USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 508 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 254 THR OG1 : rot -7:sc= 1.22 USER MOD Set 1.2: A 285 HIS : no HD1:sc= 0.475 K(o=1.7,f=-2!) USER MOD Single : A 239 TYR OH : rot 180:sc= -0.0135 USER MOD Single : A 244 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 245 LYS NZ :NH3+ 133:sc= -0.12 (180deg=-0.741) USER MOD Single : A 249 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 253 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 265 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 267 THR OG1 : rot 180:sc= 0.00956 USER MOD Single : A 268 LYS NZ :NH3+ 148:sc= 0.921 (180deg=0.32) USER MOD Single : A 270 ASN : amide:sc= -6.52! C(o=-6.5!,f=-8.7!) USER MOD Single : A 272 SER OG : rot 180:sc= 0.00412 USER MOD Single : A 274 GLN : amide:sc= -3.08! K(o=-3.1!,f=-0.72) USER MOD Single : A 279 CYS SG : rot 95:sc= 1.17 USER MOD Single : A 280 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 282 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0 USER MOD Single : A 290 HIS : no HE2:sc= -0.777 X(o=-0.78,f=-0.98) USER MOD Single : A 296 GLN : amide:sc= -0.601 K(o=-0.6,f=-3.2!) USER MOD Single : A 297 GLN : amide:sc= -1.84! X(o=-1.8!,f=-1.6) USER MOD Single : A 298 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 236 11.554 -7.091 -2.478 1.00 0.00 N ATOM 2 CA GLY A 236 11.754 -6.036 -1.507 1.00 0.00 C ATOM 3 C GLY A 236 10.456 -5.429 -1.027 1.00 0.00 C ATOM 4 O GLY A 236 9.791 -4.711 -1.772 1.00 0.00 O ATOM 0 HA2 GLY A 236 12.302 -6.434 -0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 236 12.374 -5.255 -1.948 1.00 0.00 H new ATOM 8 N PRO A 237 10.064 -5.725 0.217 1.00 0.00 N ATOM 9 CA PRO A 237 8.842 -5.227 0.809 1.00 0.00 C ATOM 10 C PRO A 237 9.052 -3.916 1.561 1.00 0.00 C ATOM 11 O PRO A 237 9.832 -3.849 2.515 1.00 0.00 O ATOM 12 CB PRO A 237 8.454 -6.350 1.787 1.00 0.00 C ATOM 13 CG PRO A 237 9.645 -7.266 1.871 1.00 0.00 C ATOM 14 CD PRO A 237 10.774 -6.577 1.158 1.00 0.00 C ATOM 0 HA PRO A 237 8.082 -5.003 0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 237 8.206 -5.943 2.767 1.00 0.00 H new ATOM 0 HB3 PRO A 237 7.574 -6.887 1.433 1.00 0.00 H new ATOM 0 HG2 PRO A 237 9.908 -7.464 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 237 9.426 -8.228 1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 237 11.396 -5.999 1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 237 11.430 -7.286 0.652 1.00 0.00 H new ATOM 22 N ILE A 238 8.355 -2.880 1.132 1.00 0.00 N ATOM 23 CA ILE A 238 8.326 -1.624 1.866 1.00 0.00 C ATOM 24 C ILE A 238 7.145 -1.623 2.815 1.00 0.00 C ATOM 25 O ILE A 238 6.092 -2.183 2.504 1.00 0.00 O ATOM 26 CB ILE A 238 8.293 -0.377 0.914 1.00 0.00 C ATOM 27 CG1 ILE A 238 7.334 0.738 1.384 1.00 0.00 C ATOM 28 CG2 ILE A 238 7.924 -0.781 -0.498 1.00 0.00 C ATOM 29 CD1 ILE A 238 5.912 0.567 0.924 1.00 0.00 C ATOM 0 H ILE A 238 7.799 -2.882 0.277 1.00 0.00 H new ATOM 0 HA ILE A 238 9.249 -1.544 2.439 1.00 0.00 H new ATOM 0 HB ILE A 238 9.304 0.030 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 238 7.349 0.778 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 238 7.707 1.697 1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 238 7.908 0.102 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 238 8.659 -1.490 -0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 238 6.938 -1.246 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 238 5.307 1.393 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 238 5.881 0.559 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 238 5.517 -0.374 1.306 1.00 0.00 H new ATOM 41 N TYR A 239 7.316 -1.020 3.975 1.00 0.00 N ATOM 42 CA TYR A 239 6.206 -0.857 4.879 1.00 0.00 C ATOM 43 C TYR A 239 5.659 0.524 4.667 1.00 0.00 C ATOM 44 O TYR A 239 6.364 1.492 4.839 1.00 0.00 O ATOM 45 CB TYR A 239 6.643 -1.048 6.331 1.00 0.00 C ATOM 46 CG TYR A 239 6.849 -2.495 6.708 1.00 0.00 C ATOM 47 CD1 TYR A 239 5.766 -3.354 6.794 1.00 0.00 C ATOM 48 CD2 TYR A 239 8.114 -2.998 6.995 1.00 0.00 C ATOM 49 CE1 TYR A 239 5.929 -4.676 7.143 1.00 0.00 C ATOM 50 CE2 TYR A 239 8.287 -4.325 7.344 1.00 0.00 C ATOM 51 CZ TYR A 239 7.190 -5.158 7.422 1.00 0.00 C ATOM 52 OH TYR A 239 7.353 -6.479 7.769 1.00 0.00 O ATOM 0 H TYR A 239 8.203 -0.641 4.307 1.00 0.00 H new ATOM 0 HA TYR A 239 5.443 -1.609 4.679 1.00 0.00 H new ATOM 0 HB2 TYR A 239 7.571 -0.501 6.499 1.00 0.00 H new ATOM 0 HB3 TYR A 239 5.892 -0.612 6.989 1.00 0.00 H new ATOM 0 HD1 TYR A 239 4.775 -2.980 6.583 1.00 0.00 H new ATOM 0 HD2 TYR A 239 8.972 -2.344 6.945 1.00 0.00 H new ATOM 0 HE1 TYR A 239 5.073 -5.332 7.198 1.00 0.00 H new ATOM 0 HE2 TYR A 239 9.275 -4.707 7.554 1.00 0.00 H new ATOM 0 HH TYR A 239 8.302 -6.659 7.933 1.00 0.00 H new ATOM 62 N ALA A 240 4.421 0.638 4.278 1.00 0.00 N ATOM 63 CA ALA A 240 3.915 1.934 3.922 1.00 0.00 C ATOM 64 C ALA A 240 2.853 2.384 4.886 1.00 0.00 C ATOM 65 O ALA A 240 1.779 1.789 4.985 1.00 0.00 O ATOM 66 CB ALA A 240 