USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=9 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 269 GLN : amide:sc= -1.33! K(o=-1.3!,f=1.8) USER MOD Set 1.2: A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 267 LYS NZ :NH3+ 155:sc= -0.354 (180deg=-1.14) USER MOD Single : A 268 HIS : no HD1:sc= -0.365 X(o=-0.36,f=-0.37) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= -0.814 K(o=-0.81,f=-2.7!) USER MOD Single : A 279 ASN : amide:sc= -5.27! K(o=-5.3!,f=-0.96) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0152) USER MOD Single : A 286 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.4) USER MOD Single : A 288 GLN : amide:sc= 0.541 K(o=0.54,f=-1) USER MOD Single : A 289 SER OG : rot -40:sc= 0.715 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 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 298 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 299 HIS : no HD1:sc= -8.42! C(o=-8.4!,f=-6.5!) USER MOD Single : A 305 SER OG : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= -5.73! K(o=-5.7!,f=-1.3) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ -166:sc= -0.565 (180deg=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 -12.802 3.381 0.936 1.00 0.00 N ATOM 2 CA LYS A 267 -13.399 2.120 1.361 1.00 0.00 C ATOM 3 C LYS A 267 -14.881 2.083 1.006 1.00 0.00 C ATOM 4 O LYS A 267 -15.618 3.030 1.282 1.00 0.00 O ATOM 5 CB LYS A 267 -13.230 1.944 2.871 1.00 0.00 C ATOM 6 CG LYS A 267 -13.732 0.559 3.283 1.00 0.00 C ATOM 7 CD LYS A 267 -13.468 0.337 4.776 1.00 0.00 C ATOM 8 CE LYS A 267 -14.295 1.321 5.610 1.00 0.00 C ATOM 9 NZ LYS A 267 -15.655 1.467 5.014 1.00 0.00 N ATOM 0 HA LYS A 267 -12.892 1.307 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 267 -12.182 2.059 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 267 -13.786 2.717 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 267 -14.798 0.472 3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 267 -13.229 -0.210 2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 267 -13.722 -0.687 5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 267 -12.407 0.470 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 267 -14.374 0.965 6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 267 -13.797 2.290 5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 -16.327 1.763 5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 -15.629 2.184 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 -15.958 0.556 4.614 1.00 0.00 H new ATOM 23 N HIS A 268 -15.312 0.984 0.394 1.00 0.00 N ATOM 24 CA HIS A 268 -16.710 0.836 0.006 1.00 0.00 C ATOM 25 C HIS A 268 -17.137 1.979 -0.909 1.00 0.00 C ATOM 26 O HIS A 268 -16.670 3.109 -0.768 1.00 0.00 O ATOM 27 CB HIS A 268 -17.599 0.819 1.252 1.00 0.00 C ATOM 28 CG HIS A 268 -19.018 0.527 0.852 1.00 0.00 C ATOM 29 ND1 HIS A 268 -19.400 -0.694 0.317 1.00 0.00 N ATOM 30 CD2 HIS A 268 -20.161 1.287 0.902 1.00 0.00 C ATOM 31 CE1 HIS A 268 -20.721 -0.634 0.069 1.00 0.00 C ATOM 32 NE2 HIS A 268 -21.234 0.552 0.408 1.00 0.00 N ATOM 0 H HIS A 268 -14.718 0.189 0.158 1.00 0.00 H new ATOM 0 HA HIS A 268 -16.820 -0.105 -0.532 1.00 0.00 H new ATOM 0 HB2 HIS A 268 -17.245 0.064 1.954 1.00 0.00 H new ATOM 0 HB3 HIS A 268 -17.545 1.780 1.764 1.00 0.00 H new ATOM 0 HD2 HIS A 268 -20.218 2.301 1.269 1.00 0.00 H new ATOM 0 HE1 HIS A 268 -21.296 -1.445 -0.352 1.00 0.00 H new ATOM 0 HE2 HIS A 268 -22.205 0.854 0.323 1.00 0.00 H new ATOM 41 N GLN A 269 -18.027 1.677 -1.848 1.00 0.00 N ATOM 42 CA GLN A 269 -18.508 2.690 -2.781 1.00 0.00 C ATOM 43 C GLN A 269 -19.162 3.840 -2.013 1.00 0.00 C ATOM 44 O GLN A 269 -19.773 3.630 -0.965 1.00 0.00 O ATOM 45 CB GLN A 269 -19.512 2.066 -3.763 1.00 0.00 C ATOM 46 CG GLN A 269 -20.081 0.775 -3.167 1.00 0.00 C ATOM 47 CD GLN A 269 -21.271 0.297 -3.993 1.00 0.00 C ATOM 48 OE1 GLN A 269 -21.488 -0.908 -4.130 1.00 0.00 O ATOM 49 NE2 GLN A 269 -22.059 1.171 -4.556 1.00 0.00 N ATOM 0 H GLN A 269 -18.427 0.748 -1.983 1.00 0.00 H new ATOM 0 HA GLN A 269 -17.663 3.082 -3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 269 -20.319 2.769 -3.970 1.00 0.00 H new ATOM 0 HB3 GLN A 269 -19.022 1.854 -4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 269 -19.310 0.005 -3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 269 -20.389 0.946 -2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 269 -21.879 2.168 -4.442 1.00 0.00 H new ATOM 0 HE22 GLN A 269 -22.856 0.857 -5.110 1.00 0.00 H new ATOM 58 N PRO A 270 -19.036 5.043 -2.510 1.00 0.00 N ATOM 59 CA PRO A 270 -19.622 6.244 -1.844 1.00 0.00 C ATOM 60 C PRO A 270 -21.130 6.119 -1.645 1.00 0.00 C ATOM 61 O PRO A 270 -21.694 6.705 -0.720 1.00 0.00 O ATOM 62 CB PRO A 270 -19.290 7.387 -2.805 1.00 0.00 C ATOM 63 CG PRO A 270 -19.161 6.751 -4.148 1.00 0.00 C ATOM 64 CD PRO A 270 -18.677 5.320 -3.912 1.00 0.00 C ATOM 0 HA PRO A 270 -19.220 6.392 -0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 270 -20.075 8.143 -2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 270 -18.365 7.887 -2.517 1.00 0.00 H new ATOM 0 HG2 PRO A 270 -20.117 6.755 -4.671 1.00 0.00 H new ATOM 0 HG3 PRO A 270 -18.455 7.301 -4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 270 -19.160 4.619 -4.593 1.00 0.00 H new ATOM 0 HD3 PRO A 270 -17.603 5.231 -4.073 1.00 0.00 H new ATOM 72 N GLY A 271 -21.778 5.357 -2.517 1.00 0.00 N ATOM 73 CA GLY A 271 -23.220 5.167 -2.426 1.00 0.00 C ATOM 74 C GLY A 271 -23.955 6.271 -3.177 1.00 0.00 