP A 295 8.129 -3.700 -21.824 1.00 0.00 C ATOM 439 O ASP A 295 7.209 -3.860 -21.021 1.00 0.00 O ATOM 440 CB ASP A 295 9.703 -1.851 -22.431 1.00 0.00 C ATOM 441 CG ASP A 295 8.583 -0.816 -22.424 1.00 0.00 C ATOM 442 OD1 ASP A 295 7.708 -0.924 -21.582 1.00 0.00 O ATOM 443 OD2 ASP A 295 8.616 0.070 -23.263 1.00 0.00 O ATOM 0 H ASP A 295 10.952 -3.968 -20.426 1.00 0.00 H new ATOM 0 HA ASP A 295 9.253 -2.501 -20.440 1.00 0.00 H new ATOM 0 HB2 ASP A 295 10.652 -1.374 -22.187 1.00 0.00 H new ATOM 0 HB3 ASP A 295 9.808 -2.278 -23.428 1.00 0.00 H new ATOM 448 N ASN A 296 8.095 -4.175 -23.066 1.00 0.00 N ATOM 449 CA ASN A 296 6.948 -4.927 -23.558 1.00 0.00 C ATOM 450 C ASN A 296 6.907 -6.294 -22.888 1.00 0.00 C ATOM 451 O ASN A 296 6.171 -7.183 -23.311 1.00 0.00 O ATOM 452 CB ASN A 296 7.034 -5.102 -25.076 1.00 0.00 C ATOM 453 CG ASN A 296 6.904 -3.750 -25.766 1.00 0.00 C ATOM 454 OD1 ASN A 296 6.397 -2.796 -25.176 1.00 0.00 O ATOM 455 ND2 ASN A 296 7.335 -3.609 -26.990 1.00 0.00 N ATOM 0 H ASN A 296 8.845 -4.053 -23.746 1.00 0.00 H new ATOM 0 HA ASN A 296 6.039 -4.375 -23.319 1.00 0.00 H new ATOM 0 HB2 ASN A 296 7.983 -5.566 -25.343 1.00 0.00 H new ATOM 0 HB3 ASN A 296 6.245 -5.771 -25.418 1.00 0.00 H new ATOM 0 HD21 ASN A 296 7.252 -2.707 -27.459 1.00 0.00 H new ATOM 0 HD22 ASN A 296 7.755 -4.401 -27.477 1.00 0.00 H new ATOM 462 N ILE A 297 7.714 -6.450 -21.842 1.00 0.00 N ATOM 463 CA ILE A 297 7.788 -7.708 -21.100 1.00 0.00 C ATOM 464 C ILE A 297 6.394 -8.246 -20.776 1.00 0.00 C ATOM 465 O ILE A 297 6.264 -9.328 -20.206 1.00 0.00 O ATOM 466 CB ILE A 297 8.565 -7.494 -19.793 1.00 0.00 C ATOM 467 CG1 ILE A 297 9.556 -6.341 -19.975 1.00 0.00 C ATOM 468 CG2 ILE A 297 9.326 -8.771 -19.422 1.00 0.00 C ATOM 469 CD1 ILE A 297 10.550 -6.328 -18.812 1.00 0.00 C ATOM 0 H ILE A 297 8.329 -5.718 -21.487 1.00 0.00 H new ATOM 0 HA ILE A 297 8.302 -8.438 -21.726 1.00 0.00 H new ATOM 0 HB ILE A 297 7.864 -7.253 -18.994 1.00 0.00 H new ATOM 0 HG12 ILE A 297 10.088 -6.452 -20.920 1.00 0.00 H new ATOM 0 HG13 ILE A 297 9.021 -5.392 -20.020 1.00 0.00 H new ATOM 0 HG21 ILE A 297 9.875 -8.611 -18.494 1.00 0.00 H new ATOM 0 HG22 ILE A 297 8.619 -9.590 -19.289 1.00 0.00 H new ATOM 0 HG23 ILE A 297 10.026 -9.022 -20.219 1.00 0.00 H new ATOM 0 HD11 ILE A 297 11.254 -5.506 -18.944 1.00 0.00 H new ATOM 0 HD12 ILE A 297 10.011 -6.196 -17.874 1.00 0.00 H new ATOM 0 HD13 ILE A 297 11.094 -7.272 -18.788 1.00 0.00 H new ATOM 481 N LYS A 298 5.364 -7.477 -21.117 1.00 0.00 N ATOM 482 CA LYS A 298 3.987 -7.874 -20.839 1.00 0.00 C ATOM 483 C LYS A 298 3.776 -7.933 -19.335 1.00 0.00 C ATOM 484 O LYS A 298 3.063 -8.797 -18.827 1.00 