3.396 1.912 2.501 1.00 0.00 C ATOM 0 H ALA A 240 3.756 -0.131 4.200 1.00 0.00 H new ATOM 0 HA ALA A 240 4.730 2.656 3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 240 3.014 2.898 2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 240 4.205 1.644 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 240 2.594 1.178 2.418 1.00 0.00 H new ATOM 72 N ARG A 241 3.173 3.457 5.579 1.00 0.00 N ATOM 73 CA ARG A 241 2.268 4.076 6.509 1.00 0.00 C ATOM 74 C ARG A 241 1.365 5.022 5.740 1.00 0.00 C ATOM 75 O ARG A 241 1.783 6.103 5.324 1.00 0.00 O ATOM 76 CB ARG A 241 3.074 4.823 7.576 1.00 0.00 C ATOM 77 CG ARG A 241 2.222 5.713 8.468 1.00 0.00 C ATOM 78 CD ARG A 241 1.464 4.890 9.500 1.00 0.00 C ATOM 79 NE ARG A 241 2.360 4.426 10.562 1.00 0.00 N ATOM 80 CZ ARG A 241 1.976 3.733 11.632 1.00 0.00 C ATOM 81 NH1 ARG A 241 0.697 3.448 11.827 1.00 0.00 N ATOM 82 NH2 ARG A 241 2.879 3.328 12.513 1.00 0.00 N ATOM 0 H ARG A 241 4.077 3.924 5.508 1.00 0.00 H new ATOM 0 HA ARG A 241 1.653 3.329 7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 241 3.600 4.098 8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 241 3.833 5.433 7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 241 2.857 6.441 8.974 1.00 0.00 H new ATOM 0 HG3 ARG A 241 1.516 6.276 7.857 1.00 0.00 H new ATOM 0 HD2 ARG A 241 0.663 5.490 9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 241 0.995 4.034 9.015 1.00 0.00 H new ATOM 0 HE ARG A 241 3.351 4.650 10.475 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -0.003 3.760 11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 241 0.413 2.916 12.650 1.00 0.00 H new ATOM 0 HH21 ARG A 241 3.865 3.547 12.370 1.00 0.00 H new ATOM 0 HH22 ARG A 241 2.588 2.797 13.334 1.00 0.00 H new ATOM 96 N VAL A 242 0.136 4.606 5.509 1.00 0.00 N ATOM 97 CA VAL A 242 -0.765 5.424 4.732 1.00 0.00 C ATOM 98 C VAL A 242 -1.531 6.363 5.590 1.00 0.00 C ATOM 99 O VAL A 242 -1.891 6.050 6.725 1.00 0.00 O ATOM 100 CB VAL A 242 -1.788 4.658 3.931 1.00 0.00 C ATOM 101 CG1 VAL A 242 -1.426 4.683 2.473 1.00 0.00 C ATOM 102 CG2 VAL A 242 -1.953 3.252 4.433 1.00 0.00 C ATOM 0 H VAL A 242 -0.254 3.724 5.842 1.00 0.00 H new ATOM 0 HA VAL A 242 -0.096 5.943 4.046 1.00 0.00 H new ATOM 0 HB VAL A 242 -2.753 5.149 4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 242 -2.171 4.127 1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 242 -1.397 5.715 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 242 -0.447 4.225 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 242 -2.699 2.735 3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 242 -1.001 2.726 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 242 -2.280 3.273 5.473 1.00 0.00 H new ATOM 112 N ILE A 243 -1.845 7.483 4.989 1.00 0.00 N ATOM 113 CA ILE A 243 -2.425 8.585 5.689 1.00 0.00 C ATOM 114 C ILE A 243 -3.728 9.006 5.038 1.00 0.00 C ATOM 115 O ILE A 243 -4.300 10.042 5.374 1.00 0.00 O ATOM 116 CB ILE A 243 -1.385 9.728 5.735 1.00 0.00 C ATOM 117 CG1 ILE A 243 -0.979 10.214 4.324 1.00 0.00 C ATOM 118 CG2 ILE A 243 -0.156 9.192 6.448 1.00 0.00 C ATOM 119 CD1 ILE A 243 -2.002 11.088 3.633 1.00 0.00 C ATOM 0 H ILE A 243 -1.702 7.650 3.993 1.00 0.00 H new ATOM 0 HA ILE A 243 -2.677 8.303 6.711 1.00 0.00 H new ATOM 0 HB ILE A 243 -1.823 10.581 6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 243 -0.043 10.767 4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 243 -0.784 9.343 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 243 0.603 9.972 6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 243 -0.427 8.881 7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 243 0.239 8.337 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 243 -1.628 11.379 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 243 -2.934 10.535 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 243 -2.182 11.981 4.232 1.00 0.00 H new ATOM 131 N GLN A 244 -4.202 8.167 4.125 1.00 0.00 N ATOM 132 CA GLN A 244 -5.370 8.486 3.323 1.00 0.00 C ATOM 133 C GLN A 244 -5.707 7.311 2.423 1.00 0.00 C ATOM 134 O GLN A 244 -5.122 7.152 1.353 1.00 0.00 O ATOM 135 CB GLN A 244 -5.094 9.716 2.466 1.00 0.00 C ATOM 136 CG GLN A 244 -6.302 10.224 1.694 1.00 0.00 C ATOM 137 CD GLN A 244 -5.993 11.477 0.900 1.00 0.00 C ATOM 138 OE1 GLN A 244 -5.146 12.284 1.285 1.00 0.00 O ATOM 139 NE2 GLN A 244 -6.677 11.646 -0.219 1.00 0.00 N ATOM 0 H GLN A 244 -3.790 7.256 3.923 1.00 0.00 H new ATOM 0 HA GLN A 244 -6.210 8.692 3.986 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -4.725 10.516 3.108 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -4.298 9.481 1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -6.651 9.445 1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -7.115 10.429 2.390 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -7.370 10.954 -0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -6.511 12.469 -0.799 1.00 0.00 H new ATOM 148 N LYS A 245 -6.603 6.465 2.874 1.00 0.00 N ATOM 149 CA LYS A 245 -7.038 5.344 2.071 