C ATOM 75 O GLY A 271 -25.184 6.274 -3.252 1.00 0.00 O ATOM 0 H GLY A 271 -21.332 4.864 -3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 271 -23.491 4.196 -2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 271 -23.527 5.165 -1.380 1.00 0.00 H new ATOM 79 N GLY A 272 -23.191 7.206 -3.732 1.00 0.00 N ATOM 80 CA GLY A 272 -23.774 8.314 -4.479 1.00 0.00 C ATOM 81 C GLY A 272 -24.010 9.522 -3.578 1.00 0.00 C ATOM 82 O GLY A 272 -24.508 10.553 -4.029 1.00 0.00 O ATOM 0 H GLY A 272 -22.172 7.219 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 272 -23.112 8.592 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 272 -24.718 7.999 -4.925 1.00 0.00 H new ATOM 86 N GLY A 273 -23.654 9.389 -2.302 1.00 0.00 N ATOM 87 CA GLY A 273 -23.840 10.484 -1.355 1.00 0.00 C ATOM 88 C GLY A 273 -22.607 11.379 -1.294 1.00 0.00 C ATOM 89 O GLY A 273 -22.552 12.421 -1.947 1.00 0.00 O ATOM 0 H GLY A 273 -23.241 8.545 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 273 -24.708 11.076 -1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 273 -24.048 10.080 -0.364 1.00 0.00 H new ATOM 93 N LYS A 274 -21.616 10.965 -0.508 1.00 0.00 N ATOM 94 CA LYS A 274 -20.388 11.740 -0.373 1.00 0.00 C ATOM 95 C LYS A 274 -19.684 11.849 -1.724 1.00 0.00 C ATOM 96 O LYS A 274 -19.051 12.860 -2.030 1.00 0.00 O ATOM 97 CB LYS A 274 -19.458 11.079 0.646 1.00 0.00 C ATOM 98 CG LYS A 274 -18.374 12.073 1.064 1.00 0.00 C ATOM 99 CD LYS A 274 -17.403 11.392 2.031 1.00 0.00 C ATOM 100 CE LYS A 274 -16.383 12.413 2.538 1.00 0.00 C ATOM 101 NZ LYS A 274 -15.314 11.712 3.305 1.00 0.00 N ATOM 0 H LYS A 274 -21.639 10.105 0.040 1.00 0.00 H new ATOM 0 HA LYS A 274 -20.642 12.741 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 274 -20.027 10.756 1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 274 -19.003 10.188 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 274 -17.837 12.433 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 274 -18.827 12.943 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 274 -17.951 10.963 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 274 -16.892 10.570 1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 274 -15.947 12.954 1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 274 -16.876 13.151 3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 -14.621 12.407 3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 -15.737 11.215 4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 -14.837 11.025 2.687 1.00 0.00 H new ATOM 115 N VAL A 275 -19.812 10.799 -2.529 1.00 0.00 N ATOM 116 CA VAL A 275 -19.199 10.769 -3.855 1.00 0.00 C ATOM 117 C VAL A 275 -17.711 11.113 -3.793 1.00 0.00 C ATOM 118 O VAL A 275 -17.112 11.474 -4.805 1.00 0.00 O ATOM 119 CB VAL A 275 -19.917 11.759 -4.779 1.00 0.00 C ATOM 120 CG1 VAL A 275 -19.371 11.632 -6.207 1.00 0.00 C ATOM 121 CG2 VAL A 275 -21.420 11.456 -4.776 1.00 0.00 C ATOM 0 H VAL A 275 -20.334 9.957 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 275 -19.296 9.757 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 275 -19.746 12.774 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 275 -19.886 12.339 -6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 275 -18.303 11.849 -6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 275 -19.536 10.618 -6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 275 -21.934 12.158 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 275 -21.587 10.439 -5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 275 -21.809 11.555 -3.763 1.00 0.00 H new ATOM 131 N GLN A 276 -17.112 10.996 -2.612 1.00 0.00 N ATOM 132 CA GLN A 276 -15.689 11.295 -2.470 1.00 0.00 C ATOM 133 C GLN A 276 -14.876 10.473 -3.464 1.00 0.00 C ATOM 134 O GLN A 276 -13.907 10.960 -4.046 1.00 0.00 O ATOM 135 CB GLN A 276 -15.217 10.975 -1.050 1.00 0.00 C ATOM 136 CG GLN A 276 -13.797 11.507 -0.855 1.00 0.00 C ATOM 137 CD GLN A 276 -13.829 13.024 -0.708 1.00 0.00 C ATOM 138 OE1 GLN A 276 -14.176 13.538 0.355 1.00 0.00 O ATOM 139 NE2 GLN A 276 -13.496 13.774 -1.721 1.00 0.00 N ATOM 0 H GLN A 276 -17.578 10.702 -1.754 1.00 0.00 H new ATOM 0 HA GLN A 276 -15.542 12.356 -2.669 1.00 0.00 H new ATOM 0 HB2 GLN A 276 -15.890 11.427 -0.321 1.00 0.00 H new ATOM 0 HB3 GLN A 276 -15.240 9.898 -0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 276 -13.348 11.056 0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 276 -13.174 11.228 -1.705 1.00 0.00 H new ATOM 0 HE21 GLN A 276 -13.209 13.345 -2.601 1.00 0.00 H new ATOM 0 HE22 GLN A 276 -13.523 14.790 -1.634 1.00 0.00 H new ATOM 148 N ILE A 277 -15.284 9.222 -3.649 1.00 0.00 N ATOM 149 CA ILE A 277 -14.599 8.326 -4.573 1.00 0.00 C ATOM 150 C ILE A 277 -14.775 8.796 -6.013 1.00 0.00 C ATOM 151 O ILE A 277 -14.010 8.409 -6.895 1.00 0.00 O ATOM 152 CB ILE A 277 -15.156 6.907 -4.433 1.00 0.00 C ATOM 153 CG1 ILE A 277 -15.089 6.465 -2.966 1.00 0.00 C ATOM 154 CG2 ILE A 277 -14.328 5.949 -5.289 1.00 0.00 C ATOM 155 CD1 ILE A 277 -13.673 6.673 -2.424 1.00 0.00 C ATOM 0 H ILE A 277 -16.084 8.806 -3.172 1.00 0.00 H new ATOM 0 HA ILE A 277 -13.537 8.331 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 277 -16.194 6.894 -4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 277 -15.803 7.036 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 277 -15.370 5.415 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 277 -14.724 4.938 -5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 277 -14.378 