0.00 O ATOM 485 CB LYS A 298 3.676 -9.245 -21.453 1.00 0.00 C ATOM 486 CG LYS A 298 4.005 -9.228 -22.945 1.00 0.00 C ATOM 487 CD LYS A 298 3.506 -10.522 -23.592 1.00 0.00 C ATOM 488 CE LYS A 298 3.946 -10.565 -25.056 1.00 0.00 C ATOM 489 NZ LYS A 298 5.393 -10.910 -25.130 1.00 0.00 N ATOM 0 H LYS A 298 5.456 -6.576 -21.586 1.00 0.00 H new ATOM 0 HA LYS A 298 3.317 -7.138 -21.283 1.00 0.00 H new ATOM 0 HB2 LYS A 298 4.257 -10.019 -20.952 1.00 0.00 H new ATOM 0 HB3 LYS A 298 2.624 -9.490 -21.306 1.00 0.00 H new ATOM 0 HG2 LYS A 298 3.537 -8.367 -23.422 1.00 0.00 H new ATOM 0 HG3 LYS A 298 5.081 -9.128 -23.090 1.00 0.00 H new ATOM 0 HD2 LYS A 298 3.903 -11.385 -23.057 1.00 0.00 H new ATOM 0 HD3 LYS A 298 2.419 -10.578 -23.526 1.00 0.00 H new ATOM 0 HE2 LYS A 298 3.357 -11.302 -25.602 1.00 0.00 H new ATOM 0 HE3 LYS A 298 3.767 -9.600 -25.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 5.599 -11.347 -26.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 5.962 -10.046 -25.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 5.630 -11.579 -24.369 1.00 0.00 H new ATOM 503 N HIS A 299 4.416 -7.005 -18.630 1.00 0.00 N ATOM 504 CA HIS A 299 4.317 -6.946 -17.178 1.00 0.00 C ATOM 505 C HIS A 299 3.868 -5.550 -16.730 1.00 0.00 C ATOM 506 O HIS A 299 4.073 -4.566 -17.442 1.00 0.00 O ATOM 507 CB HIS A 299 5.671 -7.325 -16.570 1.00 0.00 C ATOM 508 CG HIS A 299 6.614 -6.159 -16.630 1.00 0.00 C ATOM 509 ND1 HIS A 299 7.431 -5.826 -15.561 1.00 0.00 N ATOM 510 CD2 HIS A 299 6.877 -5.232 -17.607 1.00 0.00 C ATOM 511 CE1 HIS A 299 8.137 -4.740 -15.913 1.00 0.00 C ATOM 512 NE2 HIS A 299 7.840 -4.335 -17.152 1.00 0.00 N ATOM 0 H HIS A 299 5.008 -6.284 -19.042 1.00 0.00 H new ATOM 0 HA HIS A 299 3.567 -7.655 -16.828 1.00 0.00 H new ATOM 0 HB2 HIS A 299 5.537 -7.640 -15.535 1.00 0.00 H new ATOM 0 HB3 HIS A 299 6.095 -8.172 -17.109 1.00 0.00 H new ATOM 0 HD2 HIS A 299 6.409 -5.203 -18.580 1.00 0.00 H new ATOM 0 HE1 HIS A 299 8.858 -4.253 -15.273 1.00 0.00 H new ATOM 0 HE2 HIS A 299 8.234 -3.540 -17.656 1.00 0.00 H new ATOM 521 N VAL A 300 3.218 -5.479 -15.564 1.00 0.00 N ATOM 522 CA VAL A 300 2.699 -4.204 -15.050 1.00 0.00 C ATOM 523 C VAL A 300 3.531 -3.585 -13.915 1.00 0.00 C ATOM 524 O VAL A 300 3.467 -2.375 -13.703 1.00 0.00 O ATOM 525 CB VAL A 300 1.293 -4.426 -14.512 1.00 0.00 C ATOM 526 CG1 VAL A 300 0.726 -3.095 -14.007 1.00 0.00 C ATOM 527 CG2 VAL A 300 0.402 -4.978 -15.622 1.00 0.00 C ATOM 0 H VAL A 300 3.039 -6.282 -14.961 1.00 0.00 H new ATOM 0 HA VAL A 300 2.733 -3.511 -15.891 1.00 0.00 H new ATOM 0 HB VAL A 300 1.325 -5.141 -13.690 1.00 0.00 H new ATOM 0 HG11 VAL A 300 -0.281 -3.252 -13.621 1.00 0.00 H new ATOM 0 HG12 VAL A 300 1.363 -2.706 -13.212 1.00 0.00 H new ATOM 0 HG13 VAL A 300 0.693 -2.379 -14.828 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -0.605 -5.137 -15.235 1.00 0.00 H new ATOM 0 HG22 VAL A 300 0.366 -4.267 -16.447 1.00 0.00 H new ATOM 0 HG23 VAL A 300 0.808 -5.925 -15.977 1.00 0.00 H new ATOM 537 N PRO A 301 4.259 -4.364 -13.155 1.00 0.00 N ATOM 538 CA PRO A 301 5.026 -3.799 -12.012 1.00 0.00 C ATOM 539 C PRO A 301 5.831 -2.570 -12.423 1.00 0.00 C ATOM 540 O PRO A 301 6.407 -2.531 -13.511 1.00 0.00 O ATOM 541 CB PRO A 301 5.929 -4.963 -11.654 1.00 0.00 C ATOM 542 CG PRO A 301 6.364 -5.448 -12.984 1.00 0.00 C ATOM 543 CD PRO A 301 5.125 -5.324 -13.876 1.00 0.00 C ATOM 0 HA PRO A 301 4.402 -3.448 -11.190 1.00 0.00 H new ATOM 0 HB2 PRO A 301 6.773 -4.649 -11.040 1.00 0.00 H new ATOM 0 HB3 PRO A 301 5.397 -5.733 -11.095 1.00 0.00 H new ATOM 0 HG2 PRO A 301 7.190 -4.851 -13.371 1.00 0.00 H new ATOM 0 HG3 PRO A 301 6.712 -6.480 -12.933 1.00 0.00 H new ATOM 0 HD2 PRO A 301 5.384 -4.959 -14.870 1.00 0.00 H new ATOM 0 HD3 PRO A 301 4.630 -6.286 -14.008 1.00 0.00 H new ATOM 551 N GLY A 302 5.863 -1.567 -11.554 1.00 0.00 N ATOM 552 CA GLY A 302 6.594 -0.342 -11.848 1.00 0.00 C ATOM 553 C GLY A 302 5.677 0.704 -12.474 1.00 0.00 C ATOM 554 O GLY A 302 6.140 1.724 -12.985 1.00 0.00 O ATOM 0 H GLY A 302 5.395 -1.577 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 302 7.031 0.054 -10.931 1.00 0.00 H new ATOM 0 HA3 GLY A 302 7.419 -0.560 -12.526 1.00 0.00 H new ATOM 558 N GLY A 303 4.372 0.446 -12.428 1.00 0.00 N ATOM 559 CA GLY A 303 3.397 1.375 -12.991 1.00 0.00 C ATOM 560 C GLY A 303 3.214 1.150 -14.489 1.00 0.00 C ATOM 561 O GLY A 303 3.254 2.095 -15.276 1.00 0.00 O ATOM 0 H GLY A 303 3.968 -0.392 -12.010 1.00 0.00 H new ATOM 0 HA2 GLY A 303 2.440 1.252 -12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 303 3.723 2.400 -12.813 1.00 0.00 H new ATOM 565 N GLY A 304 3.007 -0.105 -14.876 1.00 0.00 N ATOM 566 CA GLY A 304 2.813 -0.438 -16.283 1.00 0.00 C ATOM 567 C GLY A 304 1.333 -0.424 -16.650 1.00 0.00 C ATOM 568 O GLY A 304 0.686 0.623 -16.619 1.00 0.00 O ATOM 0 H GLY A 304 2.969 -0.902 -14.241 1.00 0.00 H new ATOM 0 HA2 GLY A 304 3.353 0.275 -16.907 1.00 0.00 H new ATOM 0 HA3 GLY A 304 3.233 -1.423 -16.488 1.00 0.00 H new ATOM 572 N SER A 305 0.801 -1.593 -17.000 1.00 0.00 N ATOM 573 CA SER A 305 -0.607 -1.705 -17.374 1.00 0.00 C ATOM 574 C SER A 305 -1.432 -2.274 -16.220 1.00 0.00 C ATOM 575 O SER A 305 -1.545 -1.653 -15.164 1.00 0.00 O ATOM 576 CB SER A 305 -0.751 -2.603 -18.604 1.00 0.00 C ATOM 577 OG SER A 305 -0.312 -1.895 -19.756 1.00 