USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=11 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 305 SER OG : rot -29:sc= 0.739 USER MOD Set 1.2: A 307 GLN : amide:sc= -16! C(o=-15!,f=-5.9!) USER MOD Set 2.1: A 268 HIS : no HD1:sc= -3.16! C(o=-6.2!,f=-4.7!) USER MOD Set 2.2: A 288 GLN : amide:sc= -3! C(o=-6.2!,f=-4.7!) USER MOD Single : A 267 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 274 LYS NZ :NH3+ 157:sc= -0.0407 (180deg=-0.574) USER MOD Single : A 276 GLN : amide:sc= -7.86! C(o=-7.9!,f=-2.7!) USER MOD Single : A 279 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.46) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 159:sc= -0.107 (180deg=-0.576) USER MOD Single : A 285 SER OG : rot -69:sc= -0.39! USER MOD Single : A 286 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 289 SER OG : rot 180:sc= 0 USER MOD Single : A 290 LYS NZ :NH3+ -145:sc= -2.67! (180deg=-3.8!) USER MOD Single : A 291 CYS SG : rot 180:sc= 0 USER MOD Single : A 293 SER OG : rot -44:sc= 0.756 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 ASN : amide:sc= -0.3 X(o=-0.3,f=0.014) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 299 HIS : no HE2:sc= -6.53! C(o=-6.5!,f=-14!) USER MOD Single : A 310 TYR OH : rot 180:sc= -0.528 USER MOD Single : A 311 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.424) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 8.315 -27.538 -24.222 1.00 0.00 N ATOM 2 CA LYS A 267 9.030 -26.427 -23.606 1.00 0.00 C ATOM 3 C LYS A 267 8.095 -25.630 -22.701 1.00 0.00 C ATOM 4 O LYS A 267 7.074 -26.147 -22.244 1.00 0.00 O ATOM 5 CB LYS A 267 9.604 -25.512 -24.691 1.00 0.00 C ATOM 6 CG LYS A 267 10.624 -26.290 -25.526 1.00 0.00 C ATOM 7 CD LYS A 267 11.295 -25.345 -26.526 1.00 0.00 C ATOM 8 CE LYS A 267 12.226 -26.142 -27.444 1.00 0.00 C ATOM 9 NZ LYS A 267 13.340 -25.266 -27.903 1.00 0.00 N ATOM 0 HA LYS A 267 9.845 -26.828 -23.004 1.00 0.00 H new ATOM 0 HB2 LYS A 267 8.803 -25.140 -25.330 1.00 0.00 H new ATOM 0 HB3 LYS A 267 10.078 -24.643 -24.235 1.00 0.00 H new ATOM 0 HG2 LYS A 267 11.374 -26.740 -24.876 1.00 0.00 H new ATOM 0 HG3 LYS A 267 10.130 -27.105 -26.055 1.00 0.00 H new ATOM 0 HD2 LYS A 267 10.539 -24.830 -27.118 1.00 0.00 H new ATOM 0 HD3 LYS A 267 11.860 -24.579 -25.995 1.00 0.00 H new ATOM 0 HE2 LYS A 267 12.624 -27.007 -26.914 1.00 0.00 H new ATOM 0 HE3 LYS A 267 11.671 -26.522 -28.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 13.973 -25.807 -28.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 12.951 -24.454 -28.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 13.875 -24.924 -27.079 1.00 0.00 H new ATOM 23 N HIS A 268 8.446 -24.374 -22.441 1.00 0.00 N ATOM 24 CA HIS A 268 7.623 -23.529 -21.585 1.00 0.00 C ATOM 25 C HIS A 268 6.216 -23.400 -22.158 1.00 0.00 C ATOM 26 O HIS A 268 5.232 -23.389 -21.418 1.00 0.00 O ATOM 27 CB HIS A 268 8.254 -22.141 -21.455 1.00 0.00 C ATOM 28 CG HIS A 268 7.477 -21.330 -20.456 1.00 0.00 C ATOM 29 ND1 HIS A 268 7.678 -19.968 -20.294 1.00 0.00 N ATOM 30 CD2 HIS A 268 6.495 -21.673 -19.559 1.00 0.00 C ATOM 31 CE1 HIS A 268 6.837 -19.546 -19.333 1.00 0.00 C ATOM 32 NE2 HIS A 268 6.092 -20.545 -18.851 1.00 0.00 N ATOM 0 H HIS A 268 9.285 -23.924 -22.806 1.00 0.00 H new ATOM 0 HA HIS A 268 7.562 -23.991 -20.600 1.00 0.00 H new ATOM 0 HB2 HIS A 268 9.293 -22.230 -21.138 1.00 0.00 H new ATOM 0 HB3 HIS A 268 8.258 -21.639 -22.423 1.00 0.00 H new ATOM 0 HD2 HIS A 268 6.096 -22.667 -19.424 1.00 0.00 H new ATOM 0 HE1 HIS A 268 6.772 -18.523 -18.992 1.00 0.00 H new ATOM 0 HE2 HIS A 268 5.381 -20.492 -18.121 1.00 0.00 H new ATOM 41 N GLN A 269 6.125 -23.313 -23.481 1.00 0.00 N ATOM 42 CA GLN A 269 4.828 -23.196 -24.136 1.00 0.00 C ATOM 43 C GLN A 269 4.027 -24.485 -23.925 1.00 0.00 C ATOM 44 O GLN A 269 4.592 -25.577 -23.980 1.00 0.00 O ATOM 45 CB GLN A 269 5.033 -22.949 -25.634 1.00 0.00 C ATOM 46 CG GLN A 269 3.788 -22.288 -26.231 1.00 0.00 C ATOM 47 CD GLN A 269 4.065 -21.864 -27.669 1.00 0.00 C ATOM 48 OE1 GLN A 269 3.771 -22.607 -28.604 1.00 0.00 O ATOM 49 NE2 GLN A 269 4.617 -20.704 -27.902 1.00 0.00 N ATOM 0 H GLN A 269 6.924 -23.321 -24.114 1.00 0.00 H new ATOM 0 HA GLN A 269 4.277 -22.360 -23.706 1.00 0.00 H new ATOM 0 HB2 GLN A 269 5.903 -22.312 -25.790 1.00 0.00 H new ATOM 0 HB3 GLN A 269 5.233 -23.892 -26.142 1.00 0.00 H new ATOM 0 HG2 GLN A 269 2.948 -22.982 -26.203 1.00 0.00 H new ATOM 0 HG3 GLN A 269 3.505 -21.420 -25.635 1.00 0.00 H new ATOM 0 HE21 GLN A 269 4.860 -20.090 -27.125 1.00 0.00 H new ATOM 0 HE22 GLN A 269 4.805 -20.412 -28.861 1.00 0.00 H new ATOM 58 N PRO A 270 2.741 -24.394 -23.676 1.00 0.00 N ATOM 59 CA PRO A 270 1.929 -25.628 -23.453 1.00 0.00 C ATOM 60 C PRO A 270 1.948 -26.558 -24.664 1.00 0.00 C ATOM 61 O PRO A 270 1.736 -27.762 -24.534 1.00 0.00 O ATOM 62 CB PRO A 270 0.508 -25.120 -23.155 1.00 0.00 C ATOM 63 CG PRO A 270 0.493 -23.684 -23.556 1.00 0.00 C ATOM 64 CD PRO A 270 1.928 -23.188 -23.440 1.00 0.00 C ATOM 0 HA PRO A 270 2.331 -26.226 -22.635 1.00 0.00 H new ATOM 0 HB2 PRO A 270 -0.235 -25.689 -23.714 1.00 0.00 H new ATOM 0 HB3 PRO A 270 0.267 -25.233 -22.098 1.00 0.00 H new ATOM 0 HG2 PRO A 270 0.124 -23.570 -24.575 1.00 0.00 H new ATOM 0 HG3 PRO A 270 -0.170 -23.108 -22.911 1.00 0.00 H new ATOM 0 HD2 PRO A 270 2.143 -22.412 -24.174 1.00 0.00 H new ATOM 0 HD3 PRO A 270 2.124 -22.760 -22.457 1.00 0.00 H new ATOM 72 N GLY A 271 2.209 -25.996 -25.839 1.00 0.00 N ATOM 73 CA GLY A 271 2.259 -26.796 -27.057 1.00 0.00 C ATOM 74 C GLY A 271 0.865 -27.239 -27.486 1.00 0.00 C ATOM 75 O GLY A 271 0.669 -28.381 -27.903 1.00 0.00 O ATOM 0 H GLY A 271 2.387 -25.001 -25.974 1.00 0.00 H new ATOM 0 HA2 GLY A 271 2.721 -26.217 -27.856 1.00 0.00 H new ATOM 0 HA3 GLY A 271 2.887 -27.672 -26.894 1.00 0.00 H new ATOM 79 N GLY A 272 -0.102 -26.332 -27.388 1.00 0.00 N ATOM 80 CA GLY A 272 -1.472 -26.650 -27.777 1.00 0.00 C ATOM 81 C GLY A 272 -2.300 -27.111 -26.581 1.00 0.00 C ATOM 82 O GLY A 272 -3.330 -27.765 -26.745 1.00 0.00 O ATOM 0 H GLY A 272 0.035 -25.381 -27.046 1.00 0.00 H new ATOM 0 HA2 GLY A 272 -1.937 -25.772 -28.226 1.00 0.00 H new ATOM 0 HA3 GLY A 272 -1.464 -27.431 -28.538 1.00 0.00 H new ATOM 86 N GLY A 273 -1.849 -26.764 -25.379 1.00 0.00 N ATOM 87 CA GLY A 273 -2.569 -27.148 -24.169 1.00 0.00 C ATOM 88 C GLY A 273 -2.199 -28.559 -23.723 1.00 0.00 C ATOM 89 O GLY A 273 -3.072 -29.362 -23.390 1.00 0.00 O ATOM 0 H GLY A 273 -0.999 -26.224 -25.217 1.00 0.00 H new ATOM 0 HA2 GLY A 273 -2.343 -26.442 -23.370 1.00 0.00 H new ATOM 0 HA3 GLY A 273 -3.642 -27.092 -24.350 1.00 0.00 H new ATOM 93 N LYS A 274 -0.903 -28.856 -23.713 1.00 0.00 N ATOM 94 CA LYS A 274 -0.438 -30.175 -23.301 1.00 0.00 C ATOM 95 C LYS A 274 -0.912 -30.493 -21.883 1.00 0.00 C ATOM 96 O LYS A 274 -1.455 -31.568 -21.633 1.00 0.00 O ATOM 97 CB LYS A 274 1.092 -30.224 -23.359 1.00 0.00 C ATOM 98 CG LYS A 274 1.585 -31.608 -22.936 1.00 0.00 C ATOM 99 CD LYS A 274 3.114 -31.644 -22.990 1.00 0.00 C ATOM 100 CE LYS A 274 3.605 -33.063 -22.701 1.00 0.00 C ATOM 101 NZ LYS A 274 3.195 -33.966 -23.813 1.00 0.00 N ATOM 0 H LYS A 274 -0.163 -28.208 -23.983 1.00 0.00 H new ATOM 0 HA LYS A 274 -0.852 -30.919 -23.981 1.00 0.00 H new ATOM 0 HB2 LYS A 274 1.434 -30.000 -24.370 1.00 0.00 H new ATOM 0 HB3 LYS A 274 1.514 -29.462 -22.704 1.00 0.00 H new ATOM 0 HG2 LYS A 274 1.241 -31.836 -21.927 1.00 0.00 H new ATOM 0 HG3 LYS A 274 1.169 -32.371 -23.594 1.00 0.00 H new ATOM 0 HD2 LYS A 274 3.461 -31.321 -23.972 1.00 0.00 H new ATOM 0 HD3 LYS A 274 3.530 -30.949 -22.261 1.00 0.00 H new ATOM 0 HE2 LYS A 274 4.690 -33.069 -22.594 1.00 0.00 H new ATOM 0 HE3 LYS A 274 3.190 -33.418 -21.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 3.822 -34.795 -23.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 2.214 -34.278 -23.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 3.262 -33.456 -24.717 1.00 0.00 H new ATOM 115 N VAL A 275 -0.712 -29.542 -20.972 1.00 0.00 N ATOM 116 CA VAL A 275 -1.124 -29.704 -19.574 1.00 0.00 C ATOM 117 C VAL A 275 -0.619 -28.527 -18.749 1.00 0.00 C ATOM 118 O VAL A 275 -1.166 -28.209 -17.693 1.00 0.00 O ATOM 119 CB VAL A 275 -0.562 -31.004 -18.982 1.00 0.00 C ATOM 120 CG1 VAL A 275 0.957 -31.057 -19.183 1.00 0.00 C ATOM 121 CG2 VAL A 275 -0.880 -31.047 -17.483 1.00 0.00 C ATOM 0 H VAL A 275 -0.266 -28.648 -21.176 1.00 0.00 H new ATOM 0 HA VAL A 275 -2.213 -29.744 -19.545 1.00 0.00 H new ATOM 0 HB VAL A 275 -1.016 -31.858 -19.484 1.00 0.00 H new ATOM 0 HG11 VAL A 275 1.348 -31.982 -18.760 1.00 0.00 H new ATOM 0 HG12 VAL A 275 1.185 -31.020 -20.248 1.00 0.00 H new ATOM 0 HG13 VAL A 275 1.420 -30.206 -18.684 1.00 0.00 H new ATOM 0 HG21 VAL A 275 -0.485 -31.967 -17.053 1.00 0.00 H new ATOM 0 HG22 VAL A 275 -0.422 -30.190 -16.989 1.00 0.00 H new ATOM 0 HG23 VAL A 275 -1.960 -31.014 -17.339 1.00 0.00 H new ATOM 131 N GLN A 276 0.435 -27.893 -19.248 1.00 0.00 N ATOM 132 CA GLN A 276 1.036 -26.748 -18.574 1.00 0.00 C ATOM 133 C GLN A 276 -0.021 -25.665 -18.319 1.00 0.00 C ATOM 134 O GLN A 276 -1.205 -25.966 -18.193 1.00 0.00 O ATOM 135 CB GLN A 276 2.191 -26.212 -19.448 1.00 0.00 C ATOM 136 CG GLN A 276 3.546 -26.501 -18.788 1.00 0.00 C ATOM 137 CD GLN A 276 3.875 -27.985 -18.900 1.00 0.00 C ATOM 138 OE1 GLN A 276 4.967 -28.348 -19.336 1.00 0.00 O ATOM 139 NE2 GLN A 276 2.987 -28.870 -18.538 1.00 0.00 N ATOM 0 H GLN A 276 0.893 -28.154 -20.121 1.00 0.00 H new ATOM 0 HA GLN A 276 1.433 -27.049 -17.605 1.00 0.00 H new ATOM 0 HB2 GLN A 276 2.154 -26.676 -20.434 1.00 0.00 H new ATOM 0 HB3 GLN A 276 2.074 -25.138 -19.596 1.00 0.00 H new ATOM 0 HG2 GLN A 276 4.327 -25.910 -19.267 1.00 0.00 H new ATOM 0 HG3 GLN A 276 3.520 -26.204 -17.740 1.00 0.00 H new ATOM 0 HE21 GLN A 276 2.083 -28.567 -18.177 1.00 0.00 H new ATOM 0 HE22 GLN A 276 3.197 -29.865 -18.616 1.00 0.00 H new ATOM 148 N ILE A 277 0.413 -24.413 -18.233 1.00 0.00 N ATOM 149 CA ILE A 277 -0.504 -23.305 -17.985 1.00 0.00 C ATOM 150 C ILE A 277 -1.587 -23.244 -19.066 1.00 0.00 C ATOM 151 O ILE A 277 -2.609 -22.582 -18.891 1.00 0.00 O ATOM 152 CB ILE A 277 0.277 -21.988 -17.959 1.00 0.00 C ATOM 153 CG1 ILE A 277 1.398 -22.086 -16.923 1.00 0.00 C ATOM 154 CG2 ILE A 277 -0.660 -20.842 -17.571 1.00 0.00 C ATOM 155 CD1 ILE A 277 2.267 -20.828 -16.991 1.00 0.00 C ATOM 0 H ILE A 277 1.391 -24.139 -18.331 1.00 0.00 H new ATOM 0 HA ILE A 277 -0.988 -23.463 -17.021 1.00 0.00 H new ATOM 0 HB ILE A 277 0.698 -21.799 -18.947 1.00 0.00 H new ATOM 0 HG12 ILE A 277 0.976 -22.196 -15.924 1.00 0.00 H new ATOM 0 HG13 ILE A 277 2.005 -22.971 -17.111 1.00 0.00 H new ATOM 0 HG21 ILE A 277 -0.102 -19.906 -17.553 1.00 0.00 H new ATOM 0 HG22 ILE A 277 -1.467 -20.769 -18.300 1.00 0.00 H new ATOM 0 HG23 ILE