1.00 0.00 C ATOM 150 C LYS A 245 -8.504 5.033 2.355 1.00 0.00 C ATOM 151 O LYS A 245 -9.067 5.484 3.359 1.00 0.00 O ATOM 152 CB LYS A 245 -6.130 4.132 2.304 1.00 0.00 C ATOM 153 CG LYS A 245 -5.386 3.677 1.050 1.00 0.00 C ATOM 154 CD LYS A 245 -4.005 3.134 1.405 1.00 0.00 C ATOM 155 CE LYS A 245 -3.364 2.343 0.268 1.00 0.00 C ATOM 156 NZ LYS A 245 -1.988 1.890 0.615 1.00 0.00 N ATOM 0 H LYS A 245 -7.045 6.530 3.791 1.00 0.00 H new ATOM 0 HA LYS A 245 -6.958 5.603 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -5.404 4.376 3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -6.732 3.304 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -5.964 2.907 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -5.286 4.513 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -3.353 3.964 1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -4.087 2.494 2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -3.983 1.477 0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -3.328 2.961 -0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -1.881 0.885 0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -1.293 2.453 0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -1.828 2.015 1.635 1.00 0.00 H new ATOM 170 N ARG A 246 -9.112 4.285 1.456 1.00 0.00 N ATOM 171 CA ARG A 246 -10.537 3.996 1.501 1.00 0.00 C ATOM 172 C ARG A 246 -10.746 2.514 1.771 1.00 0.00 C ATOM 173 O ARG A 246 -9.778 1.783 1.966 1.00 0.00 O ATOM 174 CB ARG A 246 -11.184 4.367 0.168 1.00 0.00 C ATOM 175 CG ARG A 246 -10.843 3.410 -0.964 1.00 0.00 C ATOM 176 CD ARG A 246 -11.776 3.601 -2.147 1.00 0.00 C ATOM 177 NE ARG A 246 -13.172 3.379 -1.777 1.00 0.00 N ATOM 178 CZ ARG A 246 -14.161 4.234 -2.049 1.00 0.00 C ATOM 179 NH1 ARG A 246 -13.912 5.356 -2.715 1.00 0.00 N ATOM 180 NH2 ARG A 246 -15.399 3.959 -1.658 1.00 0.00 N ATOM 0 H ARG A 246 -8.630 3.856 0.666 1.00 0.00 H new ATOM 0 HA ARG A 246 -10.996 4.581 2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -12.266 4.395 0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -10.870 5.373 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -9.813 3.571 -1.281 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -10.910 2.382 -0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -11.661 4.610 -2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -11.497 2.913 -2.945 1.00 0.00 H new ATOM 0 HE ARG A 246 -13.405 2.519 -1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -12.962 5.567 -3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -14.671 6.006 -2.921 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -15.594 3.096 -1.151 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -16.156 4.611 -1.865 1.00 0.00 H new ATOM 194 N VAL A 247 -11.999 2.074 1.787 1.00 0.00 N ATOM 195 CA VAL A 247 -12.302 0.649 1.920 1.00 0.00 C ATOM 196 C VAL A 247 -12.696 0.012 0.573 1.00 0.00 C ATOM 197 O VAL A 247 -13.875 -0.127 0.248 1.00 0.00 O ATOM 198 CB VAL A 247 -13.400 0.386 2.978 1.00 0.00 C ATOM 199 CG1 VAL A 247 -12.843 0.597 4.379 1.00 0.00 C ATOM 200 CG2 VAL A 247 -14.610 1.285 2.754 1.00 0.00 C ATOM 0 H VAL A 247 -12.818 2.677 1.710 1.00 0.00 H new ATOM 0 HA VAL A 247 -11.382 0.175 2.261 1.00 0.00 H new ATOM 0 HB VAL A 247 -13.724 -0.649 2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -13.626 0.409 5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -12.014 -0.090 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -12.490 1.623 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -15.364 1.076 3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -14.305 2.329 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -15.028 1.093 1.766 1.00 0.00 H new ATOM 210 N PRO A 248 -11.687 -0.348 -0.240 1.00 0.00 N ATOM 211 CA PRO A 248 -11.836 -1.114 -1.470 1.00 0.00 C ATOM 212 C PRO A 248 -11.710 -2.606 -1.190 1.00 0.00 C ATOM 213 O PRO A 248 -11.481 -3.009 -0.054 1.00 0.00 O ATOM 214 CB PRO A 248 -10.642 -0.640 -2.321 1.00 0.00 C ATOM 215 CG PRO A 248 -9.864 0.290 -1.441 1.00 0.00 C ATOM 216 CD PRO A 248 -10.291 -0.029 -0.050 1.00 0.00 C ATOM 0 HA PRO A 248 -12.804 -0.967 -1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 248 -10.029 -1.483 -2.640 1.00 0.00 H new ATOM 0 HB3 PRO A 248 -10.981 -0.133 -3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 248 -8.791 0.143 -1.566 1.00 0.00 H new ATOM 0 HG3 PRO A 248 -10.074 1.331 -1.687 1.00 0.00 H new ATOM 0 HD2 PRO A 248 -9.733 -0.867 0.368 1.00 0.00 H new ATOM 0 HD3 PRO A 248 -10.152 0.815 0.625 1.00 0.00 H new ATOM 224 N ASN A 249 -11.884 -3.427 -2.205 1.00 0.00 N ATOM 225 CA ASN A 249 -11.685 -4.859 -2.053 1.00 0.00 C ATOM 226 C ASN A 249 -10.807 -5.399 -3.170 1.00 0.00 C ATOM 227 O ASN A 249 -10.438 -4.675 -4.096 1.00 0.00 O ATOM 228 CB ASN A 249 -13.027 -5.609 -2.042 1.00 0.00 C ATOM 229 CG ASN A 249 -13.825 -5.380 -0.772 1.00 0.00 C ATOM 230 OD1 ASN A 249 -13.652 -6.088 0.218 1.00 0.00 O ATOM 231 ND2 ASN A 249 -14.718 -4.402 -0.796 1.00 0.00 N ATOM 0 H ASN A 249 -12.162 -3.132 -3.141 