0.00 O ATOM 0 H SER A 305 1.320 -2.471 -17.032 1.00 0.00 H new ATOM 0 HA SER A 305 -0.980 -0.708 -17.608 1.00 0.00 H new ATOM 0 HB2 SER A 305 -0.163 -3.512 -18.476 1.00 0.00 H new ATOM 0 HB3 SER A 305 -1.790 -2.909 -18.725 1.00 0.00 H new ATOM 0 HG SER A 305 -0.401 -2.468 -20.546 1.00 0.00 H new ATOM 583 N VAL A 306 -2.010 -3.454 -16.431 1.00 0.00 N ATOM 584 CA VAL A 306 -2.826 -4.087 -15.399 1.00 0.00 C ATOM 585 C VAL A 306 -3.035 -5.567 -15.707 1.00 0.00 C ATOM 586 O VAL A 306 -3.822 -6.242 -15.044 1.00 0.00 O ATOM 587 CB VAL A 306 -4.184 -3.381 -15.310 1.00 0.00 C ATOM 588 CG1 VAL A 306 -5.049 -3.787 -16.505 1.00 0.00 C ATOM 589 CG2 VAL A 306 -4.894 -3.779 -14.012 1.00 0.00 C ATOM 0 H VAL A 306 -1.930 -3.986 -17.297 1.00 0.00 H new ATOM 0 HA VAL A 306 -2.306 -4.002 -14.445 1.00 0.00 H new ATOM 0 HB VAL A 306 -4.028 -2.302 -15.319 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -6.015 -3.285 -16.442 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -4.550 -3.499 -17.430 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -5.200 -4.867 -16.495 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -5.858 -3.274 -13.955 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -5.048 -4.858 -13.998 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -4.281 -3.489 -13.158 1.00 0.00 H new ATOM 599 N GLN A 307 -2.333 -6.066 -16.719 1.00 0.00 N ATOM 600 CA GLN A 307 -2.468 -7.471 -17.099 1.00 0.00 C ATOM 601 C GLN A 307 -2.049 -8.392 -15.954 1.00 0.00 C ATOM 602 O GLN A 307 -2.735 -9.368 -15.651 1.00 0.00 O ATOM 603 CB GLN A 307 -1.620 -7.770 -18.336 1.00 0.00 C ATOM 604 CG GLN A 307 -0.220 -7.182 -18.156 1.00 0.00 C ATOM 605 CD GLN A 307 0.617 -7.444 -19.403 1.00 0.00 C ATOM 606 OE1 GLN A 307 0.761 -8.591 -19.826 1.00 0.00 O ATOM 607 NE2 GLN A 307 1.176 -6.441 -20.023 1.00 0.00 N ATOM 0 H GLN A 307 -1.674 -5.530 -17.284 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.518 -7.657 -17.327 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -1.555 -8.847 -18.493 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -2.091 -7.347 -19.223 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -0.287 -6.110 -17.971 1.00 0.00 H new ATOM 0 HG3 GLN A 307 0.261 -7.626 -17.285 1.00 0.00 H new ATOM 0 HE21 GLN A 307 1.055 -5.492 -19.670 1.00 0.00 H new ATOM 0 HE22 GLN A 307 1.734 -6.606 -20.861 1.00 0.00 H new ATOM 616 N ILE A 308 -0.926 -8.073 -15.313 1.00 0.00 N ATOM 617 CA ILE A 308 -0.436 -8.878 -14.193 1.00 0.00 C ATOM 618 C ILE A 308 -0.138 -7.988 -12.990 1.00 0.00 C ATOM 619 O ILE A 308 -0.112 -6.765 -13.104 1.00 0.00 O ATOM 620 CB ILE A 308 0.820 -9.662 -14.604 1.00 0.00 C ATOM 621 CG1 