A 277 -1.079 -21.033 -16.583 1.00 0.00 H new ATOM 0 HD11 ILE A 277 3.066 -20.897 -16.253 1.00 0.00 H new ATOM 0 HD12 ILE A 277 2.700 -20.738 -17.987 1.00 0.00 H new ATOM 0 HD13 ILE A 277 1.655 -19.951 -16.781 1.00 0.00 H new ATOM 167 N ILE A 278 -1.346 -23.935 -20.181 1.00 0.00 N ATOM 168 CA ILE A 278 -2.293 -23.963 -21.303 1.00 0.00 C ATOM 169 C ILE A 278 -2.446 -22.585 -21.941 1.00 0.00 C ATOM 170 O ILE A 278 -2.901 -22.473 -23.080 1.00 0.00 O ATOM 171 CB ILE A 278 -3.669 -24.474 -20.854 1.00 0.00 C ATOM 172 CG1 ILE A 278 -3.575 -25.958 -20.493 1.00 0.00 C ATOM 173 CG2 ILE A 278 -4.670 -24.298 -21.996 1.00 0.00 C ATOM 174 CD1 ILE A 278 -4.861 -26.396 -19.790 1.00 0.00 C ATOM 0 H ILE A 278 -0.501 -24.485 -20.334 1.00 0.00 H new ATOM 0 HA ILE A 278 -1.884 -24.648 -22.046 1.00 0.00 H new ATOM 0 HB ILE A 278 -3.998 -23.908 -19.982 1.00 0.00 H new ATOM 0 HG12 ILE A 278 -3.420 -26.553 -21.393 1.00 0.00 H new ATOM 0 HG13 ILE A 278 -2.716 -26.131 -19.844 1.00 0.00 H new ATOM 0 HG21 ILE A 278 -5.649 -24.660 -21.681 1.00 0.00 H new ATOM 0 HG22 ILE A 278 -4.741 -23.242 -22.258 1.00 0.00 H new ATOM 0 HG23 ILE A 278 -4.335 -24.866 -22.864 1.00 0.00 H new ATOM 0 HD11 ILE A 278 -4.793 -27.453 -19.533 1.00 0.00 H new ATOM 0 HD12 ILE A 278 -4.997 -25.810 -18.881 1.00 0.00 H new ATOM 0 HD13 ILE A 278 -5.711 -26.238 -20.454 1.00 0.00 H new ATOM 186 N ASN A 279 -2.065 -21.538 -21.218 1.00 0.00 N ATOM 187 CA ASN A 279 -2.176 -20.186 -21.756 1.00 0.00 C ATOM 188 C ASN A 279 -0.899 -19.798 -22.494 1.00 0.00 C ATOM 189 O ASN A 279 -0.056 -19.077 -21.959 1.00 0.00 O ATOM 190 CB ASN A 279 -2.435 -19.185 -20.627 1.00 0.00 C ATOM 191 CG ASN A 279 -3.691 -19.581 -19.857 1.00 0.00 C ATOM 192 OD1 ASN A 279 -4.682 -19.997 -20.456 1.00 0.00 O ATOM 193 ND2 ASN A 279 -3.708 -19.474 -18.556 1.00 0.00 N ATOM 0 H ASN A 279 -1.683 -21.595 -20.274 1.00 0.00 H new ATOM 0 HA ASN A 279 -3.012 -20.166 -22.455 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -1.579 -19.155 -19.953 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -2.552 -18.182 -21.038 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -4.544 -19.736 -18.034 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -2.885 -19.129 -18.062 1.00 0.00 H new ATOM 200 N LYS A 280 -0.765 -20.274 -23.728 1.00 0.00 N ATOM 201 CA LYS A 280 0.412 -19.962 -24.532 1.00 0.00 C ATOM 202 C LYS A 280 0.549 -18.456 -24.707 1.00 0.00 C ATOM 203 O LYS A 280 1.642 -17.941 -24.942 1.00 0.00 O ATOM 204 CB LYS A 280 0.330 -20.666 -25.902 1.00 0.00 C ATOM 205 CG LYS A 280 -0.589 -19.909 -26.882 1.00 0.00 C ATOM 206 CD LYS A 280 -2.042 -19.950 -26.393 1.00 0.00 C ATOM 207 CE LYS A 280 -2.521 -21.403 -26.308 1.00 0.00 C ATOM 208 NZ LYS A 280 -3.994 -21.453 -26.535 1.00 0.00 N ATOM 0 H LYS A 280 -1.450 -20.872 -24.190 1.00 0.00 H new ATOM 0 HA LYS A 280 1.297 -20.329 -24.012 1.00 0.00 H new ATOM 0 HB2 LYS A 280 1.329 -20.746 -26.330 1.00 0.00 H new ATOM 0 HB3 LYS A 280 -0.041 -21.682 -25.767 1.00 0.00 H new ATOM 0 HG2 LYS A 280 -0.259 -18.874 -26.974 1.00 0.00 H new ATOM 0 HG3 LYS A 280 -0.520 -20.356 -27.874 1.00 0.00 H new ATOM 0 HD2 LYS A 280 -2.120 -19.474 -25.415 1.00 0.00 H new ATOM 0 HD3 LYS A 280 -2.680 -19.386 -27.073 1.00 0.00 H new ATOM 0 HE2 LYS A 280 -2.006 -22.011 -27.052 1.00 0.00 H new ATOM 0 HE3 LYS A 280 -2.278 -21.821 -25.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 -4.321 -22.439 -26.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 -4.477 -20.885 -25.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 -4.213 -21.070 -27.477 1.00 0.00 H new ATOM 222 N LYS A 281 -0.572 -17.757 -24.595 1.00 0.00 N ATOM 223 CA LYS A 281 -0.583 -16.310 -24.745 1.00 0.00 C ATOM 224 C LYS A 281 0.413 -15.666 -23.787 1.00 0.00 C ATOM 225 O LYS A 281 1.089 -14.699 -24.138 1.00 0.00 O ATOM 226 CB LYS A 281 -1.990 -15.789 -24.451 1.00 0.00 C ATOM 227 CG LYS A 281 -2.979 -16.372 -25.474 1.00 0.00 C ATOM 228 CD LYS A 281 -4.330 -16.627 -24.801 1.00 0.00 C ATOM 229 CE LYS A 281 -4.953 -15.296 -24.377 1.00 0.00 C ATOM 230 NZ LYS A 281 -5.241 -14.474 -25.587 1.00 0.00 N ATOM 0 H LYS A 281 -1.485 -18.169 -24.401 1.00 0.00 H new ATOM 0 HA LYS A 281 -0.296 -16.054 -25.765 1.00 0.00 H new ATOM 0 HB2 LYS A 281 -2.289 -16.069 -23.441 1.00 0.00 H new ATOM 0 HB3 LYS A 281 -2.003 -14.700 -24.497 1.00 0.00 H new ATOM 0 HG2 LYS A 281 -3.102 -15.682 -26.309 1.00 0.00 H new ATOM 0 HG3 LYS A 281 -2.586 -17.302 -25.885 1.00 0.00 H new ATOM 0 HD2 LYS A 281 -4.996 -17.149 -25.487 1.00 0.00 H new ATOM 0 HD3 LYS A 281 -4.199 -17.272 -23.932 1.00 0.00 H new ATOM 0 HE2 LYS A 281 -5.872 -15.474 -23.818 1.00 0.00 H new ATOM 0 HE3 LYS A 281 -4.275 -14.760 -23.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 -5.961 -13.759 -25.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 -4.370 -14.000 -25.