1.00 0.00 H new ATOM 0 HA ASN A 249 -11.188 -5.022 -1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 249 -13.621 -5.292 -2.899 1.00 0.00 H new ATOM 0 HB3 ASN A 249 -12.841 -6.677 -2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 249 -15.292 -4.215 0.026 1.00 0.00 H new ATOM 0 HD22 ASN A 249 -14.832 -3.836 -1.637 1.00 0.00 H new ATOM 238 N ALA A 250 -10.477 -6.682 -3.085 1.00 0.00 N ATOM 239 CA ALA A 250 -9.705 -7.352 -4.131 1.00 0.00 C ATOM 240 C ALA A 250 -10.511 -7.452 -5.422 1.00 0.00 C ATOM 241 O ALA A 250 -10.030 -7.943 -6.437 1.00 0.00 O ATOM 242 CB ALA A 250 -9.299 -8.736 -3.671 1.00 0.00 C ATOM 0 H ALA A 250 -10.732 -7.283 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 250 -8.811 -6.760 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 250 -8.725 -9.227 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 250 -8.689 -8.656 -2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 250 -10.191 -9.323 -3.453 1.00 0.00 H new ATOM 248 N TYR A 251 -11.740 -6.993 -5.361 1.00 0.00 N ATOM 249 CA TYR A 251 -12.620 -6.964 -6.518 1.00 0.00 C ATOM 250 C TYR A 251 -12.574 -5.591 -7.184 1.00 0.00 C ATOM 251 O TYR A 251 -13.260 -5.344 -8.172 1.00 0.00 O ATOM 252 CB TYR A 251 -14.056 -7.293 -6.110 1.00 0.00 C ATOM 253 CG TYR A 251 -14.227 -8.687 -5.555 1.00 0.00 C ATOM 254 CD1 TYR A 251 -13.787 -8.997 -4.279 1.00 0.00 C ATOM 255 CD2 TYR A 251 -14.844 -9.682 -6.298 1.00 0.00 C ATOM 256 CE1 TYR A 251 -13.944 -10.265 -3.757 1.00 0.00 C ATOM 257 CE2 TYR A 251 -15.006 -10.955 -5.787 1.00 0.00 C ATOM 258 CZ TYR A 251 -14.560 -11.241 -4.513 1.00 0.00 C ATOM 259 OH TYR A 251 -14.727 -12.506 -3.996 1.00 0.00 O ATOM 0 H TYR A 251 -12.163 -6.627 -4.508 1.00 0.00 H new ATOM 0 HA TYR A 251 -12.276 -7.716 -7.228 1.00 0.00 H new ATOM 0 HB2 TYR A 251 -14.386 -6.571 -5.363 1.00 0.00 H new ATOM 0 HB3 TYR A 251 -14.706 -7.175 -6.977 1.00 0.00 H new ATOM 0 HD1 TYR A 251 -13.312 -8.233 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 251 -15.203 -9.458 -7.292 1.00 0.00 H new ATOM 0 HE1 TYR A 251 -13.587 -10.492 -2.763 1.00 0.00 H new ATOM 0 HE2 TYR A 251 -15.479 -11.722 -6.382 1.00 0.00 H new ATOM 0 HH TYR A 251 -15.179 -13.072 -4.656 1.00 0.00 H new ATOM 269 N ASP A 252 -11.754 -4.701 -6.639 1.00 0.00 N ATOM 270 CA ASP A 252 -11.615 -3.353 -7.171 1.00 0.00 C ATOM 271 C ASP A 252 -10.394 -3.286 -8.060 1.00 0.00 C ATOM 272 O ASP A 252 -9.536 -2.414 -7.893 1.00 0.00 O ATOM 273 CB ASP A 252 -11.485 -2.336 -6.037 1.00 0.00 C ATOM 274 CG ASP A 252 -12.805 -2.032 -5.370 1.00 0.00 C ATOM 275 OD1 ASP A 252 -13.232 -2.815 -4.499 1.00 0.00 O ATOM 276 OD2 ASP A 252 -13.417 -0.996 -5.702 1.00 0.00 O ATOM 0 H ASP A 252 -11.172 -4.891 -5.823 1.00 0.00 H new ATOM 0 HA ASP A 252 -12.506 -3.111 -7.751 1.00 0.00 H new ATOM 0 HB2 ASP A 252 -10.786 -2.716 -5.292 1.00 0.00 H new ATOM 0 HB3 ASP A 252 -11.061 -1.412 -6.430 1.00 0.00 H new ATOM 281 N LYS A 253 -10.319 -4.228 -8.997 1.00 0.00 N ATOM 282 CA LYS A 253 -9.111 -4.457 -9.779 1.00 0.00 C ATOM 283 C LYS A 253 -7.998 -4.870 -8.827 1.00 0.00 C ATOM 284 O LYS A 253 -6.823 -4.641 -9.098 1.00 0.00 O ATOM 285 CB LYS A 253 -8.702 -3.212 -10.583 1.00 0.00 C ATOM 286 CG LYS A 253 -9.787 -2.660 -11.506 1.00 0.00 C ATOM 287 CD LYS A 253 -10.100 -3.584 -12.680 1.00 0.00 C ATOM 288 CE LYS A 253 -11.007 -4.740 -12.281 1.00 0.00 C ATOM 289 NZ LYS A 253 -11.442 -5.536 -13.458 1.00 0.00 N ATOM 0 H LYS A 253 -11.091 -4.851 -9.233 1.00 0.00 H new ATOM 0 HA LYS A 253 -9.302 -5.247 -10.505 1.00 0.00 H new ATOM 0 HB2 LYS A 253 -8.404 -2.428 -9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 253 -7.825 -3.456 -11.182 1.00 0.00 H new ATOM 0 HG2 LYS A 253 -10.697 -2.494 -10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 253 -9.471 -1.690 -11.889 1.00 0.00 H new ATOM 0 HD2 LYS A 253 -10.576 -3.009 -13.475 1.00 0.00 H new ATOM 0 HD3 LYS A 253 -9.169 -3.979 -13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 253 -10.482 -5.388 -11.579 1.00 0.00 H new ATOM 0 HE3 LYS A 253 -11.883 -4.351 -11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 -12.058 -6.313 -13.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 -11.965 -4.924 -14.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 -10.608 -5.929 -13.939 1.00 0.00 H new ATOM 303 N THR A 254 -8.428 -5.462 -7.707 1.00 0.00 N ATOM 304 CA THR A 254 -7.585 -5.877 -6.600 1.00 0.00 C ATOM 305 C THR A 254 -6.921 -4.673 -5.949 1.00 0.00 C ATOM 306 O THR A 254 -5.816 -4.263 -6.297 1.00 0.00 O ATOM 307 CB THR A 254 -6.556 -6.982 -6.952 1.00 0.00 C ATOM 308 OG1 THR A 254 -5.486 -6.495 -7.773 1.00 0.00 O ATOM 309 CG2 THR A 254 -7.230 -8.148 -7.659 1.00 0.00 C ATOM 0 H THR A 254 -9.414 -5.670 -7.549 1.00 0.00 H new ATOM 0 HA THR A 254 -8.253 -6.346 -5.878 1.00 0.00 H new ATOM 0 HB THR A 254 -6.134 -7.316 -6.004 1.00 0.00 H new ATOM 0 HG1 THR A 254 -5.673 -5.571 -8.040 1.00 0.00 H new ATOM 0 HG21 THR A 254 -6.487 -8.909 -7.895 1.00 0.00 H new ATOM 0 HG22 THR A 254 -7.993 -8.575 -7.009 1.00 0.00 H new ATOM 