6.258 -6.333 1.00 0.00 H new ATOM 0 HG23 ILE A 277 -13.291 5.967 -4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 277 -13.632 6.357 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 277 -12.969 6.082 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 277 -13.408 7.728 -2.494 1.00 0.00 H new ATOM 167 N ILE A 278 -15.803 9.611 -6.243 1.00 0.00 N ATOM 168 CA ILE A 278 -16.099 10.114 -7.584 1.00 0.00 C ATOM 169 C ILE A 278 -16.487 8.956 -8.497 1.00 0.00 C ATOM 170 O ILE A 278 -17.627 8.870 -8.953 1.00 0.00 O ATOM 171 CB ILE A 278 -14.890 10.858 -8.165 1.00 0.00 C ATOM 172 CG1 ILE A 278 -14.472 11.976 -7.207 1.00 0.00 C ATOM 173 CG2 ILE A 278 -15.270 11.471 -9.515 1.00 0.00 C ATOM 174 CD1 ILE A 278 -13.197 12.643 -7.725 1.00 0.00 C ATOM 0 H ILE A 278 -16.444 9.937 -5.520 1.00 0.00 H new ATOM 0 HA ILE A 278 -16.932 10.814 -7.515 1.00 0.00 H new ATOM 0 HB ILE A 278 -14.064 10.159 -8.298 1.00 0.00 H new ATOM 0 HG12 ILE A 278 -15.271 12.713 -7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 278 -14.303 11.570 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 278 -14.412 12.000 -9.929 1.00 0.00 H new ATOM 0 HG22 ILE A 278 -15.574 10.680 -10.201 1.00 0.00 H new ATOM 0 HG23 ILE A 278 -16.095 12.170 -9.378 1.00 0.00 H new ATOM 0 HD11 ILE A 278 -12.900 13.439 -7.042 1.00 0.00 H new ATOM 0 HD12 ILE A 278 -12.399 11.903 -7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 278 -13.382 13.063 -8.714 1.00 0.00 H new ATOM 186 N ASN A 279 -15.539 8.059 -8.749 1.00 0.00 N ATOM 187 CA ASN A 279 -15.806 6.900 -9.593 1.00 0.00 C ATOM 188 C ASN A 279 -16.173 5.703 -8.720 1.00 0.00 C ATOM 189 O ASN A 279 -15.298 5.001 -8.214 1.00 0.00 O ATOM 190 CB ASN A 279 -14.569 6.567 -10.431 1.00 0.00 C ATOM 191 CG ASN A 279 -14.250 7.722 -11.372 1.00 0.00 C ATOM 192 OD1 ASN A 279 -13.312 7.638 -12.164 1.00 0.00 O ATOM 193 ND2 ASN A 279 -14.978 8.802 -11.330 1.00 0.00 N ATOM 0 H ASN A 279 -14.588 8.111 -8.385 1.00 0.00 H new ATOM 0 HA ASN A 279 -16.637 7.129 -10.261 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -13.718 6.374 -9.778 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -14.743 5.657 -11.005 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -14.771 9.581 -11.955 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -15.755 8.868 -10.672 1.00 0.00 H new ATOM 200 N LYS A 280 -17.471 5.484 -8.538 1.00 0.00 N ATOM 201 CA LYS A 280 -17.940 4.378 -7.711 1.00 0.00 C ATOM 202 C LYS A 280 -17.486 3.038 -8.281 1.00 0.00 C ATOM 203 O LYS A 280 -17.054 2.154 -7.541 1.00 0.00 O ATOM 204 CB LYS A 280 -19.465 4.408 -7.630 1.00 0.00 C ATOM 205 CG LYS A 280 -20.054 4.038 -8.992 1.00 0.00 C ATOM 206 CD LYS A 280 -21.537 4.415 -9.025 1.00 0.00 C ATOM 207 CE LYS A 280 -21.684 5.885 -9.432 1.00 0.00 C ATOM 208 NZ LYS A 280 -21.901 5.973 -10.904 1.00 0.00 N ATOM 0 H LYS A 280 -18.212 6.053 -8.948 1.00 0.00 H new ATOM 0 HA LYS A 280 -17.514 4.491 -6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 280 -19.813 3.710 -6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 280 -19.805 5.400 -7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 280 -19.518 4.558 -9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 280 -19.935 2.970 -9.174 1.00 0.00 H new ATOM 0 HD2 LYS A 280 -22.069 3.777 -9.730 1.00 0.00 H new ATOM 0 HD3 LYS A 280 -21.986 4.252 -8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 280 -22.522 6.338 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 280 -20.790 6.442 -9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 -22.001 6.970 -11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 -21.088 5.555 -11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 -22.766 5.455 -11.159 1.00 0.00 H new ATOM 222 N LYS A 281 -17.585 2.894 -9.598 1.00 0.00 N ATOM 223 CA LYS A 281 -17.177 1.657 -10.248 1.00 0.00 C ATOM 224 C LYS A 281 -15.701 1.375 -9.986 1.00 0.00 C ATOM 225 O LYS A 281 -15.278 0.220 -9.938 1.00 0.00 O ATOM 226 CB LYS A 281 -17.437 1.735 -11.759 1.00 0.00 C ATOM 227 CG LYS A 281 -16.599 2.854 -12.396 1.00 0.00 C ATOM 228 CD LYS A 281 -17.135 4.226 -11.971 1.00 0.00 C ATOM 229 CE LYS A 281 -16.747 5.270 -13.020 1.00 0.00 C ATOM 230 NZ LYS A 281 -17.698 5.199 -14.166 1.00 0.00 N ATOM 0 H LYS A 281 -17.941 3.611 -10.230 1.00 0.00 H new ATOM 0 HA LYS A 281 -17.767 0.841 -9.831 1.00 0.00 H new ATOM 0 HB2 LYS A 281 -17.193 0.780 -12.225 1.00 0.00 H new ATOM 0 HB3 LYS A 281 -18.496 1.917 -11.942 1.00 0.00 H new ATOM 0 HG2 LYS A 281 -15.556 2.754 -12.094 1.00 0.00 H new ATOM 0 HG3 LYS A 281 -16.627 2.765 -13.482 1.00 0.00 H new ATOM 0 HD2 LYS A 281 -18.219 4.188 -11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 281 -16.728 4.503 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 281 -16.764 6.267 -12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 281 -15.729 5.092 -13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 -17.230 5.547 -15.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 -17.997 4.213 -14.