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 -5.593 -15.089 -26.348 1.00 0.00 H new ATOM 244 N LEU A 282 0.505 -16.213 -22.578 1.00 0.00 N ATOM 245 CA LEU A 282 1.432 -15.683 -21.586 1.00 0.00 C ATOM 246 C LEU A 282 2.872 -15.889 -22.045 1.00 0.00 C ATOM 247 O LEU A 282 3.738 -15.048 -21.803 1.00 0.00 O ATOM 248 CB LEU A 282 1.219 -16.385 -20.242 1.00 0.00 C ATOM 249 CG LEU A 282 -0.234 -16.212 -19.792 1.00 0.00 C ATOM 250 CD1 LEU A 282 -0.422 -16.864 -18.421 1.00 0.00 C ATOM 251 CD2 LEU A 282 -0.568 -14.721 -19.697 1.00 0.00 C ATOM 0 H LEU A 282 -0.044 -17.013 -22.265 1.00 0.00 H new ATOM 0 HA LEU A 282 1.244 -14.616 -21.470 1.00 0.00 H new ATOM 0 HB2 LEU A 282 1.458 -17.445 -20.333 1.00 0.00 H new ATOM 0 HB3 LEU A 282 1.893 -15.969 -19.493 1.00 0.00 H new ATOM 0 HG LEU A 282 -0.897 -16.686 -20.516 1.00 0.00 H new ATOM 0 HD11 LEU A 282 -1.456 -16.742 -18.099 1.00 0.00 H new ATOM 0 HD12 LEU A 282 -0.186 -17.926 -18.488 1.00 0.00 H new ATOM 0 HD13 LEU A 282 0.242 -16.389 -17.698 1.00 0.00 H new ATOM 0 HD21 LEU A 282 -1.603 -14.600 -19.377 1.00 0.00 H new ATOM 0 HD22 LEU A 282 0.094 -14.245 -18.974 1.00 0.00 H new ATOM 0 HD23 LEU A 282 -0.433 -14.255 -20.673 1.00 0.00 H new ATOM 263 N ASP A 283 3.117 -17.013 -22.710 1.00 0.00 N ATOM 264 CA ASP A 283 4.454 -17.323 -23.202 1.00 0.00 C ATOM 265 C ASP A 283 4.729 -16.595 -24.514 1.00 0.00 C ATOM 266 O ASP A 283 3.955 -16.699 -25.466 1.00 0.00 O ATOM 267 CB ASP A 283 4.595 -18.832 -23.412 1.00 0.00 C ATOM 268 CG ASP A 283 4.529 -19.549 -22.068 1.00 0.00 C ATOM 269 OD1 ASP A 283 4.636 -18.878 -21.054 1.00 0.00 O ATOM 270 OD2 ASP A 283 4.373 -20.759 -22.070 1.00 0.00 O ATOM 0 H ASP A 283 2.412 -17.720 -22.920 1.00 0.00 H new ATOM 0 HA ASP A 283 5.179 -16.990 -22.460 1.00 0.00 H new ATOM 0 HB2 ASP A 283 3.802 -19.193 -24.066 1.00 0.00 H new ATOM 0 HB3 ASP A 283 5.541 -19.053 -23.906 1.00 0.00 H new ATOM 275 N LEU A 284 5.838 -15.869 -24.559 1.00 0.00 N ATOM 276 CA LEU A 284 6.212 -15.136 -25.761 1.00 0.00 C ATOM 277 C LEU A 284 6.648 -16.105 -26.855 1.00 0.00 C ATOM 278 O LEU A 284 6.571 -15.786 -28.041 1.00 0.00 O ATOM 279 CB LEU A 284 7.336 -14.150 -25.449 1.00 0.00 C ATOM 280 CG LEU A 284 6.819 -13.072 -24.491 1.00 0.00 C ATOM 281 CD1 LEU A 284 6.525 -13.691 -23.120 1.00 0.00 C ATOM 282 CD2 LEU A 284 7.878 -11.977 -24.341 1.00 0.00 C ATOM 0 H LEU A 284 6.491 -15.772 -23.782 1.00 0.00 H new ATOM 0 HA LEU A 284 5.345 -14.577 -26.115 1.00 0.00 H new ATOM 0 HB2 LEU A 284 8.180 -14.674 -25.002 1.00 0.00 H new ATOM 0 HB3 LEU A 284 7.697 -13.691 -26.369 1.00 0.00 H new ATOM 0 HG LEU A 284 5.902 -12.642 -24.893 1.00 0.00 H new ATOM 0 HD11 LEU A 284 6.158 -12.919 -22.444 1.00 0.00 H new ATOM 0 HD12 LEU A 284 5.770 -14.469 -23.227 1.00 0.00 H new ATOM 0 HD13 LEU A 284 7.438 -14.125 -22.713 1.00 0.00 H new ATOM 0 HD21 LEU A 284 7.513 -11.208 -23.660 1.00 0.00 H new ATOM 0 HD22 LEU A 284 8.795 -12.410 -23.941 1.00 0.00 H new ATOM 0 HD23 LEU A 284 8.081 -11.532 -25.315 1.00 0.00 H new ATOM 294 N SER A 285 7.104 -17.285 -26.433 1.00 0.00 N ATOM 295 CA SER A 285 7.557 -18.328 -27.355 1.00 0.00 C ATOM 296 C SER A 285 9.071 -18.276 -27.536 1.00 0.00 C ATOM 297 O SER A 285 9.575 -17.653 -28.468 1.00 0.00 O ATOM 298 CB SER A 285 6.866 -18.195 -28.715 1.00 0.00 C ATOM 299 OG SER A 285 7.564 -17.246 -29.511 1.00 0.00 O ATOM 0 H SER A 285 7.170 -17.544 -25.449 1.00 0.00 H new ATOM 0 HA SER A 285 7.289 -19.291 -26.920 1.00 0.00 H new ATOM 0 HB2 SER A 285 6.843 -19.161 -29.219 1.00 0.00 H new ATOM 0 HB3 SER A 285 5.831 -17.881 -28.580 1.00 0.00 H new ATOM 0 HG SER A 285 7.439 -16.349 -29.136 1.00 0.00 H new ATOM 305 N ASN A 286 9.782 -18.955 -26.637 1.00 0.00 N ATOM 306 CA ASN A 286 11.243 -19.013 -26.684 1.00 0.00 C ATOM 307 C ASN A 286 11.872 -17.642 -26.443 1.00 0.00 C ATOM 308 O ASN A 286 12.741 -17.497 -25.583 1.00 0.00 O ATOM 309 CB ASN A 286 11.705 -19.558 -28.038 1.00 0.00 C ATOM 310 CG ASN A 286 13.204 -19.837 -28.002 1.00 0.00 C ATOM 311 OD1 ASN A 286 13.991 -19.083 -28.573 1.00 0.00 O ATOM 312 ND2 ASN A 286 13.648 -20.882 -27.359 1.00 0.00 N ATOM 0 H ASN A 286 9.368 -19.475 -25.864 1.00 0.00 H new ATOM 0 HA ASN A 286 11.570 -19.680 -25.887 1.00 0.00 H new ATOM 0 HB2 ASN A 286 11.162 -20.473 -28.276 1.00 0.00 H new ATOM 0 HB3 ASN A 286 11.479 -18.839 -28.825 1.00 0.00 H new ATOM 0 HD21 ASN A 286 14.649 -21.075 -27.329 1.00 0.00 H new ATOM 0 HD22 ASN A 286 12.994 -21.506 -26.886 1.00 0.00 H new ATOM 319 N VAL A 287 11.439 -16.638 -27.200 1.00 0.00 N ATOM 320 CA VAL A 287 11.983 -15.296 -27.039 1.00 0.00 C ATOM 321 C VAL A 287 11.801 -14.825 -25.601 1.00 0.00 C ATOM 322 O VAL A 287 12.502 -13.927 -25.134 1.00 0.00 O ATOM 323 CB VAL A 287 11.294 -14.327 -28.001 1.00 0.00 C ATOM 324 CG1 VAL A 287 9.873 -14.053 -27.516 1.00 0.00 C ATOM 325 CG2 VAL A 287 12.074 -13.013 -28.048 1.00 0.00 C ATOM 0 H VAL A 287 10.723 -16.727 -27.921 1.00 0.00 H new ATOM 0 HA VAL A 287 13.048 -15.320 -27.269 1.00 0.00 H new ATOM 0 HB VAL A 287 11.262 -14.768 -28.997 1.00 0.00 H new ATOM 0 HG11 VAL A 287 9.381 -13.362 -28.201 1.00 0.00 H new ATOM 0 HG12 VAL A 287 9.314 -14.988 -27.480 1.00 0.00 H new ATOM 0 HG13 VAL A 287 9.907 -13.613 -26.520 1.00 0.00 H new ATOM 0 HG21 VAL A 287 11.583 -12.323 -28.734 1.00 0.00 H new ATOM 0 HG22 VAL A 287 12.106 -12.573 -27.051 1.00 0.00 H new ATOM 0 HG23 VAL A 287 13.090 -13.205 -28.393 1.00 0.00 H new ATOM 335 N GLN A 288 10.854 -15.446 -24.907 1.00 0.00 N ATOM 336 CA GLN A 288 10.576 -15.100 -23.519 1.00 0.00 C ATOM 337 C GLN A 288 11.868 -14.937 -22.724 1.00 0.00 C ATOM 338 O GLN A 288 11.860 -14.413 -21.614 1.00 0.00 O ATOM 339 CB GLN A 288 9.705 -16.183 -22.879 1.00 0.00 C ATOM 340 CG GLN A 288 9.347 -15.775 -21.451 1.00 0.00 C ATOM 341 CD GLN A 288 8.330 -16.750 -20.870 1.00 0.00 C ATOM 342 OE1 GLN A 288 8.011 -16.683 -19.684 1.00 0.00 O ATOM 343 NE2 GLN A 288 7.796 -17.657 -21.642 1.00 0.00 N ATOM 