ILE A 308 1.985 -8.701 -14.868 1.00 0.00 C ATOM 622 CG2 ILE A 308 0.527 -10.446 -15.886 1.00 0.00 C ATOM 623 CD1 ILE A 308 2.599 -8.206 -13.549 1.00 0.00 C ATOM 0 H ILE A 308 -0.342 -7.270 -15.546 1.00 0.00 H new ATOM 0 HA ILE A 308 -1.212 -9.591 -13.914 1.00 0.00 H new ATOM 0 HB ILE A 308 1.091 -10.342 -13.796 1.00 0.00 H new ATOM 0 HG12 ILE A 308 2.748 -9.203 -15.463 1.00 0.00 H new ATOM 0 HG13 ILE A 308 1.634 -7.850 -15.452 1.00 0.00 H new ATOM 0 HG21 ILE A 308 1.415 -11.004 -16.182 1.00 0.00 H new ATOM 0 HG22 ILE A 308 -0.295 -11.139 -15.709 1.00 0.00 H new ATOM 0 HG23 ILE A 308 0.252 -9.753 -16.681 1.00 0.00 H new ATOM 0 HD11 ILE A 308 3.423 -7.526 -13.764 1.00 0.00 H new ATOM 0 HD12 ILE A 308 1.839 -7.683 -12.968 1.00 0.00 H new ATOM 0 HD13 ILE A 308 2.970 -9.057 -12.979 1.00 0.00 H new ATOM 635 N VAL A 309 0.091 -8.610 -11.839 1.00 0.00 N ATOM 636 CA VAL A 309 0.398 -7.877 -10.616 1.00 0.00 C ATOM 637 C VAL A 309 1.717 -8.380 -10.055 1.00 0.00 C ATOM 638 O VAL A 309 2.408 -7.677 -9.318 1.00 0.00 O ATOM 639 CB VAL A 309 -0.712 -8.082 -9.582 1.00 0.00 C ATOM 640 CG1 VAL A 309 -0.787 -6.865 -8.656 1.00 0.00 C ATOM 641 CG2 VAL A 309 -2.051 -8.257 -10.302 1.00 0.00 C ATOM 0 H VAL A 309 0.070 -9.624 -11.727 1.00 0.00 H new ATOM 0 HA VAL A 309 0.472 -6.813 -10.843 1.00 0.00 H new ATOM 0 HB VAL A 309 -0.495 -8.972 -8.991 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -1.578 -7.015 -7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 309 0.166 -6.740 -8.142 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -1.002 -5.973 -9.244 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -2.843 -8.403 -9.567 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -2.265 -7.367 -10.894 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -2.000 -9.126 -10.958 1.00 0.00 H new ATOM 651 N TYR A 310 2.057 -9.607 -10.428 1.00 0.00 N ATOM 652 CA TYR A 310 3.295 -10.216 -9.982 1.00 0.00 C ATOM 653 C TYR A 310 4.402 -9.852 -10.955 1.00 0.00 C ATOM 654 O TYR A 310 4.241 -9.979 -12.168 1.00 0.00 O ATOM 655 CB TYR A 310 3.141 -11.735 -9.925 1.00 0.00 C ATOM 656 CG TYR A 310 2.793 -12.251 -11.301 1.00 0.00 C ATOM 657 CD1 TYR A 310 3.808 -12.497 -12.234 1.00 0.00 C ATOM 658 CD2 TYR A 310 1.456 -12.478 -11.645 1.00 0.00 C ATOM 659 CE1 TYR A 310 3.483 -12.972 -13.511 1.00 0.00 C ATOM 660 CE2 TYR A 310 1.132 -12.953 -12.921 1.00 0.00 C ATOM 661 CZ TYR A 310 2.145 -13.200 -13.854 1.00 0.00 C ATOM 662 OH TYR A 310 1.825 -13.667 -15.113 1.00 0.00 O ATOM 0 H TYR A 310 1.491 -10.197 -11.038 1.00 0.00 H new ATOM 0 HA TYR A 310 3.542 -9.850 -8.985 1.00 0.00 H new ATOM 0 HB2 TYR A 310 4.066 -12.193 -9.575 1.00 