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 -18.531 5.788 -13.963 1.00 0.00 H new ATOM 244 N LEU A 282 -14.922 2.440 -9.819 1.00 0.00 N ATOM 245 CA LEU A 282 -13.492 2.296 -9.564 1.00 0.00 C ATOM 246 C LEU A 282 -13.255 1.522 -8.270 1.00 0.00 C ATOM 247 O LEU A 282 -12.311 0.737 -8.170 1.00 0.00 O ATOM 248 CB LEU A 282 -12.842 3.679 -9.458 1.00 0.00 C ATOM 249 CG LEU A 282 -11.318 3.537 -9.397 1.00 0.00 C ATOM 250 CD1 LEU A 282 -10.754 3.441 -10.816 1.00 0.00 C ATOM 251 CD2 LEU A 282 -10.722 4.760 -8.696 1.00 0.00 C ATOM 0 H LEU A 282 -15.253 3.404 -9.855 1.00 0.00 H new ATOM 0 HA LEU A 282 -13.046 1.745 -10.392 1.00 0.00 H new ATOM 0 HB2 LEU A 282 -13.125 4.290 -10.315 1.00 0.00 H new ATOM 0 HB3 LEU A 282 -13.204 4.193 -8.567 1.00 0.00 H new ATOM 0 HG LEU A 282 -11.060 2.635 -8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 282 -9.670 3.340 -10.770 1.00 0.00 H new ATOM 0 HD12 LEU A 282 -11.179 2.572 -11.318 1.00 0.00 H new ATOM 0 HD13 LEU A 282 -11.011 4.343 -11.372 1.00 0.00 H new ATOM 0 HD21 LEU A 282 -9.637 4.661 -8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 282 -10.982 5.661 -9.252 1.00 0.00 H new ATOM 0 HD23 LEU A 282 -11.122 4.830 -7.684 1.00 0.00 H new ATOM 263 N ASP A 283 -14.116 1.751 -7.284 1.00 0.00 N ATOM 264 CA ASP A 283 -13.992 1.073 -5.996 1.00 0.00 C ATOM 265 C ASP A 283 -14.979 -0.084 -5.898 1.00 0.00 C ATOM 266 O ASP A 283 -16.121 0.020 -6.347 1.00 0.00 O ATOM 267 CB ASP A 283 -14.252 2.063 -4.860 1.00 0.00 C ATOM 268 CG ASP A 283 -13.967 1.402 -3.516 1.00 0.00 C ATOM 269 OD1 ASP A 283 -13.494 0.277 -3.520 1.00 0.00 O ATOM 270 OD2 ASP A 283 -14.226 2.029 -2.502 1.00 0.00 O ATOM 0 H ASP A 283 -14.903 2.397 -7.350 1.00 0.00 H new ATOM 0 HA ASP A 283 -12.980 0.678 -5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 283 -13.621 2.943 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 283 -15.286 2.405 -4.894 1.00 0.00 H new ATOM 275 N LEU A 284 -14.536 -1.184 -5.295 1.00 0.00 N ATOM 276 CA LEU A 284 -15.385 -2.350 -5.127 1.00 0.00 C ATOM 277 C LEU A 284 -15.889 -2.422 -3.704 1.00 0.00 C ATOM 278 O LEU A 284 -15.179 -2.057 -2.768 1.00 0.00 O ATOM 279 CB LEU A 284 -14.600 -3.626 -5.419 1.00 0.00 C ATOM 280 CG LEU A 284 -14.055 -3.595 -6.842 1.00 0.00 C ATOM 281 CD1 LEU A 284 -13.314 -4.905 -7.120 1.00 0.00 C ATOM 282 CD2 LEU A 284 -15.220 -3.446 -7.822 1.00 0.00 C ATOM 0 H LEU A 284 -13.595 -1.288 -4.917 1.00 0.00 H new ATOM 0 HA LEU A 284 -16.221 -2.262 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 284 -13.779 -3.727 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 284 -15.244 -4.496 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 284 -13.370 -2.755 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 284 -12.920 -4.892 -8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 284 -12.491 -5.015 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 284 -14.002 -5.743 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 284 -14.837 -3.423 -8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 284 -15.901 -4.290 -7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 284 -15.754 -2.519 -7.614 1.00 0.00 H new ATOM 294 N SER A 285 -17.095 -2.927 -3.533 1.00 0.00 N ATOM 295 CA SER A 285 -17.630 -3.072 -2.200 1.00 0.00 C ATOM 296 C SER A 285 -16.643 -3.904 -1.397 1.00 0.00 C ATOM 297 O SER A 285 -15.517 -4.134 -1.838 1.00 0.00 O ATOM 298 CB SER A 285 -18.992 -3.766 -2.243 1.00 0.00 C ATOM 299 OG SER A 285 -19.874 -3.017 -3.069 1.00 0.00 O ATOM 0 H SER A 285 -17.710 -3.237 -4.285 1.00 0.00 H new ATOM 0 HA SER A 285 -17.770 -2.094 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 285 -18.885 -4.779 -2.630 1.00 0.00 H new ATOM 0 HB3 SER A 285 -19.402 -3.851 -1.237 1.00 0.00 H new ATOM 0 HG SER A 285 -20.748 -3.460 -3.100 1.00 0.00 H new ATOM 305 N ASN A 286 -17.056 -4.362 -0.237 1.00 0.00 N ATOM 306 CA ASN A 286 -16.179 -5.176 0.594 1.00 0.00 C ATOM 307 C ASN A 286 -15.565 -6.315 -0.223 1.00 0.00 C ATOM 308 O ASN A 286 -14.753 -7.085 0.288 1.00 0.00 O ATOM 309 CB ASN A 286 -16.958 -5.754 1.775 1.00 0.00 C ATOM 310 CG ASN A 286 -16.006 -6.501 2.705 1.00 0.00 C ATOM 311 OD1 ASN A 286 -16.092 -7.722 2.831 1.00 0.00 O ATOM 312 ND2 ASN A 286 -15.094 -5.835 3.358 1.00 0.00 N ATOM 0 H ASN A 286 -17.982 -4.191 0.155 1.00 0.00 H new ATOM 0 HA ASN A 286 -15.377 -4.540 0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 286 -17.459 -4.953 2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 286 -17.734 -6.429 1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 286 -14.448 -6.326 3.976 1.00 0.00 H new ATOM 0 HD22 ASN A 286 -15.027 -4.823 3.250 1.00 0.00 H new ATOM 319 N VAL A 287 -15.965 -6.423 -1.491 1.00 0.00 N ATOM 320 CA VAL A 287 -15.451 -7.480 -2.356 1.00 0.00 C ATOM 321 C VAL A 287 -13.931 -7.419 -2.457 1.00 0.00 C ATOM 322 O VAL A 287 -13.264 -8.453 -2.506 1.00 0.00 O ATOM 323 CB VAL A 287 -16.060 -7.351 -3.753 1.00 0.00 C ATOM 324 CG1 VAL A 287 -15.375 -8.336 -4.701 1.00 0.00 C ATOM 325 CG2 VAL A 287 -17.557 -7.666 -3.686 1.00 0.00 C ATOM 0 H VAL A 287 -16.636 -5.797 -1.936 1.00 0.00 H new ATOM 0 HA VAL A 287 -15.730 -8.439 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 287 -15.917 -6.335 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 287 -15.809 -8.244 -5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 287 -14.309 -8.114 -4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 287 -15.518 -9.353 -4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 287 -17.993 -7.575 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 287 -17.699 -8.683 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 287 -18.046 -6.965 -3.010 1.00 0.00 H new ATOM 335 N GLN A 288 -13.385 -6.207 -2.488 1.00 0.00 N ATOM 336 CA GLN A 288 -11.939 -6.045 -2.584 1.00 0.00 C ATOM 337 C GLN A 288 -11.244 -6.786 -1.450 1.00 0.00 C ATOM 338 O GLN A 288 -10.197 -7.399 -1.649 1.00 0.00 O ATOM 339 CB GLN A 288 -11.571 -4.561 -2.533 1.00 0.00 C ATOM 