0 H GLN A 288 10.267 -16.191 -25.283 1.00 0.00 H new ATOM 0 HA GLN A 288 10.044 -14.148 -23.504 1.00 0.00 H new ATOM 0 HB2 GLN A 288 8.797 -16.327 -23.465 1.00 0.00 H new ATOM 0 HB3 GLN A 288 10.236 -17.135 -22.874 1.00 0.00 H new ATOM 0 HG2 GLN A 288 10.244 -15.761 -20.832 1.00 0.00 H new ATOM 0 HG3 GLN A 288 8.939 -14.764 -21.444 1.00 0.00 H new ATOM 0 HE21 GLN A 288 8.062 -17.711 -22.625 1.00 0.00 H new ATOM 0 HE22 GLN A 288 7.113 -18.312 -21.262 1.00 0.00 H new ATOM 352 N SER A 289 12.977 -15.388 -23.297 1.00 0.00 N ATOM 353 CA SER A 289 14.264 -15.281 -22.619 1.00 0.00 C ATOM 354 C SER A 289 14.387 -13.935 -21.912 1.00 0.00 C ATOM 355 O SER A 289 15.158 -13.790 -20.963 1.00 0.00 O ATOM 356 CB SER A 289 15.400 -15.423 -23.631 1.00 0.00 C ATOM 357 OG SER A 289 15.263 -16.657 -24.323 1.00 0.00 O ATOM 0 H SER A 289 13.013 -15.826 -24.217 1.00 0.00 H new ATOM 0 HA SER A 289 14.329 -16.079 -21.879 1.00 0.00 H new ATOM 0 HB2 SER A 289 15.379 -14.593 -24.337 1.00 0.00 H new ATOM 0 HB3 SER A 289 16.363 -15.384 -23.122 1.00 0.00 H new ATOM 0 HG SER A 289 15.990 -16.749 -24.974 1.00 0.00 H new ATOM 363 N LYS A 290 13.626 -12.955 -22.384 1.00 0.00 N ATOM 364 CA LYS A 290 13.661 -11.621 -21.794 1.00 0.00 C ATOM 365 C LYS A 290 13.368 -11.685 -20.297 1.00 0.00 C ATOM 366 O LYS A 290 13.879 -10.879 -19.519 1.00 0.00 O ATOM 367 CB LYS A 290 12.624 -10.726 -22.474 1.00 0.00 C ATOM 368 CG LYS A 290 12.811 -10.772 -23.993 1.00 0.00 C ATOM 369 CD LYS A 290 14.236 -10.349 -24.352 1.00 0.00 C ATOM 370 CE LYS A 290 14.295 -9.955 -25.829 1.00 0.00 C ATOM 371 NZ LYS A 290 13.731 -11.056 -26.660 1.00 0.00 N ATOM 0 H LYS A 290 12.981 -13.057 -23.168 1.00 0.00 H new ATOM 0 HA LYS A 290 14.659 -11.207 -21.941 1.00 0.00 H new ATOM 0 HB2 LYS A 290 11.619 -11.056 -22.213 1.00 0.00 H new ATOM 0 HB3 LYS A 290 12.726 -9.701 -22.117 1.00 0.00 H new ATOM 0 HG2 LYS A 290 12.617 -11.779 -24.362 1.00 0.00 H new ATOM 0 HG3 LYS A 290 12.093 -10.111 -24.477 1.00 0.00 H new ATOM 0 HD2 LYS A 290 14.546 -9.510 -23.728 1.00 0.00 H new ATOM 0 HD3 LYS A 290 14.930 -11.166 -24.155 1.00 0.00 H new ATOM 0 HE2 LYS A 290 13.733 -9.036 -25.994 1.00 0.00 H new ATOM 0 HE3 LYS A 290 15.326 -9.755 -26.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 14.251 -11.114 -27.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 13.821 -11.957 -26.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 12.727 -10.866 -26.853 1.00 0.00 H new ATOM 385 N CYS A 291 12.543 -12.648 -19.901 1.00 0.00 N ATOM 386 CA CYS A 291 12.187 -12.811 -18.496 1.00 0.00 C ATOM 387 C CYS A 291 11.244 -11.699 -18.046 1.00 0.00 C ATOM 388 O CYS A 291 10.122 -11.963 -17.613 1.00 0.00 O ATOM 389 CB CYS A 291 13.450 -12.798 -17.631 1.00 0.00 C ATOM 390 SG CYS A 291 13.172 -13.788 -16.143 1.00 0.00 S ATOM 0 H CYS A 291 12.110 -13.325 -20.529 1.00 0.00 H new ATOM 0 HA CYS A 291 11.678 -13.768 -18.380 1.00 0.00 H new ATOM 0 HB2 CYS A 291 14.293 -13.197 -18.194 1.00 0.00 H new ATOM 0 HB3 CYS A 291 13.706 -11.774 -17.357 1.00 0.00 H new ATOM 0 HG CYS A 291 14.245 -13.779 -15.409 1.00 0.00 H new ATOM 396 N GLY A 292 11.706 -10.456 -18.146 1.00 0.00 N ATOM 397 CA GLY A 292 10.889 -9.317 -17.742 1.00 0.00 C ATOM 398 C GLY A 292 11.644 -8.005 -17.928 1.00 0.00 C ATOM 399 O GLY A 292 12.717 -7.973 -18.530 1.00 0.00 O ATOM 0 H GLY A 292 12.632 -10.213 -18.499 1.00 0.00 H new ATOM 0 HA2 GLY A 292 9.971 -9.298 -18.329 1.00 0.00 H new ATOM 0 HA3 GLY A 292 10.597 -9.427 -16.698 1.00 0.00 H new ATOM 403 N SER A 293 11.074 -6.925 -17.402 1.00 0.00 N ATOM 404 CA SER A 293 11.698 -5.611 -17.510 1.00 0.00 C ATOM 405 C SER A 293 11.891 -5.223 -18.972 1.00 0.00 C ATOM 406 O SER A 293 12.652 -4.308 -19.286 1.00 0.00 O ATOM 407 CB SER A 293 13.052 -5.615 -16.799 1.00 0.00 C ATOM 408 OG SER A 293 13.554 -4.288 -16.736 1.00 0.00 O ATOM 0 H SER A 293 10.186 -6.933 -16.900 1.00 0.00 H new ATOM 0 HA SER A 293 11.041 -4.881 -17.038 1.00 0.00 H new ATOM 0 HB2 SER A 293 12.947 -6.024 -15.794 1.00 0.00 H new ATOM 0 HB3 SER A 293 13.754 -6.256 -17.332 1.00 0.00 H new ATOM 0 HG SER A 293 13.428 -3.849 -17.603 1.00 0.00 H new ATOM 414 N LYS A 294 11.195 -5.922 -19.860 1.00 0.00 N ATOM 415 CA LYS A 294 11.294 -5.642 -21.287 1.00 0.00 C ATOM 416 C LYS A 294 9.952 -5.892 -21.961 1.00 0.00 C ATOM 417 O LYS A 294 9.114 -4.996 -22.054 1.00 0.00 O ATOM 418 CB LYS A 294 12.360 -6.533 -21.918 1.00 0.00 C ATOM 419 CG LYS A 294 13.720 -6.220 -21.293 1.00 0.00 C ATOM 420 CD LYS A 294 14.799 -7.042 -21.996 1.00 0.00 C ATOM 421 CE LYS A 294 16.144 -6.822 -21.300 1.00 0.00 C ATOM 422 NZ LYS A 294 17.072 -7.932 -21.655 1.00 0.00 N ATOM 0 H LYS A 294 10.559 -6.683 -19.619 1.00 0.00 H new ATOM 0 HA LYS A 294 11.573 -4.597 -21.423 1.00 0.00 H new ATOM 0 HB2 LYS A 294 12.110 -7.583 -21.764 1.00 0.00 H new ATOM 0 HB3 LYS A 294 12.396 -6.369 -22.995 1.00 0.00 H new ATOM 0 HG2 LYS A 294 13.939 -5.156 -21.385 1.00 0.00 H new ATOM 0 HG3 LYS A 294 13.706 -6.452 -20.228 1.00 0.00 H new ATOM 0 HD2 LYS A 294 14.536 -8.100 -21.976 1.00 0.00 H new ATOM 0 HD3 LYS A 294 14.868 -6.750 -23.044 1.00 0.00 H new ATOM 0 HE2 LYS A 294 16.571 -5.866 -21.603 1.00 0.00 H new ATOM 0 HE3 LYS A 294 16.005 -6.781 -20.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 17.987 -7.784 -21.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 16.665 -8.837 -21.