0 HG23 THR A 254 -7.694 -7.796 -8.580 1.00 0.00 H new ATOM 317 N ALA A 255 -7.643 -4.077 -5.020 1.00 0.00 N ATOM 318 CA ALA A 255 -7.132 -2.938 -4.277 1.00 0.00 C ATOM 319 C ALA A 255 -7.122 -3.218 -2.775 1.00 0.00 C ATOM 320 O ALA A 255 -7.861 -4.071 -2.282 1.00 0.00 O ATOM 321 CB ALA A 255 -7.949 -1.702 -4.591 1.00 0.00 C ATOM 0 H ALA A 255 -8.587 -4.362 -4.760 1.00 0.00 H new ATOM 0 HA ALA A 255 -6.101 -2.762 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 255 -7.557 -0.854 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 255 -7.890 -1.488 -5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 255 -8.989 -1.873 -4.312 1.00 0.00 H new ATOM 327 N LEU A 256 -6.264 -2.495 -2.066 1.00 0.00 N ATOM 328 CA LEU A 256 -6.097 -2.657 -0.620 1.00 0.00 C ATOM 329 C LEU A 256 -7.209 -1.972 0.158 1.00 0.00 C ATOM 330 O LEU A 256 -7.497 -0.808 -0.083 1.00 0.00 O ATOM 331 CB LEU A 256 -4.766 -2.053 -0.162 1.00 0.00 C ATOM 332 CG LEU A 256 -3.564 -2.986 -0.156 1.00 0.00 C ATOM 333 CD1 LEU A 256 -3.774 -4.135 0.814 1.00 0.00 C ATOM 334 CD2 LEU A 256 -3.312 -3.505 -1.544 1.00 0.00 C ATOM 0 H LEU A 256 -5.663 -1.779 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 256 -6.123 -3.729 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 256 -4.536 -1.205 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 256 -4.898 -1.660 0.846 1.00 0.00 H new ATOM 0 HG LEU A 256 -2.690 -2.425 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 256 -2.901 -4.787 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 256 -3.916 -3.740 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 256 -4.656 -4.703 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 256 -2.450 -4.172 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 256 -4.189 -4.051 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 256 -3.114 -2.669 -2.215 1.00 0.00 H new ATOM 346 N ALA A 257 -7.801 -2.690 1.106 1.00 0.00 N ATOM 347 CA ALA A 257 -8.750 -2.107 2.046 1.00 0.00 C ATOM 348 C ALA A 257 -8.032 -1.642 3.302 1.00 0.00 C ATOM 349 O ALA A 257 -7.716 -2.435 4.191 1.00 0.00 O ATOM 350 CB ALA A 257 -9.838 -3.105 2.387 1.00 0.00 C ATOM 0 H ALA A 257 -7.638 -3.687 1.244 1.00 0.00 H new ATOM 0 HA ALA A 257 -9.217 -1.240 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -10.538 -2.654 3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -10.369 -3.389 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -9.391 -3.991 2.838 1.00 0.00 H new ATOM 356 N LEU A 258 -7.762 -0.350 3.350 1.00 0.00 N ATOM 357 CA LEU A 258 -6.987 0.251 4.440 1.00 0.00 C ATOM 358 C LEU A 258 -7.369 1.722 4.617 1.00 0.00 C ATOM 359 O LEU A 258 -8.130 2.263 3.833 1.00 0.00 O ATOM 360 CB LEU A 258 -5.472 0.102 4.195 1.00 0.00 C ATOM 361 CG LEU A 258 -5.059 -0.436 2.834 1.00 0.00 C ATOM 362 CD1 LEU A 258 -5.560 0.461 1.723 1.00 0.00 C ATOM 363 CD2 LEU A 258 -3.553 -0.566 2.758 1.00 0.00 C ATOM 0 H LEU A 258 -8.069 0.317 2.642 1.00 0.00 H new ATOM 0 HA LEU A 258 -7.226 -0.281 5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -5.006 1.077 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -5.065 -0.557 4.961 1.00 0.00 H new ATOM 0 HG LEU A 258 -5.508 -1.421 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -5.251 0.054 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -6.648 0.516 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -5.142 1.460 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -3.270 -0.952 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -3.095 0.412 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -3.207 -1.251 3.532 1.00 0.00 H new ATOM 375 N GLU A 259 -6.835 2.369 5.638 1.00 0.00 N ATOM 376 CA GLU A 259 -7.351 3.652 6.072 1.00 0.00 C ATOM 377 C GLU A 259 -6.211 4.583 6.524 1.00 0.00 C ATOM 378 O GLU A 259 -5.044 4.188 6.530 1.00 0.00 O ATOM 379 CB GLU A 259 -8.369 3.371 7.195 1.00 0.00 C ATOM 380 CG GLU A 259 -8.798 4.570 8.014 1.00 0.00 C ATOM 381 CD GLU A 259 -9.941 4.261 8.960 1.00 0.00 C ATOM 382 OE1 GLU A 259 -9.915 3.198 9.615 1.00 0.00 O ATOM 383 OE2 GLU A 259 -10.869 5.090 9.060 1.00 0.00 O ATOM 0 H GLU A 259 -6.043 2.025 6.182 1.00 0.00 H new ATOM 0 HA GLU A 259 -7.845 4.176 5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -9.257 2.923 6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -7.941 2.629 7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -7.946 4.935 8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -9.097 5.374 7.342 1.00 0.00 H new ATOM 390 N VAL A 260 -6.560 5.824 6.862 1.00 0.00 N ATOM 391 CA VAL A 260 -5.618 6.796 7.404 1.00 0.00 C ATOM 392 C VAL A 260 -4.944 6.271 8.670 1.00 0.00 C ATOM 393 O VAL A 260 -5.613 5.974 9.663 1.00 0.00 O ATOM 394 CB VAL A 260 -6.334 8.120 7.750 1.00 0.00 C ATOM 395 CG1 VAL A 260 -5.342 9.150 8.270 1.00 0.00 C ATOM 396 CG2 VAL A 260 -7.096 8.658 6.547 1.00 0.00 C ATOM 0 H VAL A 260 -7.510 6.183 6.766 1.00 0.00 H new ATOM 0 HA VAL A 260 -4.864 6.969 6.636 1.00 0.00 H new ATOM 0 HB VAL A 260 -7.057 7.917 8.540 