340 CG GLN A 288 -12.201 -3.919 -1.296 1.00 0.00 C ATOM 341 CD GLN A 288 -11.951 -2.415 -1.312 1.00 0.00 C ATOM 342 OE1 GLN A 288 -10.946 -1.945 -0.778 1.00 0.00 O ATOM 343 NE2 GLN A 288 -12.809 -1.629 -1.903 1.00 0.00 N ATOM 0 H GLN A 288 -13.913 -5.335 -2.449 1.00 0.00 H new ATOM 0 HA GLN A 288 -11.607 -6.464 -3.534 1.00 0.00 H new ATOM 0 HB2 GLN A 288 -10.488 -4.445 -2.503 1.00 0.00 H new ATOM 0 HB3 GLN A 288 -11.921 -4.058 -3.434 1.00 0.00 H new ATOM 0 HG2 GLN A 288 -13.272 -4.119 -1.277 1.00 0.00 H new ATOM 0 HG3 GLN A 288 -11.779 -4.358 -0.392 1.00 0.00 H new ATOM 0 HE21 GLN A 288 -13.640 -2.022 -2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 288 -12.648 -0.622 -1.924 1.00 0.00 H new ATOM 352 N SER A 289 -11.848 -6.737 -0.266 1.00 0.00 N ATOM 353 CA SER A 289 -11.296 -7.414 0.905 1.00 0.00 C ATOM 354 C SER A 289 -9.779 -7.241 0.989 1.00 0.00 C ATOM 355 O SER A 289 -9.115 -7.917 1.775 1.00 0.00 O ATOM 356 CB SER A 289 -11.635 -8.902 0.840 1.00 0.00 C ATOM 357 OG SER A 289 -11.302 -9.514 2.080 1.00 0.00 O ATOM 0 H SER A 289 -12.719 -6.236 -0.091 1.00 0.00 H new ATOM 0 HA SER A 289 -11.738 -6.966 1.795 1.00 0.00 H new ATOM 0 HB2 SER A 289 -12.696 -9.036 0.628 1.00 0.00 H new ATOM 0 HB3 SER A 289 -11.085 -9.377 0.028 1.00 0.00 H new ATOM 0 HG SER A 289 -10.454 -9.149 2.408 1.00 0.00 H new ATOM 363 N LYS A 290 -9.233 -6.337 0.179 1.00 0.00 N ATOM 364 CA LYS A 290 -7.792 -6.090 0.176 1.00 0.00 C ATOM 365 C LYS A 290 -7.494 -4.599 0.285 1.00 0.00 C ATOM 366 O LYS A 290 -8.182 -3.772 -0.314 1.00 0.00 O ATOM 367 CB LYS A 290 -7.170 -6.641 -1.109 1.00 0.00 C ATOM 368 CG LYS A 290 -7.239 -8.170 -1.097 1.00 0.00 C ATOM 369 CD LYS A 290 -6.536 -8.720 -2.339 1.00 0.00 C ATOM 370 CE LYS A 290 -6.694 -10.242 -2.384 1.00 0.00 C ATOM 371 NZ LYS A 290 -6.403 -10.730 -3.761 1.00 0.00 N ATOM 0 H LYS A 290 -9.762 -5.766 -0.480 1.00 0.00 H new ATOM 0 HA LYS A 290 -7.360 -6.596 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 290 -7.699 -6.250 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 290 -6.134 -6.314 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 290 -6.766 -8.559 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 290 -8.278 -8.498 -1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 290 -6.961 -8.273 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 290 -5.479 -8.454 -2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 290 -6.017 -10.710 -1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 290 -7.707 -10.522 -2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 -6.510 -11.764 -3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 -7.066 -10.292 -4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 -5.429 -10.475 -4.021 1.00 0.00 H new ATOM 385 N CYS A 291 -6.456 -4.263 1.045 1.00 0.00 N ATOM 386 CA CYS A 291 -6.065 -2.870 1.216 1.00 0.00 C ATOM 387 C CYS A 291 -4.982 -2.507 0.208 1.00 0.00 C ATOM 388 O CYS A 291 -4.762 -1.332 -0.093 1.00 0.00 O ATOM 389 CB CYS A 291 -5.532 -2.647 2.631 1.00 0.00 C ATOM 390 SG CYS A 291 -6.855 -2.949 3.829 1.00 0.00 S ATOM 0 H CYS A 291 -5.874 -4.932 1.549 1.00 0.00 H new ATOM 0 HA CYS A 291 -6.939 -2.239 1.054 1.00 0.00 H new ATOM 0 HB2 CYS A 291 -4.692 -3.315 2.824 1.00 0.00 H new ATOM 0 HB3 CYS A 291 -5.159 -1.628 2.734 1.00 0.00 H new ATOM 0 HG CYS A 291 -6.401 -2.762 5.033 1.00 0.00 H new ATOM 396 N GLY A 292 -4.310 -3.529 -0.311 1.00 0.00 N ATOM 397 CA GLY A 292 -3.248 -3.327 -1.287 1.00 0.00 C ATOM 398 C GLY A 292 -3.748 -3.613 -2.697 1.00 0.00 C ATOM 399 O GLY A 292 -4.793 -3.111 -3.112 1.00 0.00 O ATOM 0 H GLY A 292 -4.483 -4.505 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 292 -2.883 -2.302 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 292 -2.406 -3.979 -1.055 1.00 0.00 H new ATOM 403 N SER A 293 -2.992 -4.423 -3.427 1.00 0.00 N ATOM 404 CA SER A 293 -3.359 -4.773 -4.793 1.00 0.00 C ATOM 405 C SER A 293 -4.587 -5.683 -4.801 1.00 0.00 C ATOM 406 O SER A 293 -4.899 -6.328 -3.800 1.00 0.00 O ATOM 407 CB SER A 293 -2.188 -5.482 -5.474 1.00 0.00 C ATOM 408 OG SER A 293 -2.147 -6.838 -5.048 1.00 0.00 O ATOM 0 H SER A 293 -2.125 -4.848 -3.098 1.00 0.00 H new ATOM 0 HA SER A 293 -3.598 -3.859 -5.336 1.00 0.00 H new ATOM 0 HB2 SER A 293 -2.298 -5.432 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 293 -1.252 -4.982 -5.226 1.00 0.00 H new ATOM 0 HG SER A 293 -1.398 -7.295 -5.484 1.00 0.00 H new ATOM 414 N LYS A 294 -5.284 -5.724 -5.933 1.00 0.00 N ATOM 415 CA LYS A 294 -6.481 -6.552 -6.059 1.00 0.00 C ATOM 416 C LYS A 294 -6.888 -6.668 -7.524 1.00 0.00 C ATOM 417 O LYS A 294 -6.061 -6.974 -8.377 1.00 0.00 O ATOM 418 CB LYS A 294 -7.618 -5.944 -5.233 1.00 0.00 C ATOM 419 CG LYS A 294 -7.832 -4.481 -5.638 1.00 0.00 C ATOM 420 CD LYS A 294 -8.826 -3.832 -4.679 1.00 0.00 C ATOM 421 CE LYS A 294 -9.170 -2.426 -5.174 1.00 0.00 C ATOM 422 NZ LYS A 294 -9.691 -1.612 -4.039 1.00 0.00 N ATOM 0 H LYS A 294 -5.043 -5.197 -6.772 1.00 0.00 H new ATOM 0 HA LYS A 294 -6.267 -7.552 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -8.536 -6.511 -5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 294 -7.381 -6.006 -4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 294 -6.884 -3.943 -5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 294 -8.206 -4.426 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A 294 -9.730 -4.437 -4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 294 -8.401 -3.782 -3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 