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 17.213 -7.950 -22.685 1.00 0.00 H new ATOM 436 N ASP A 295 9.746 -7.117 -22.421 1.00 0.00 N ATOM 437 CA ASP A 295 8.488 -7.461 -23.063 1.00 0.00 C ATOM 438 C ASP A 295 7.349 -7.304 -22.063 1.00 0.00 C ATOM 439 O ASP A 295 6.293 -6.760 -22.383 1.00 0.00 O ATOM 440 CB ASP A 295 8.535 -8.903 -23.574 1.00 0.00 C ATOM 441 CG ASP A 295 9.549 -9.022 -24.706 1.00 0.00 C ATOM 442 OD1 ASP A 295 9.976 -7.992 -25.203 1.00 0.00 O ATOM 443 OD2 ASP A 295 9.883 -10.140 -25.061 1.00 0.00 O ATOM 0 H ASP A 295 10.422 -7.878 -22.363 1.00 0.00 H new ATOM 0 HA ASP A 295 8.323 -6.794 -23.909 1.00 0.00 H new ATOM 0 HB2 ASP A 295 8.805 -9.577 -22.761 1.00 0.00 H new ATOM 0 HB3 ASP A 295 7.548 -9.205 -23.925 1.00 0.00 H new ATOM 448 N ASN A 296 7.587 -7.775 -20.841 1.00 0.00 N ATOM 449 CA ASN A 296 6.592 -7.676 -19.781 1.00 0.00 C ATOM 450 C ASN A 296 6.691 -6.325 -19.079 1.00 0.00 C ATOM 451 O ASN A 296 5.892 -6.016 -18.199 1.00 0.00 O ATOM 452 CB ASN A 296 6.800 -8.799 -18.764 1.00 0.00 C ATOM 453 CG ASN A 296 6.713 -10.154 -19.458 1.00 0.00 C ATOM 454 OD1 ASN A 296 7.538 -11.034 -19.209 1.00 0.00 O ATOM 455 ND2 ASN A 296 5.758 -10.377 -20.317 1.00 0.00 N ATOM 0 H ASN A 296 8.458 -8.227 -20.563 1.00 0.00 H new ATOM 0 HA ASN A 296 5.602 -7.769 -20.227 1.00 0.00 H new ATOM 0 HB2 ASN A 296 7.772 -8.689 -18.283 1.00 0.00 H new ATOM 0 HB3 ASN A 296 6.046 -8.734 -17.979 1.00 0.00 H new ATOM 0 HD21 ASN A 296 5.693 -11.281 -20.784 1.00 0.00 H new ATOM 0 HD22 ASN A 296 5.076 -9.647 -20.522 1.00 0.00 H new ATOM 462 N ILE A 297 7.679 -5.524 -19.471 1.00 0.00 N ATOM 463 CA ILE A 297 7.870 -4.211 -18.861 1.00 0.00 C ATOM 464 C ILE A 297 6.540 -3.458 -18.855 1.00 0.00 C ATOM 465 O ILE A 297 6.289 -2.610 -18.000 1.00 0.00 O ATOM 466 CB ILE A 297 8.943 -3.440 -19.650 1.00 0.00 C ATOM 467 CG1 ILE A 297 9.674 -2.446 -18.734 1.00 0.00 C ATOM 468 CG2 ILE A 297 8.310 -2.689 -20.826 1.00 0.00 C ATOM 469 CD1 ILE A 297 8.692 -1.440 -18.126 1.00 0.00 C ATOM 0 H ILE A 297 8.353 -5.758 -20.200 1.00 0.00 H new ATOM 0 HA ILE A 297 8.208 -4.316 -17.830 1.00 0.00 H new ATOM 0 HB ILE A 297 9.663 -4.161 -20.037 1.00 0.00 H new ATOM 0 HG12 ILE A 297 10.186 -2.987 -17.938 1.00 0.00 H new ATOM 0 HG13 ILE A 297 10.439 -1.916 -19.302 1.00 0.00 H new ATOM 0 HG21 ILE A 297 9.084 -2.150 -21.372 1.00 0.00 H new ATOM 0 HG22 ILE A 297 7.824 -3.401 -21.493 1.00 0.00 H new ATOM 0 HG23 ILE A 297 7.571 -1.981 -20.450 1.00 0.00 H new ATOM 0 HD11 ILE A 297 9.233 -0.747 -17.482 1.00 0.00 H new ATOM 0 HD12 ILE A 297 8.200 -0.884 -18.924 1.00 0.00 H new ATOM 0 HD13 ILE A 297 7.943 -1.972 -17.539 1.00 0.00 H new ATOM 481 N LYS A 298 5.681 -3.809 -19.802 1.00 0.00 N ATOM 482 CA LYS A 298 4.362 -3.197 -19.903 1.00 0.00 C ATOM 483 C LYS A 298 3.471 -3.662 -18.760 1.00 0.00 C ATOM 484 O LYS A 298 2.247 -3.564 -18.837 1.00 0.00 O ATOM 485 CB LYS A 298 3.721 -3.565 -21.241 1.00 0.00 C ATOM 486 CG LYS A 298 3.628 -5.087 -21.357 1.00 0.00 C ATOM 487 CD LYS A 298 3.007 -5.461 -22.705 1.00 0.00 C ATOM 488 CE LYS A 298 3.952 -5.053 -23.838 1.00 0.00 C ATOM 489 NZ LYS A 298 3.703 -5.916 -25.027 1.00 0.00 N ATOM 0 H LYS A 298 5.874 -4.515 -20.512 1.00 0.00 H new ATOM 0 HA LYS A 298 4.474 -2.115 -19.841 1.00 0.00 H new ATOM 0 HB2 LYS A 298 2.728 -3.122 -21.315 1.00 0.00 H new ATOM 0 HB3 LYS A 298 4.312 -3.162 -22.063 1.00 0.00 H new ATOM 0 HG2 LYS A 298 4.620 -5.530 -21.266 1.00 0.00 H new ATOM 0 HG3 LYS A 298 3.024 -5.488 -20.543 1.00 0.00 H new ATOM 0 HD2 LYS A 298 2.818 -6.534 -22.744 1.00 0.00 H new ATOM 0 HD3 LYS A 298 2.045 -4.963 -22.824 1.00 0.00 H new ATOM 0 HE2 LYS A 298 3.796 -4.006 -24.096 1.00 0.00 H new ATOM 0 HE3 LYS A 298 4.988 -5.151 -23.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 4.345 -5.639 -25.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 3.873 -6.911 -24.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 2.718 -5.801 -25.339 1.00 0.00 H new ATOM 503 N HIS A 299 4.097 -4.182 -17.706 1.00 0.00 N ATOM 504 CA HIS A 299 3.359 -4.669 -16.545 1.00 0.00 C ATOM 505 C HIS A 299 3.458 -3.683 -15.380 1.00 0.00 C ATOM 506 O HIS A 299 4.457 -2.981 -15.223 1.00 0.00 O ATOM 507 CB HIS A 299 3.913 -6.013 -16.115 1.00 0.00 C ATOM 508 CG HIS A 299 5.349 -5.857 -15.730 1.00 0.00 C ATOM 509 ND1 HIS A 299 6.020 -4.646 -15.801 1.00 0.00 N ATOM 510 CD2 HIS A 299 6.258 -6.762 -15.279 1.00 0.00 C ATOM 511 CE1 HIS A 299 7.285 -4.863 -15.397 1.00 0.00 C ATOM 512 NE2 HIS A 299 7.483 -6.141 -15.066 1.00 0.00 N ATOM 0 H HIS A 299 5.110 -4.276 -17.633 1.00 0.00 H new ATOM 0 HA HIS A 299 2.311 -4.772 -16.825 1.00 0.00 H new ATOM 0 HB2 HIS A 299 3.340 -6.403 -15.274 1.00 0.00 H new ATOM 0 HB3 HIS A 299 3.819 -6.734 -16.927 1.00 0.00 H new ATOM 0 HD1 HIS A 299 5.627 -3.755 -16.104 1.00 0.00 H new ATOM 0 HD2 HIS A 299 6.058 -7.810 -15.111 1.00 0.00 H new ATOM 0 HE1 HIS A 299 8.046 -4.098 -15.347 1.00 0.00 H new ATOM 521 N VAL A 300 2.400 -3.631 -14.579 1.00 0.00 N ATOM 522 CA VAL A 300 2.346 -2.725 -13.437 1.00 0.00 C ATOM 523 C VAL A 300 3.615 -2.799 -12.592 1.00 0.00 C ATOM 524 O VAL A 300 4.151 -1.766 -12.188 1.00 0.00 O ATOM 525 CB VAL A 300 1.130 -3.055 -12.577 1.00 0.00 C ATOM 526 CG1 VAL A 300 1.163 -2.213 -11.302 1.00 0.00 C ATOM 527 CG2 VAL A 300 -0.135 -2.729 -13.372 1.00 0.00 C ATOM 0 H VAL A 300 1.566 -4.206 -14.699 1.00 0.00 H new ATOM 0 HA VAL A 300 2.264 -1.708 -13.821 1.00 0.00 H new ATOM 0 HB VAL A 300 1.139 -4.111 -12.308 1.00 0.00 H new ATOM 0 HG11 VAL A 300 0.294 -2.449 -10.688 1.00 0.00 H new ATOM 0 HG12 VAL A 300 2.073 -2.434 -10.744 1.00 0.00 H new ATOM 0 HG13 VAL A 300 1.146 -1.155 -11.564 1.00 0.00 H new ATOM 0 HG21 VAL A 300 -1.013 -2.960 -12.769 1.00 0.00 H new ATOM 0 HG22 VAL A 300 -0.140 -1.670 -13.629 1.00 0.00 H new ATOM 0 HG23 VAL A 300 -0.155 -3.324 -14.285 1.00 0.00 H new ATOM 537 N PRO A 301 4.115 -3.976 -12.325 1.00 0.00 N ATOM 538 CA PRO A 301 5.352 -4.105 -11.522 1.00 0.00 C ATOM 539 C PRO A 301 6.429 -3.134 -12.002 1.00 0.00 C ATOM 540 O PRO A 301 7.443 -2.931 -11.335 1.00 0.00 O ATOM 541 CB PRO A 301 5.765 -5.568 -11.735 1.00 0.00 C ATOM 542 CG PRO A 301 4.539 -6.281 -12.252 1.00 0.00 C ATOM 543 CD PRO A 301 3.406 -5.257 -12.306 1.00 0.00 C ATOM 0 HA PRO A 301 5.206 -3.862 -10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 301 6.587 -5.641 -12.447 1.00 0.00 H new ATOM 0 HB3 PRO A 301 6.111 -6.015 -10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 301 4.726 -6.699 -13.241 1.00 0.00 H new ATOM 0 HG3 PRO A 301 4.274 -7.113 -11.599 1.00 0.00 H new ATOM 0 HD2 PRO A 301 2.787 -5.388 -13.193 1.00 0.00 H new ATOM 0 HD3 PRO A 301 2.747 -5.340 -11.442 1.00 0.00 H new ATOM 551 N GLY A 302 6.184 -2.531 -13.162 1.00 0.00 N ATOM 552 CA GLY A 302 7.120 -1.571 -13.732 1.00 0.00 C ATOM 553 C GLY A 302 6.403 -0.628 -14.695 1.00 0.00 C ATOM 554 O GLY A 302 6.982 -0.180 -15.686 1.00 0.00 O ATOM 0 H GLY A 302 5.347 -2.691 -13.723 1.00 0.00 H new ATOM 0 HA2 GLY A 302 7.590 -0.996 -12.934 1.00 0.00 H new ATOM 0 HA3 GLY A 302 7.916 -2.099 -14.257 1.00 0.00 H new ATOM 558 N GLY A 303 5.139 -0.334 -14.400 1.00 0.00 N ATOM 559 CA GLY A 303 4.351 0.553 -15.251 1.00 0.00 C ATOM 560 C GLY A 303 3.686 -0.229 -16.378 1.00 0.00 C ATOM 561 O GLY A 303 4.232 -0.337 -17.476 1.00 0.00 O ATOM 0 H GLY A 303 4.642 -0.694 -13.585 1.00 0.00 H new ATOM 0 HA2 GLY A 303 3.591 1.057 -14.654 1.00 0.00 H new ATOM 0 HA3 GLY A 303 4.993 1.328 -15.669 1.00 0.00 H new ATOM 565 N GLY A 304 2.508 -0.784 -16.098 1.00 0.00 N ATOM 566 CA GLY A 304 1.783 -1.567 -17.098 1.00 0.00 C ATOM 567 C GLY A 304 0.311 -1.171 -17.164 1.00 0.00 C ATOM 568 O GLY A 304 -0.159 -0.343 -16.385 1.00 0.00 O ATOM 0 H GLY A 304 2.038 -0.708 -15.196 1.00 0.00 H new ATOM 0 HA2 GLY A 304 2.243 -1.424 -18.076 1.00 0.00 H new ATOM 0 HA3 GLY A 304 1.865 -2.627 -16.859 1.00 0.00 H new ATOM 572 N SER A 305 -0.408 -1.784 -18.101 1.00 0.00 N ATOM 573 CA SER A 305 -1.832 -1.511 -18.271 1.00 0.00 C ATOM 574 C SER A 305 -2.660 -2.424 -17.371 1.00 0.00 C ATOM 575 O SER A 305 -3.880 -2.499 -17.507 1.00 0.00 O ATOM 576 CB SER A 305 -2.235 -1.727 -19.731 1.00 0.00 C ATOM 577 OG SER A 305 -2.328 -3.120 -19.991 1.00 0.00 O ATOM 0 H SER A 305 -0.029 -2.471 -18.752 1.00 0.00 H new ATOM 0 HA SER A 305 -2.022 -0.474 -17.993 1.00 0.00 H new ATOM 0 HB2 SER A 305 -3.191 -1.243 -19.932 1.00 0.00 H new ATOM 0 HB3 SER A 305 -1.501 -1.270 -20.394 1.00 0.00 H new ATOM 0 HG SER A 305 -1.709 -3.604 -19.405 1.00 0.00 H new ATOM 583 N VAL A 306 -1.979 -3.120 -16.461 1.00 0.00 N ATOM 584 CA VAL A 306 -2.637 -4.041 -15.534 1.00 0.00 C ATOM 585 C VAL A 306 -2.943 -5.372 -16.213 1.00 0.00 C ATOM 586 O VAL A 306 -4.063 -5.607 -16.668 1.00 0.00 O ATOM 587 CB VAL A 306 -3.935 -3.434 -14.982 1.00 0.00 C ATOM 588 CG1 VAL A 306 -4.326 -4.173 -13.699 1.00 0.00 C ATOM 589 CG2 VAL A 306 -3.729 -1.942 -14.674 1.00 0.00 C ATOM 0 H VAL A 306 -0.967 -3.063 -16.346 1.00 0.00 H new ATOM 0 HA VAL A 306 -1.950 -4.216 -14.706 1.00 0.00 H new ATOM 0 HB VAL A 306 -4.727 -3.535 -15.724 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -5.247 -3.748 -13.301 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -4.480 -5.229 -13.920 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -3.530 -4.069 -12.962 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -4.655 -1.520 -14.283 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -2.938 -1.829 -13.933 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -3.448 -1.417 -15.587 1.00 0.00 H new ATOM 599 N GLN A 307 -1.938 -6.243 -16.270 1.00 0.00 N ATOM 600 CA GLN A 307 -2.099 -7.560 -16.887 1.00 0.00 C ATOM 601 C GLN A 307 -1.739 -8.657 -15.887 1.00 0.00 C ATOM 602 O GLN A 307 -2.587 -9.114 -15.121 1.00 0.00 O ATOM 603 CB GLN A 307 -1.202 -7.670 -18.127 1.00 0.00 C ATOM 604 CG GLN A 307 0.010 -6.750 -17.969 1.00 0.00 C ATOM 605 CD GLN A 307 -0.411 -5.296 -18.155 1.00 0.00 C ATOM 606 OE1 GLN A 307 -1.106 -4.968 -19.117 1.00 0.00 O ATOM 607 NE2 GLN A 307 -0.029 -4.401 -17.287 1.00 0.00 N ATOM 0 H GLN A 307 -1.006 -6.063 -15.898 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.140 -7.683 -17.187 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -0.874 -8.701 -18.260 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -1.764 -7.397 -19.020 1.00 0.00 H new ATOM 0 HG2 GLN A 307 0.454 -6.885 -16.983 1.00 0.00 H new ATOM 0 HG3 GLN A 307 0.774 -7.012 -18.701 1.00 0.00 H new ATOM 0 HE21 GLN A 307 0.547 -4.676 -16.491 1.00 0.00 H new ATOM 0 HE22 GLN A 307 -0.306 -3.426 -17.404 1.00 0.00 H new ATOM 616 N ILE A 308 -0.475 -9.073 -15.899 1.00 0.00 N ATOM 617 CA ILE A 308 -0.012 -10.115 -14.986 1.00 0.00 C ATOM 618 C ILE A 308 -0.179 -9.671 -13.536 1.00 0.00 C ATOM 619 O ILE A 308 -0.708 -10.411 -12.708 1.00 0.00 O ATOM 620 