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -5.868 10.075 8.507 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -4.858 8.767 9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -4.589 9.347 7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -7.591 9.591 6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -6.401 8.840 5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -7.843 7.929 6.233 1.00 0.00 H new ATOM 406 N GLY A 261 -3.629 6.140 8.619 1.00 0.00 N ATOM 407 CA GLY A 261 -2.866 5.753 9.784 1.00 0.00 C ATOM 408 C GLY A 261 -2.416 4.315 9.710 1.00 0.00 C ATOM 409 O GLY A 261 -1.741 3.822 10.613 1.00 0.00 O ATOM 0 H GLY A 261 -3.071 6.297 7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 261 -1.995 6.401 9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 261 -3.471 5.898 10.679 1.00 0.00 H new ATOM 413 N GLU A 262 -2.795 3.634 8.636 1.00 0.00 N ATOM 414 CA GLU A 262 -2.612 2.185 8.560 1.00 0.00 C ATOM 415 C GLU A 262 -1.349 1.816 7.786 1.00 0.00 C ATOM 416 O GLU A 262 -0.615 2.691 7.332 1.00 0.00 O ATOM 417 CB GLU A 262 -3.849 1.526 7.956 1.00 0.00 C ATOM 418 CG GLU A 262 -5.106 1.831 8.750 1.00 0.00 C ATOM 419 CD GLU A 262 -6.160 0.745 8.660 1.00 0.00 C ATOM 420 OE1 GLU A 262 -6.667 0.481 7.554 1.00 0.00 O ATOM 421 OE2 GLU A 262 -6.493 0.147 9.705 1.00 0.00 O ATOM 0 H GLU A 262 -3.227 4.053 7.812 1.00 0.00 H new ATOM 0 HA GLU A 262 -2.483 1.807 9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 262 -3.977 1.870 6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 262 -3.700 0.447 7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 262 -4.838 1.979 9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 262 -5.532 2.769 8.394 1.00 0.00 H new ATOM 428 N LEU A 263 -1.099 0.521 7.644 1.00 0.00 N ATOM 429 CA LEU A 263 0.166 0.043 7.111 1.00 0.00 C ATOM 430 C LEU A 263 -0.068 -1.045 6.065 1.00 0.00 C ATOM 431 O LEU A 263 -0.872 -1.957 6.265 1.00 0.00 O ATOM 432 CB LEU A 263 1.011 -0.469 8.298 1.00 0.00 C ATOM 433 CG LEU A 263 2.488 -0.844 8.048 1.00 0.00 C ATOM 434 CD1 LEU A 263 2.638 -2.021 7.097 1.00 0.00 C ATOM 435 CD2 LEU A 263 3.259 0.359 7.541 1.00 0.00 C ATOM 0 H LEU A 263 -1.758 -0.217 7.892 1.00 0.00 H new ATOM 0 HA LEU A 263 0.701 0.846 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 263 0.991 0.297 9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 263 0.511 -1.348 8.705 1.00 0.00 H new ATOM 0 HG LEU A 263 2.907 -1.158 9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 263 3.696 -2.242 6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 263 2.137 -2.894 7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 263 2.188 -1.772 6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 263 4.298 0.079 7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 263 2.818 0.707 6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 263 3.216 1.157 8.282 1.00 0.00 H new ATOM 447 N VAL A 264 0.634 -0.932 4.943 1.00 0.00 N ATOM 448 CA VAL A 264 0.613 -1.959 3.912 1.00 0.00 C ATOM 449 C VAL A 264 2.041 -2.398 3.603 1.00 0.00 C ATOM 450 O VAL A 264 2.965 -1.594 3.665 1.00 0.00 O ATOM 451 CB VAL A 264 -0.071 -1.464 2.609 1.00 0.00 C ATOM 452 CG1 VAL A 264 0.831 -0.526 1.812 1.00 0.00 C ATOM 453 CG2 VAL A 264 -0.500 -2.640 1.752 1.00 0.00 C ATOM 0 H VAL A 264 1.229 -0.132 4.725 1.00 0.00 H new ATOM 0 HA VAL A 264 0.032 -2.799 4.292 1.00 0.00 H new ATOM 0 HB VAL A 264 -0.955 -0.898 2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 264 0.313 -0.204 0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 264 1.077 0.345 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 264 1.748 -1.048 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 264 -0.977 -2.273 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 264 0.374 -3.236 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 264 -1.205 -3.258 2.308 1.00 0.00 H new ATOM 463 N LYS A 265 2.226 -3.664 3.297 1.00 0.00 N ATOM 464 CA LYS A 265 3.532 -4.157 2.903 1.00 0.00 C ATOM 465 C LYS A 265 3.585 -4.267 1.389 1.00 0.00 C ATOM 466 O LYS A 265 3.064 -5.211 0.807 1.00 0.00 O ATOM 467 CB LYS A 265 3.822 -5.516 3.540 1.00 0.00 C ATOM 468 CG LYS A 265 5.211 -6.040 3.222 1.00 0.00 C ATOM 469 CD LYS A 265 5.398 -7.468 3.709 1.00 0.00 C ATOM 470 CE LYS A 265 5.192 -7.595 5.212 1.00 0.00 C ATOM 471 NZ LYS A 265 5.307 -9.008 5.662 1.00 0.00 N ATOM 0 H LYS A 265 1.491 -4.371 3.313 1.00 0.00 H new ATOM 0 HA LYS A 265 4.292 -3.458 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 265 3.710 -5.435 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 265 3.081 -6.237 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 265 5.378 -5.998 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 265 5.958 -5.396 3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 265 4.696 -8.121 3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 265 6.401 -7.810 3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 265 5.929 -6.985 5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 265 4.210 -7.206 