294 -8.285 -1.952 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 294 -9.915 -2.481 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 -9.925 -0.656 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 -10.546 -2.062 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 -8.967 -1.549 -3.295 1.00 0.00 H new ATOM 436 N ASP A 295 -8.154 -6.409 -7.818 1.00 0.00 N ATOM 437 CA ASP A 295 -8.618 -6.468 -9.196 1.00 0.00 C ATOM 438 C ASP A 295 -8.268 -5.159 -9.887 1.00 0.00 C ATOM 439 O ASP A 295 -8.467 -4.999 -11.092 1.00 0.00 O ATOM 440 CB ASP A 295 -10.129 -6.703 -9.246 1.00 0.00 C ATOM 441 CG ASP A 295 -10.459 -8.087 -8.698 1.00 0.00 C ATOM 442 OD1 ASP A 295 -9.541 -8.875 -8.542 1.00 0.00 O ATOM 443 OD2 ASP A 295 -11.626 -8.338 -8.442 1.00 0.00 O ATOM 0 H ASP A 295 -8.868 -6.160 -7.133 1.00 0.00 H new ATOM 0 HA ASP A 295 -8.131 -7.298 -9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 295 -10.644 -5.939 -8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 295 -10.486 -6.614 -10.272 1.00 0.00 H new ATOM 448 N ASN A 296 -7.712 -4.239 -9.106 1.00 0.00 N ATOM 449 CA ASN A 296 -7.288 -2.952 -9.622 1.00 0.00 C ATOM 450 C ASN A 296 -5.795 -3.017 -9.853 1.00 0.00 C ATOM 451 O ASN A 296 -5.250 -2.318 -10.704 1.00 0.00 O ATOM 452 CB ASN A 296 -7.615 -1.840 -8.622 1.00 0.00 C ATOM 453 CG ASN A 296 -7.573 -0.484 -9.318 1.00 0.00 C ATOM 454 OD1 ASN A 296 -8.366 -0.225 -10.223 1.00 0.00 O ATOM 455 ND2 ASN A 296 -6.690 0.401 -8.947 1.00 0.00 N ATOM 0 H ASN A 296 -7.546 -4.367 -8.108 1.00 0.00 H new ATOM 0 HA ASN A 296 -7.811 -2.730 -10.552 1.00 0.00 H new ATOM 0 HB2 ASN A 296 -8.602 -2.006 -8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 296 -6.900 -1.858 -7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 296 -6.655 1.311 -9.407 1.00 0.00 H new ATOM 0 HD22 ASN A 296 -6.034 0.184 -8.197 1.00 0.00 H new ATOM 462 N ILE A 297 -5.160 -3.892 -9.068 1.00 0.00 N ATOM 463 CA ILE A 297 -3.727 -4.128 -9.129 1.00 0.00 C ATOM 464 C ILE A 297 -3.014 -3.063 -9.942 1.00 0.00 C ATOM 465 O ILE A 297 -2.722 -1.975 -9.442 1.00 0.00 O ATOM 466 CB ILE A 297 -3.467 -5.507 -9.754 1.00 0.00 C ATOM 467 CG1 ILE A 297 -4.569 -5.791 -10.780 1.00 0.00 C ATOM 468 CG2 ILE A 297 -3.460 -6.596 -8.670 1.00 0.00 C ATOM 469 CD1 ILE A 297 -4.238 -7.077 -11.540 1.00 0.00 C ATOM 0 H ILE A 297 -5.637 -4.459 -8.367 1.00 0.00 H new ATOM 0 HA ILE A 297 -3.336 -4.090 -8.112 1.00 0.00 H new ATOM 0 HB ILE A 297 -2.492 -5.511 -10.242 1.00 0.00 H new ATOM 0 HG12 ILE A 297 -5.531 -5.890 -10.278 1.00 0.00 H new ATOM 0 HG13 ILE A 297 -4.657 -4.957 -11.476 1.00 0.00 H new ATOM 0 HG21 ILE A 297 -3.274 -7.566 -9.130 1.00 0.00 H new ATOM 0 HG22 ILE A 297 -2.675 -6.382 -7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 297 -4.426 -6.613 -8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -5.021 -7.280 -12.270 1.00 0.00 H new ATOM 0 HD12 ILE A 297 -3.284 -6.960 -12.054 1.00 0.00 H new ATOM 0 HD13 ILE A 297 -4.172 -7.908 -10.838 1.00 0.00 H new ATOM 481 N LYS A 298 -2.742 -3.388 -11.202 1.00 0.00 N ATOM 482 CA LYS A 298 -2.061 -2.455 -12.091 1.00 0.00 C ATOM 483 C LYS A 298 -1.040 -1.651 -11.299 1.00 0.00 C ATOM 484 O LYS A 298 -0.748 -0.499 -11.619 1.00 0.00 O ATOM 485 CB LYS A 298 -3.086 -1.517 -12.721 1.00 0.00 C ATOM 486 CG LYS A 298 -4.116 -2.349 -13.482 1.00 0.00 C ATOM 487 CD LYS A 298 -5.105 -1.420 -14.189 1.00 0.00 C ATOM 488 CE LYS A 298 -6.213 -2.252 -14.837 1.00 0.00 C ATOM 489 NZ LYS A 298 -7.272 -1.345 -15.364 1.00 0.00 N ATOM 0 H LYS A 298 -2.981 -4.284 -11.628 1.00 0.00 H new ATOM 0 HA LYS A 298 -1.547 -3.007 -12.878 1.00 0.00 H new ATOM 0 HB2 LYS A 298 -3.577 -0.923 -11.950 1.00 0.00 H new ATOM 0 HB3 LYS A 298 -2.592 -0.818 -13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 298 -3.616 -2.987 -14.211 1.00 0.00 H new ATOM 0 HG3 LYS A 298 -4.647 -3.007 -12.794 1.00 0.00 H new ATOM 0 HD2 LYS A 298 -5.534 -0.717 -13.475 1.00 0.00 H new ATOM 0 HD3 LYS A 298 -4.589 -0.830 -14.946 1.00 0.00 H new ATOM 0 HE2 LYS A 298 -5.802 -2.857 -15.645 1.00 0.00 H new ATOM 0 HE3 LYS A 298 -6.639 -2.941 -14.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 -8.026 -1.910 -15.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 -7.670 -0.786 -14.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 -6.860 -0.705 -16.073 1.00 0.00 H new ATOM 503 N HIS A 299 -0.523 -2.271 -10.244 1.00 0.00 N ATOM 504 CA HIS A 299 0.442 -1.613 -9.380 1.00 0.00 C ATOM 505 C HIS A 299 1.581 -1.005 -10.191 1.00 0.00 C ATOM 506 O HIS A 299 1.789 0.208 -10.162 1.00 0.00 O ATOM 507 CB HIS A 299 1.000 -2.616 -8.354 1.00 0.00 C ATOM 508 CG HIS A 299 0.819 -4.019 -8.849 1.00 0.00 C ATOM 509 ND1 HIS A 299 1.879 -4.760 -9.331 1.00 0.00 N ATOM 510 CD2 HIS A 299 -0.282 -4.829 -8.949 1.00 0.00 C ATOM 511 CE1 HIS A 299 1.402 -5.957 -9.707 1.00 0.00 C ATOM 512 NE2 HIS A 299 0.088 -6.055 -9.493 1.00 0.00 N ATOM 0 H HIS A 299 -0.757 -3.225 -9.970 1.00 0.00 H new ATOM 0 HA HIS A 299 -0.067 -0.806 -8.854 1.00 0.00 H new ATOM 0 HB2 HIS A 299 2.058 -2.418 -8.179 1.00 0.00 H new ATOM 0 HB3 HIS A 299 0.490 -2.491 -7.399 1.00 0.00 H new ATOM 0 HD2 HIS A 299 -1.284 -4.557 -8.651 1.00 0.00 H new ATOM 0 HE1 HIS A 299 2.007 -6.745 -10.131 1.00 0.00 H new ATOM 0 HE2 HIS A 299 -0.514 -6.855 -9.686 1.00 0.00 H new ATOM 521 N VAL A 300 2.327 -1.844 -10.903 1.00 0.00 N ATOM 522 CA VAL A 300 3.446 -1.343 -11.691 1.00 0.00 C ATOM 523 C VAL A 300 3.809 -2.227 -12.888 1.00 0.00 C ATOM 524 