0.00 H new ATOM 0 HB3 TYR A 310 2.361 -12.007 -9.214 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.840 -12.321 -11.969 1.00 0.00 H new ATOM 0 HD2 TYR A 310 0.674 -12.287 -10.926 1.00 0.00 H new ATOM 0 HE1 TYR A 310 4.265 -13.162 -14.231 1.00 0.00 H new ATOM 0 HE2 TYR A 310 0.100 -13.129 -13.186 1.00 0.00 H new ATOM 0 HH TYR A 310 0.853 -13.772 -15.186 1.00 0.00 H new ATOM 672 N LYS A 311 5.514 -9.378 -10.422 1.00 0.00 N ATOM 673 CA LYS A 311 6.624 -8.976 -11.266 1.00 0.00 C ATOM 674 C LYS A 311 7.457 -10.192 -11.696 1.00 0.00 C ATOM 675 O LYS A 311 7.840 -11.009 -10.857 1.00 0.00 O ATOM 676 CB LYS A 311 7.515 -7.978 -10.510 1.00 0.00 C ATOM 677 CG LYS A 311 7.329 -8.166 -9.003 1.00 0.00 C ATOM 678 CD LYS A 311 8.351 -7.312 -8.247 1.00 0.00 C ATOM 679 CE LYS A 311 9.768 -7.829 -8.519 1.00 0.00 C ATOM 680 NZ LYS A 311 10.349 -7.098 -9.679 1.00 0.00 N ATOM 0 H LYS A 311 5.672 -9.263 -9.421 1.00 0.00 H new ATOM 0 HA LYS A 311 6.221 -8.503 -12.161 1.00 0.00 H new ATOM 0 HB2 LYS A 311 8.560 -8.131 -10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 311 7.258 -6.958 -10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 311 6.317 -7.882 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 311 7.452 -9.216 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 311 8.269 -6.271 -8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 311 8.143 -7.342 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 311 10.393 -7.689 -7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 311 9.743 -8.899 -8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 10.598 -7.776 -10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 9.652 -6.418 -10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 11.203 -6.588 -9.376 1.00 0.00 H new ATOM 694 N PRO A 312 7.766 -10.320 -12.970 1.00 0.00 N ATOM 695 CA PRO A 312 8.594 -11.462 -13.448 1.00 0.00 C ATOM 696 C PRO A 312 9.997 -11.454 -12.843 1.00 0.00 C ATOM 697 O PRO A 312 10.491 -10.375 -12.558 1.00 0.00 O ATOM 698 CB PRO A 312 8.645 -11.239 -14.955 1.00 0.00 C ATOM 699 CG PRO A 312 7.318 -10.650 -15.289 1.00 0.00 C ATOM 700 CD PRO A 312 6.861 -9.869 -14.051 1.00 0.00 C ATOM 701 OXT PRO A 312 10.555 -12.525 -12.675 1.00 0.00 O ATOM 0 HA PRO A 312 8.178 -12.428 -13.162 1.00 0.00 H new ATOM 0 HB2 PRO A 312 9.458 -10.567 -15.230 1.00 0.00 H new ATOM 0 HB3 PRO A 312 8.810 -12.174 -15.490 1.00 0.00 H new ATOM 0 HG2 PRO A 312 7.393 -9.993 -16.156 1.00 0.00 H new ATOM 0 HG3 PRO A 312 6.600 -11.430 -15.542 1.00 0.00 H new ATOM 0 HD2 PRO A 312 6.938 -8.793 -14.210 1.00 0.00 H new ATOM 0 HD3 PRO A 312 5.819 -10.081 -13.810 1.00 0.00 H new TER 709 PRO A 312