5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 5.161 -9.058 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 4.587 -9.585 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 6.253 -9.371 5.429 1.00 0.00 H new ATOM 485 N VAL A 266 4.186 -3.279 0.755 1.00 0.00 N ATOM 486 CA VAL A 266 4.284 -3.255 -0.689 1.00 0.00 C ATOM 487 C VAL A 266 5.244 -4.334 -1.172 1.00 0.00 C ATOM 488 O VAL A 266 6.439 -4.288 -0.892 1.00 0.00 O ATOM 489 CB VAL A 266 4.716 -1.862 -1.190 1.00 0.00 C ATOM 490 CG1 VAL A 266 4.989 -1.877 -2.680 1.00 0.00 C ATOM 491 CG2 VAL A 266 3.650 -0.836 -0.866 1.00 0.00 C ATOM 0 H VAL A 266 4.615 -2.480 1.221 1.00 0.00 H new ATOM 0 HA VAL A 266 3.298 -3.463 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 266 5.640 -1.591 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 266 5.292 -0.881 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 266 5.787 -2.587 -2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 266 4.085 -2.173 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 266 3.967 0.143 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 266 2.716 -1.116 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 266 3.499 -0.796 0.213 1.00 0.00 H new ATOM 501 N THR A 267 4.690 -5.308 -1.885 1.00 0.00 N ATOM 502 CA THR A 267 5.421 -6.502 -2.279 1.00 0.00 C ATOM 503 C THR A 267 6.058 -6.357 -3.644 1.00 0.00 C ATOM 504 O THR A 267 7.125 -6.918 -3.901 1.00 0.00 O ATOM 505 CB THR A 267 4.479 -7.715 -2.268 1.00 0.00 C ATOM 506 OG1 THR A 267 3.305 -7.421 -3.040 1.00 0.00 O ATOM 507 CG2 THR A 267 4.078 -8.059 -0.842 1.00 0.00 C ATOM 0 H THR A 267 3.722 -5.290 -2.205 1.00 0.00 H new ATOM 0 HA THR A 267 6.225 -6.649 -1.557 1.00 0.00 H new ATOM 0 HB THR A 267 4.999 -8.568 -2.704 1.00 0.00 H new ATOM 0 HG1 THR A 267 2.706 -8.197 -3.033 1.00 0.00 H new ATOM 0 HG21 THR A 267 3.410 -8.921 -0.850 1.00 0.00 H new ATOM 0 HG22 THR A 267 4.969 -8.296 -0.260 1.00 0.00 H new ATOM 0 HG23 THR A 267 3.567 -7.208 -0.392 1.00 0.00 H new ATOM 515 N LYS A 268 5.421 -5.611 -4.523 1.00 0.00 N ATOM 516 CA LYS A 268 6.017 -5.342 -5.803 1.00 0.00 C ATOM 517 C LYS A 268 6.282 -3.873 -5.942 1.00 0.00 C ATOM 518 O LYS A 268 5.370 -3.068 -6.124 1.00 0.00 O ATOM 519 CB LYS A 268 5.180 -5.857 -6.959 1.00 0.00 C ATOM 520 CG LYS A 268 5.975 -6.812 -7.823 1.00 0.00 C ATOM 521 CD LYS A 268 7.240 -6.162 -8.350 1.00 0.00 C ATOM 522 CE LYS A 268 6.937 -5.045 -9.339 1.00 0.00 C ATOM 523 NZ LYS A 268 8.174 -4.443 -9.905 1.00 0.00 N ATOM 0 H LYS A 268 4.505 -5.188 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 268 6.962 -5.884 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 268 4.294 -6.361 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 268 4.833 -5.019 -7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 268 6.234 -7.699 -7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 268 5.360 -7.146 -8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 268 7.816 -5.762 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 268 7.861 -6.916 -8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 268 6.322 -5.437 -10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 268 6.353 -4.271 -8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 7.992 -4.127 -10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 8.461 -3.629 -9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 8.935 -5.152 -9.908 1.00 0.00 H new ATOM 537 N ILE A 269 7.550 -3.554 -5.870 1.00 0.00 N ATOM 538 CA ILE A 269 7.994 -2.178 -5.769 1.00 0.00 C ATOM 539 C ILE A 269 8.327 -1.552 -7.113 1.00 0.00 C ATOM 540 O ILE A 269 8.638 -2.242 -8.086 1.00 0.00 O ATOM 541 CB ILE A 269 9.179 -2.023 -4.788 1.00 0.00 C ATOM 542 CG1 ILE A 269 10.148 -3.206 -4.866 1.00 0.00 C ATOM 543 CG2 ILE A 269 8.637 -1.912 -3.387 1.00 0.00 C ATOM 544 CD1 ILE A 269 10.556 -3.554 -6.270 1.00 0.00 C ATOM 0 H ILE A 269 8.307 -4.238 -5.879 1.00 0.00 H new ATOM 0 HA ILE A 269 7.142 -1.629 -5.368 1.00 0.00 H new ATOM 0 HB ILE A 269 9.733 -1.125 -5.063 1.00 0.00 H new ATOM 0 HG12 ILE A 269 11.040 -2.974 -4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 269 9.683 -4.077 -4.404 1.00 0.00 H new ATOM 0 HG21 ILE A 269 9.463 -1.802 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 269 7.984 -1.042 -3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 269 8.071 -2.811 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 269 11.243 -4.400 -6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 269 9.672 -3.817 -6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 269 11.050 -2.697 -6.728 1.00 0.00 H new ATOM 556 N ASN A 270 8.212 -0.236 -7.160 1.00 0.00 N ATOM 557 CA ASN A 270 8.522 0.526 -8.358 1.00 0.00 C ATOM 558 C ASN A 270 9.113 1.877 -7.969 1.00 0.00 C ATOM 559 O ASN A 270 9.275 2.159 -6.782 1.00 0.00 O ATOM 560 CB ASN A 270 7.267 0.690 -9.215 1.00 0.00 C ATOM 561 CG ASN A 270 6.341 1.787 -8.732 1.00 0.00 C ATOM 562 OD1 ASN A 270 6.304 2.874 -9.295 1.00 0.00 O ATOM 563 ND2 ASN A 270 5.613 1.524 -7.668 1.00 0.00 N ATOM 0 H ASN