O VAL A 300 4.665 -1.840 -13.685 1.00 0.00 O ATOM 525 CB VAL A 300 4.678 -1.246 -10.797 1.00 0.00 C ATOM 526 CG1 VAL A 300 5.891 -0.858 -11.645 1.00 0.00 C ATOM 527 CG2 VAL A 300 4.447 -0.189 -9.718 1.00 0.00 C ATOM 0 H VAL A 300 2.182 -2.852 -10.951 1.00 0.00 H new ATOM 0 HA VAL A 300 3.133 -0.374 -12.081 1.00 0.00 H new ATOM 0 HB VAL A 300 4.860 -2.210 -10.322 1.00 0.00 H new ATOM 0 HG11 VAL A 300 6.773 -0.788 -11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 300 6.056 -1.615 -12.412 1.00 0.00 H new ATOM 0 HG13 VAL A 300 5.709 0.106 -12.120 1.00 0.00 H new ATOM 0 HG21 VAL A 300 5.328 -0.121 -9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 300 4.264 0.777 -10.188 1.00 0.00 H new ATOM 0 HG23 VAL A 300 3.583 -0.468 -9.115 1.00 0.00 H new ATOM 537 N PRO A 301 3.249 -3.398 -13.039 1.00 0.00 N ATOM 538 CA PRO A 301 3.685 -4.232 -14.190 1.00 0.00 C ATOM 539 C PRO A 301 3.509 -3.509 -15.523 1.00 0.00 C ATOM 540 O PRO A 301 2.392 -3.350 -16.012 1.00 0.00 O ATOM 541 CB PRO A 301 2.818 -5.482 -14.108 1.00 0.00 C ATOM 542 CG PRO A 301 1.584 -5.039 -13.424 1.00 0.00 C ATOM 543 CD PRO A 301 2.021 -3.961 -12.444 1.00 0.00 C ATOM 0 HA PRO A 301 4.749 -4.465 -14.141 1.00 0.00 H new ATOM 0 HB2 PRO A 301 2.600 -5.879 -15.100 1.00 0.00 H new ATOM 0 HB3 PRO A 301 3.317 -6.274 -13.550 1.00 0.00 H new ATOM 0 HG2 PRO A 301 0.859 -4.648 -14.138 1.00 0.00 H new ATOM 0 HG3 PRO A 301 1.105 -5.869 -12.905 1.00 0.00 H new ATOM 0 HD2 PRO A 301 1.252 -3.198 -12.324 1.00 0.00 H new ATOM 0 HD3 PRO A 301 2.214 -4.378 -11.455 1.00 0.00 H new ATOM 551 N GLY A 302 4.624 -3.070 -16.101 1.00 0.00 N ATOM 552 CA GLY A 302 4.587 -2.364 -17.376 1.00 0.00 C ATOM 553 C GLY A 302 3.856 -1.034 -17.242 1.00 0.00 C ATOM 554 O GLY A 302 3.276 -0.534 -18.204 1.00 0.00 O ATOM 0 H GLY A 302 5.558 -3.190 -15.709 1.00 0.00 H new ATOM 0 HA2 GLY A 302 5.603 -2.191 -17.729 1.00 0.00 H new ATOM 0 HA3 GLY A 302 4.091 -2.982 -18.124 1.00 0.00 H new ATOM 558 N GLY A 303 3.884 -0.468 -16.040 1.00 0.00 N ATOM 559 CA GLY A 303 3.214 0.804 -15.791 1.00 0.00 C ATOM 560 C GLY A 303 1.810 0.574 -15.244 1.00 0.00 C ATOM 561 O GLY A 303 1.053 1.520 -15.028 1.00 0.00 O ATOM 0 H GLY A 303 4.359 -0.865 -15.229 1.00 0.00 H new ATOM 0 HA2 GLY A 303 3.794 1.394 -15.081 1.00 0.00 H new ATOM 0 HA3 GLY A 303 3.160 1.380 -16.715 1.00 0.00 H new ATOM 565 N GLY A 304 1.471 -0.692 -15.021 1.00 0.00 N ATOM 566 CA GLY A 304 0.156 -1.043 -14.496 1.00 0.00 C ATOM 567 C GLY A 304 -0.786 -1.474 -15.614 1.00 0.00 C ATOM 568 O GLY A 304 -1.739 -2.218 -15.381 1.00 0.00 O ATOM 0 H GLY A 304 2.085 -1.488 -15.194 1.00 0.00 H new ATOM 0 HA2 GLY A 304 0.255 -1.849 -13.769 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -0.268 -0.188 -13.969 1.00 0.00 H new ATOM 572 N SER A 305 -0.517 -1.005 -16.825 1.00 0.00 N ATOM 573 CA SER A 305 -1.354 -1.354 -17.965 1.00 0.00 C ATOM 574 C SER A 305 -1.357 -2.863 -18.199 1.00 0.00 C ATOM 575 O SER A 305 -2.388 -3.443 -18.539 1.00 0.00 O ATOM 576 CB SER A 305 -0.848 -0.644 -19.220 1.00 0.00 C ATOM 577 OG SER A 305 -0.785 0.755 -18.975 1.00 0.00 O ATOM 0 H SER A 305 0.266 -0.388 -17.042 1.00 0.00 H new ATOM 0 HA SER A 305 -2.373 -1.034 -17.749 1.00 0.00 H new ATOM 0 HB2 SER A 305 0.137 -1.022 -19.493 1.00 0.00 H new ATOM 0 HB3 SER A 305 -1.512 -0.848 -20.060 1.00 0.00 H new ATOM 0 HG SER A 305 -0.459 1.213 -19.778 1.00 0.00 H new ATOM 583 N VAL A 306 -0.199 -3.494 -18.023 1.00 0.00 N ATOM 584 CA VAL A 306 -0.091 -4.935 -18.229 1.00 0.00 C ATOM 585 C VAL A 306 -0.894 -5.694 -17.179 1.00 0.00 C ATOM 586 O VAL A 306 -1.572 -6.669 -17.502 1.00 0.00 O ATOM 587 CB VAL A 306 1.377 -5.368 -18.182 1.00 0.00 C ATOM 588 CG1 VAL A 306 1.499 -6.857 -18.526 1.00 0.00 C ATOM 589 CG2 VAL A 306 2.175 -4.551 -19.200 1.00 0.00 C ATOM 0 H VAL A 306 0.668 -3.037 -17.742 1.00 0.00 H new ATOM 0 HA VAL A 306 -0.500 -5.171 -19.212 1.00 0.00 H new ATOM 0 HB VAL A 306 1.767 -5.200 -17.178 1.00 0.00 H new ATOM 0 HG11 VAL A 306 2.547 -7.154 -18.490 1.00 0.00 H new ATOM 0 HG12 VAL A 306 0.930 -7.445 -17.806 1.00 0.00 H new ATOM 0 HG13 VAL A 306 1.107 -7.032 -19.528 1.00 0.00 H new ATOM 0 HG21 VAL A 306 3.221 -4.855 -19.171 1.00 0.00 H new ATOM 0 HG22 VAL A 306 1.775 -4.723 -20.199 1.00 0.00 H new ATOM 0 HG23 VAL A 306 2.098 -3.491 -18.956 1.00 0.00 H new ATOM 599 N GLN A 307 -0.813 -5.256 -15.925 1.00 0.00 N ATOM 600 CA GLN A 307 -1.542 -5.930 -14.856 1.00 0.00 C ATOM 601 C GLN A 307 -1.329 -7.446 -14.958 1.00 0.00 C ATOM 602 O GLN A 307 -1.928 -8.133 -15.784 1.00 0.00 O ATOM 603 CB GLN A 307 -3.036 -5.524 -14.908 1.00 0.00 C ATOM 604 CG GLN A 307 -3.945 -6.659 -15.396 1.00 0.00 C ATOM 605 CD GLN A 307 -5.393 -6.187 -15.373 1.00 0.00 C ATOM 606 OE1 GLN A 307 -6.286 -6.886 -15.852 1.00 0.00 O ATOM 607 NE2 GLN A 307 -5.678 -5.032 -14.836 1.00 0.00 N ATOM 0 H GLN A 307 -0.260 -4.452 -15.628 1.00 0.00 H new ATOM 0 HA GLN A 307 -1.161 -5.621 -13.883 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -3.357 -5.210 -13.915 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -3.151 -4.664 -15.567 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -3.663 -6.958 -16.406 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -3.826 -7.536 -14.759 1.00 0.00 H new ATOM 0 HE21 GLN A 307 -4.935 -4.456 -14.440 1.00 0.00 H new ATOM 0 HE22 GLN A 307 -6.644 -4.705 -14.812 1.00 0.00 H new ATOM 616 N ILE A 308 -0.429 -7.952 -14.127 1.00 0.00 N ATOM 617 CA ILE A 308 -0.098 -9.375 -14.130 1.00 0.00 C ATOM 618 