CB ILE A 308 1.461 -10.448 -15.268 1.00 0.00 C ATOM 621 CG1 ILE A 308 2.303 -9.156 -15.332 1.00 0.00 C ATOM 622 CG2 ILE A 308 1.559 -11.175 -16.611 1.00 0.00 C ATOM 623 CD1 ILE A 308 2.782 -8.732 -13.932 1.00 0.00 C ATOM 0 H ILE A 308 0.242 -8.708 -16.526 1.00 0.00 H new ATOM 0 HA ILE A 308 -0.616 -11.008 -15.147 1.00 0.00 H new ATOM 0 HB ILE A 308 1.842 -11.080 -14.465 1.00 0.00 H new ATOM 0 HG12 ILE A 308 3.164 -9.312 -15.982 1.00 0.00 H new ATOM 0 HG13 ILE A 308 1.711 -8.355 -15.774 1.00 0.00 H new ATOM 0 HG21 ILE A 308 2.602 -11.415 -16.819 1.00 0.00 H new ATOM 0 HG22 ILE A 308 0.976 -12.095 -16.570 1.00 0.00 H new ATOM 0 HG23 ILE A 308 1.170 -10.533 -17.401 1.00 0.00 H new ATOM 0 HD11 ILE A 308 3.372 -7.819 -14.010 1.00 0.00 H new ATOM 0 HD12 ILE A 308 1.919 -8.552 -13.291 1.00 0.00 H new ATOM 0 HD13 ILE A 308 3.395 -9.524 -13.502 1.00 0.00 H new ATOM 635 N VAL A 309 0.263 -8.451 -13.248 1.00 0.00 N ATOM 636 CA VAL A 309 0.162 -7.887 -11.903 1.00 0.00 C ATOM 637 C VAL A 309 0.465 -8.930 -10.824 1.00 0.00 C ATOM 638 O VAL A 309 0.198 -8.701 -9.644 1.00 0.00 O ATOM 639 CB VAL A 309 -1.247 -7.325 -11.687 1.00 0.00 C ATOM 640 CG1 VAL A 309 -1.305 -6.556 -10.362 1.00 0.00 C ATOM 641 CG2 VAL A 309 -1.596 -6.384 -12.843 1.00 0.00 C ATOM 0 H VAL A 309 0.697 -7.830 -13.931 1.00 0.00 H new ATOM 0 HA VAL A 309 0.903 -7.092 -11.819 1.00 0.00 H new ATOM 0 HB VAL A 309 -1.963 -8.146 -11.652 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -2.310 -6.159 -10.215 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -1.056 -7.228 -9.540 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -0.590 -5.733 -10.387 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -2.598 -5.981 -12.694 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -0.877 -5.566 -12.876 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -1.562 -6.934 -13.783 1.00 0.00 H new ATOM 651 N TYR A 310 1.022 -10.070 -11.220 1.00 0.00 N ATOM 652 CA TYR A 310 1.345 -11.116 -10.257 1.00 0.00 C ATOM 653 C TYR A 310 2.640 -10.771 -9.519 1.00 0.00 C ATOM 654 O TYR A 310 2.980 -11.394 -8.514 1.00 0.00 O ATOM 655 CB TYR A 310 1.441 -12.483 -10.969 1.00 0.00 C ATOM 656 CG TYR A 310 2.881 -12.906 -11.181 1.00 0.00 C ATOM 657 CD1 TYR A 310 3.667 -12.274 -12.152 1.00 0.00 C ATOM 658 CD2 TYR A 310 3.421 -13.944 -10.412 1.00 0.00 C ATOM 659 CE1 TYR A 310 4.990 -12.681 -12.353 1.00 0.00 C ATOM 660 CE2 TYR A 310 4.745 -14.349 -10.612 1.00 0.00 C ATOM 661 CZ TYR A 310 5.530 -13.718 -11.583 1.00 0.00 C ATOM 662 OH TYR A 310 6.835 -14.120 -11.784 1.00 0.00 O ATOM 0 H TYR A 310 1.256 -10.291 -12.188 1.00 0.00 H new ATOM 0 HA TYR A 310 0.548 -11.183 -9.516 1.00 0.00 H new ATOM 0 HB2 TYR A 310 0.923 -13.238 -10.378 1.00 0.00 H new ATOM 0 HB3 TYR A 310 0.933 -12.428 -11.932 1.00 0.00 H new ATOM 0 HD1 TYR A 310 3.252 -11.473 -12.745 1.00 0.00 H new ATOM 0 HD2 TYR A 310 2.815 -14.433 -9.664 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.596 -12.195 -13.103 1.00 0.00 H new ATOM 0 HE2 TYR A 310 5.161 -15.149 -10.017 1.00 0.00 H new ATOM 0 HH TYR A 310 7.051 -14.849 -11.166 1.00 0.00 H new ATOM 672 N LYS A 311 3.348 -9.764 -10.027 1.00 0.00 N ATOM 673 CA LYS A 311 4.598 -9.328 -9.412 1.00 0.00 C ATOM 674 C LYS A 311 5.730 -10.311 -9.715 1.00 0.00 C ATOM 675 O LYS A 311 5.889 -11.316 -9.022 1.00 0.00 O ATOM 676 CB LYS A 311 4.419 -9.213 -7.895 1.00 0.00 C ATOM 677 CG LYS A 311 5.416 -8.193 -7.336 1.00 0.00 C ATOM 678 CD LYS A 311 5.168 -8.007 -5.838 1.00 0.00 C ATOM 679 CE LYS A 311 6.391 -7.350 -5.195 1.00 0.00 C ATOM 680 NZ LYS A 311 6.754 -6.122 -5.957 1.00 0.00 N ATOM 0 H LYS A 311 3.079 -9.238 -10.858 1.00 0.00 H new ATOM 0 HA LYS A 311 4.860 -8.355 -9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 311 3.400 -8.906 -7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 311 4.575 -10.184 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 311 6.437 -8.535 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 311 5.308 -7.240 -7.855 1.00 0.00 H new ATOM 0 HD2 LYS A 311 4.284 -7.389 -5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 311 4.971 -8.971 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 311 6.177 -7.097 -4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 311 7.229 -8.047 -5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 7.353 -5.511 -5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 7.274 -6.388 -6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 5.889 -5.608 -6.220 1.00 0.00 H new ATOM 694 N PRO A 312 6.515 -10.040 -10.727 1.00 0.00 N ATOM 695 CA PRO A 312 7.653 -10.926 -11.111 1.00 0.00 C ATOM 696 C PRO A 312 8.724 -10.987 -10.026 1.00 0.00 C ATOM 697 O PRO A 312 8.790 -10.063 -9.233 1.00 0.00 O ATOM 698 CB PRO A 312 8.200 -10.280 -12.384 1.00 0.00 C ATOM 699 CG PRO A 312 7.045 -9.558 -12.991 1.00 0.00 C ATOM 700 CD PRO A 312 6.113 -9.168 -11.842 1.00 0.00 C ATOM 701 OXT PRO A 312 9.462 -11.958 -10.005 1.00 0.00 O ATOM 0 HA PRO A 312 7.338 -11.960 -11.255 1.00 0.00 H new ATOM 0 HB2 PRO A 312 9.016 -9.594 -12.157 1.00 0.00 H new ATOM 0 HB3 PRO A 312 8.596 -11.032 -13.067 1.00 0.00 H new ATOM 0 HG2 PRO A 312 7.383 -8.674 -13.532 1.00 0.00 H new ATOM 0 HG3 PRO A 312 6.527 -10.193 -13.710 1.00 0.00 H new ATOM 0 HD2 PRO A 312 6.223 -8.115 -11.582 1.00 0.00 H new ATOM 0 HD3 PRO A 312 5.068 -9.323 -12.109 1.00 0.00 H new TER 709 PRO A 312