C ILE A 308 -0.284 -9.985 -12.741 1.00 0.00 C ATOM 619 O ILE A 308 0.268 -11.042 -12.436 1.00 0.00 O ATOM 620 CB ILE A 308 1.342 -9.548 -14.608 1.00 0.00 C ATOM 621 CG1 ILE A 308 2.289 -8.916 -13.582 1.00 0.00 C ATOM 622 CG2 ILE A 308 1.495 -8.860 -15.965 1.00 0.00 C ATOM 623 CD1 ILE A 308 3.669 -8.666 -14.204 1.00 0.00 C ATOM 0 H ILE A 308 0.087 -7.401 -13.441 1.00 0.00 H new ATOM 0 HA ILE A 308 -0.772 -9.898 -14.808 1.00 0.00 H new ATOM 0 HB ILE A 308 1.586 -10.605 -14.711 1.00 0.00 H new ATOM 0 HG12 ILE A 308 1.870 -7.976 -13.223 1.00 0.00 H new ATOM 0 HG13 ILE A 308 2.387 -9.572 -12.717 1.00 0.00 H new ATOM 0 HG21 ILE A 308 2.520 -8.976 -16.318 1.00 0.00 H new ATOM 0 HG22 ILE A 308 0.810 -9.313 -16.682 1.00 0.00 H new ATOM 0 HG23 ILE A 308 1.264 -7.800 -15.863 1.00 0.00 H new ATOM 0 HD11 ILE A 308 4.327 -8.217 -13.460 1.00 0.00 H new ATOM 0 HD12 ILE A 308 4.093 -9.612 -14.540 1.00 0.00 H new ATOM 0 HD13 ILE A 308 3.568 -7.991 -15.054 1.00 0.00 H new ATOM 635 N VAL A 309 -1.081 -9.316 -11.913 1.00 0.00 N ATOM 636 CA VAL A 309 -1.360 -9.798 -10.561 1.00 0.00 C ATOM 637 C VAL A 309 -0.135 -9.693 -9.663 1.00 0.00 C ATOM 638 O VAL A 309 -0.214 -9.161 -8.555 1.00 0.00 O ATOM 639 CB VAL A 309 -1.813 -11.260 -10.609 1.00 0.00 C ATOM 640 CG1 VAL A 309 -2.677 -11.565 -9.381 1.00 0.00 C ATOM 641 CG2 VAL A 309 -2.623 -11.513 -11.890 1.00 0.00 C ATOM 0 H VAL A 309 -1.545 -8.440 -12.153 1.00 0.00 H new ATOM 0 HA VAL A 309 -2.150 -9.170 -10.148 1.00 0.00 H new ATOM 0 HB VAL A 309 -0.938 -11.910 -10.608 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -3.001 -12.605 -9.413 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -2.095 -11.394 -8.475 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -3.551 -10.913 -9.380 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -2.943 -12.555 -11.919 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -3.499 -10.864 -11.901 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -2.003 -11.300 -12.761 1.00 0.00 H new ATOM 651 N TYR A 310 0.993 -10.213 -10.133 1.00 0.00 N ATOM 652 CA TYR A 310 2.214 -10.175 -9.341 1.00 0.00 C ATOM 653 C TYR A 310 3.063 -8.976 -9.723 1.00 0.00 C ATOM 654 O TYR A 310 3.100 -8.570 -10.881 1.00 0.00 O ATOM 655 CB TYR A 310 3.016 -11.465 -9.526 1.00 0.00 C ATOM 656 CG TYR A 310 3.027 -11.870 -10.981 1.00 0.00 C ATOM 657 CD1 TYR A 310 2.008 -12.685 -11.488 1.00 0.00 C ATOM 658 CD2 TYR A 310 4.065 -11.446 -11.818 1.00 0.00 C ATOM 659 CE1 TYR A 310 2.026 -13.073 -12.833 1.00 0.00 C ATOM 660 CE2 TYR A 310 4.085 -11.836 -13.162 1.00 0.00 C ATOM 661 CZ TYR A 310 3.064 -12.648 -13.670 1.00 0.00 C ATOM 662 OH TYR A 310 3.084 -13.034 -14.995 1.00 0.00 O ATOM 0 H TYR A 310 1.087 -10.660 -11.045 1.00 0.00 H new ATOM 0 HA TYR A 310 1.934 -10.084 -8.292 1.00 0.00 H new ATOM 0 HB2 TYR A 310 4.037 -11.320 -9.174 1.00 0.00 H new ATOM 0 HB3 TYR A 310 2.581 -12.262 -8.923 1.00 0.00 H new ATOM 0 HD1 TYR A 310 1.208 -13.014 -10.842 1.00 0.00 H new ATOM 0 HD2 TYR A 310 4.851 -10.817 -11.427 1.00 0.00 H new ATOM 0 HE1 TYR A 310 1.239 -13.700 -13.225 1.00 0.00 H new ATOM 0 HE2 TYR A 310 4.888 -11.511 -13.807 1.00 0.00 H new ATOM 0 HH TYR A 310 3.872 -12.652 -15.435 1.00 0.00 H new ATOM 672 N LYS A 311 3.723 -8.402 -8.729 1.00 0.00 N ATOM 673 CA LYS A 311 4.561 -7.226 -8.945 1.00 0.00 C ATOM 674 C LYS A 311 6.037 -7.619 -9.075 1.00 0.00 C ATOM 675 O LYS A 311 6.634 -8.118 -8.121 1.00 0.00 O ATOM 676 CB LYS A 311 4.389 -6.250 -7.768 1.00 0.00 C ATOM 677 CG LYS A 311 3.844 -7.004 -6.552 1.00 0.00 C ATOM 678 CD LYS A 311 3.895 -6.096 -5.323 1.00 0.00 C ATOM 679 CE LYS A 311 3.744 -6.941 -4.056 1.00 0.00 C ATOM 680 NZ LYS A 311 3.030 -8.207 -4.385 1.00 0.00 N ATOM 0 H LYS A 311 3.696 -8.729 -7.763 1.00 0.00 H new ATOM 0 HA LYS A 311 4.250 -6.747 -9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 311 5.345 -5.787 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 311 3.707 -5.446 -8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 311 2.819 -7.324 -6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 311 4.432 -7.905 -6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 311 4.839 -5.552 -5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 311 3.099 -5.353 -5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 311 4.725 -7.163 -3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 311 3.191 -6.385 -3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 2.718 -8.668 -3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 2.202 -7.995 -4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 3.671 -8.843 -4.901 1.00 0.00 H new ATOM 694 N PRO A 312 6.642 -7.376 -10.215 1.00 0.00 N ATOM 695 CA PRO A 312 8.082 -7.694 -10.408 1.00 0.00 C ATOM 696 C PRO A 312 8.994 -6.760 -9.615 1.00 0.00 C ATOM 697 O PRO A 312 8.941 -5.566 -9.858 1.00 0.00 O ATOM 698 CB PRO A 312 8.261 -7.499 -11.905 1.00 0.00 C ATOM 699 CG PRO A 312 6.987 -7.989 -12.493 1.00 0.00 C ATOM 700 CD PRO A 312 5.897 -7.704 -11.456 1.00 0.00 C ATOM 701 OXT PRO A 312 9.731 -7.253 -8.778 1.00 0.00 O ATOM 0 HA PRO A 312 8.347 -8.691 -10.057 1.00 0.00 H new ATOM 0 HB2 PRO A 312 8.436 -6.452 -12.152 1.00 0.00 H new ATOM 0 HB3 PRO A 312 9.115 -8.062 -12.280 1.00 0.00 H new ATOM 0 HG2 PRO A 312 6.772 -7.481 -13.433 1.00 0.00 H new ATOM 0 HG3 PRO A 312 7.045 -9.055 -12.713 1.00 0.00 H new ATOM 0 HD2 PRO A 312 5.260 -6.876 -11.767 1.00 0.00 H new ATOM 0 HD3 PRO A 312 5.249 -8.569 -11.313 1.00 0.00 H new TER 709 PRO A 312