A 270 7.902 0.333 -6.372 1.00 0.00 H new ATOM 0 HA ASN A 270 9.262 -0.010 -8.952 1.00 0.00 H new ATOM 0 HB2 ASN A 270 7.564 0.903 -10.242 1.00 0.00 H new ATOM 0 HB3 ASN A 270 6.722 -0.254 -9.230 1.00 0.00 H new ATOM 0 HD21 ASN A 270 4.992 2.237 -7.286 1.00 0.00 H new ATOM 0 HD22 ASN A 270 5.670 0.607 -7.225 1.00 0.00 H new ATOM 570 N VAL A 271 9.426 2.709 -8.949 1.00 0.00 N ATOM 571 CA VAL A 271 10.015 4.015 -8.669 1.00 0.00 C ATOM 572 C VAL A 271 8.948 5.090 -8.431 1.00 0.00 C ATOM 573 O VAL A 271 9.095 5.941 -7.551 1.00 0.00 O ATOM 574 CB VAL A 271 10.942 4.462 -9.810 1.00 0.00 C ATOM 575 CG1 VAL A 271 11.594 5.797 -9.491 1.00 0.00 C ATOM 576 CG2 VAL A 271 11.992 3.399 -10.098 1.00 0.00 C ATOM 0 H VAL A 271 9.285 2.509 -9.939 1.00 0.00 H new ATOM 0 HA VAL A 271 10.597 3.901 -7.755 1.00 0.00 H new ATOM 0 HB VAL A 271 10.336 4.592 -10.707 1.00 0.00 H new ATOM 0 HG11 VAL A 271 12.245 6.090 -10.315 1.00 0.00 H new ATOM 0 HG12 VAL A 271 10.823 6.554 -9.351 1.00 0.00 H new ATOM 0 HG13 VAL A 271 12.183 5.705 -8.578 1.00 0.00 H new ATOM 0 HG21 VAL A 271 12.638 3.736 -10.909 1.00 0.00 H new ATOM 0 HG22 VAL A 271 12.592 3.228 -9.204 1.00 0.00 H new ATOM 0 HG23 VAL A 271 11.500 2.471 -10.388 1.00 0.00 H new ATOM 586 N SER A 272 7.866 5.035 -9.199 1.00 0.00 N ATOM 587 CA SER A 272 6.851 6.088 -9.185 1.00 0.00 C ATOM 588 C SER A 272 5.994 6.056 -7.914 1.00 0.00 C ATOM 589 O SER A 272 5.474 7.086 -7.481 1.00 0.00 O ATOM 590 CB SER A 272 5.947 5.939 -10.409 1.00 0.00 C ATOM 591 OG SER A 272 6.693 5.538 -11.547 1.00 0.00 O ATOM 0 H SER A 272 7.666 4.270 -9.843 1.00 0.00 H new ATOM 0 HA SER A 272 7.372 7.045 -9.206 1.00 0.00 H new ATOM 0 HB2 SER A 272 5.168 5.205 -10.203 1.00 0.00 H new ATOM 0 HB3 SER A 272 5.446 6.886 -10.613 1.00 0.00 H new ATOM 0 HG SER A 272 6.093 5.448 -12.316 1.00 0.00 H new ATOM 597 N GLY A 273 5.839 4.875 -7.319 1.00 0.00 N ATOM 598 CA GLY A 273 4.973 4.739 -6.164 1.00 0.00 C ATOM 599 C GLY A 273 3.653 4.102 -6.531 1.00 0.00 C ATOM 600 O GLY A 273 2.777 3.922 -5.693 1.00 0.00 O ATOM 0 H GLY A 273 6.297 4.014 -7.617 1.00 0.00 H new ATOM 0 HA2 GLY A 273 5.470 4.136 -5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 273 4.794 5.720 -5.725 1.00 0.00 H new ATOM 604 N GLN A 274 3.522 3.774 -7.803 1.00 0.00 N ATOM 605 CA GLN A 274 2.356 3.074 -8.316 1.00 0.00 C ATOM 606 C GLN A 274 2.601 1.574 -8.231 1.00 0.00 C ATOM 607 O GLN A 274 2.900 0.927 -9.233 1.00 0.00 O ATOM 608 CB GLN A 274 2.112 3.487 -9.770 1.00 0.00 C ATOM 609 CG GLN A 274 1.957 4.985 -9.961 1.00 0.00 C ATOM 610 CD GLN A 274 0.515 5.451 -9.894 1.00 0.00 C ATOM 611 OE1 GLN A 274 0.156 6.467 -10.491 1.00 0.00 O ATOM 612 NE2 GLN A 274 -0.331 4.705 -9.197 1.00 0.00 N ATOM 0 H GLN A 274 4.223 3.986 -8.513 1.00 0.00 H new ATOM 0 HA GLN A 274 1.477 3.330 -7.724 1.00 0.00 H new ATOM 0 HB2 GLN A 274 2.942 3.136 -10.382 1.00 0.00 H new ATOM 0 HB3 GLN A 274 1.214 2.988 -10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 274 2.535 5.504 -9.196 1.00 0.00 H new ATOM 0 HG3 GLN A 274 2.379 5.267 -10.926 1.00 0.00 H new ATOM 0 HE21 GLN A 274 0.003 3.870 -8.715 1.00 0.00 H new ATOM 0 HE22 GLN A 274 -1.316 4.966 -9.142 1.00 0.00 H new ATOM 621 N TRP A 275 2.497 1.025 -7.032 1.00 0.00 N ATOM 622 CA TRP A 275 2.920 -0.350 -6.806 1.00 0.00 C ATOM 623 C TRP A 275 1.809 -1.221 -6.265 1.00 0.00 C ATOM 624 O TRP A 275 0.707 -0.753 -5.967 1.00 0.00 O ATOM 625 CB TRP A 275 4.119 -0.428 -5.857 1.00 0.00 C ATOM 626 CG TRP A 275 4.185 0.637 -4.815 1.00 0.00 C ATOM 627 CD1 TRP A 275 3.173 1.153 -4.064 1.00 0.00 C ATOM 628 CD2 TRP A 275 5.377 1.287 -4.388 1.00 0.00 C ATOM 629 NE1 TRP A 275 3.668 2.130 -3.233 1.00 0.00 N ATOM 630 CE2 TRP A 275 5.023 2.215 -3.406 1.00 0.00 C ATOM 631 CE3 TRP A 275 6.710 1.172 -4.760 1.00 0.00 C ATOM 632 CZ2 TRP A 275 5.960 3.029 -2.787 1.00 0.00 C ATOM 633 CZ3 TRP A 275 7.644 1.973 -4.151 1.00 0.00 C ATOM 634 CH2 TRP A 275 7.269 2.893 -3.171 1.00 0.00 C ATOM 0 H TRP A 275 2.129 1.502 -6.209 1.00 0.00 H new ATOM 0 HA TRP A 275 3.209 -0.728 -7.787 1.00 0.00 H new ATOM 0 HB2 TRP A 275 4.104 -1.398 -5.360 1.00 0.00 H new ATOM 0 HB3 TRP A 275 5.033 -0.388 -6.450 1.00 0.00 H new ATOM 0 HD1 TRP A 275 2.140 0.842 -4.114 1.00 0.00 H new ATOM 0 HE1 TRP A 275 3.115 2.699 -2.592 1.00 0.00 H new ATOM 0 HE3 TRP A 275 7.008 0.462 -5.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 275 5.669 3.743 -2.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 275 8.683 1.890 -4.434 1.00 0.00 H new ATOM 0 HH2 TRP A 275 8.024 3.509 -2.706 1.00 0.00 H new ATOM 645 N GLU A 276 2.133 -2.498 -6.133 1.00 0.00 N ATOM 646 CA GLU A 276 1.208 -3.480 -5.617 1.00 0.00 C ATOM 647 C GLU A 276 1.503 -3.715 -4.144 1.00 0.00 C ATOM 648 O GLU A 276 2.641 -4.003 -3.760 1.00 0.00 O ATOM 649 CB GLU A 276 1.331 -4.779 -6.417 1.00 0.00 C ATOM 650 CG GLU A 276 0.337 -5.852 -6.015 1.00 0.00 C ATOM 651 CD GLU A 276 0.402 -7.068 -6.908 1.00 0.00 C ATOM 652 OE1 GLU A 276 1.384 -7.834 -6.809 1.00 0.00 O ATOM 653 OE2 GLU A 276 -0.517 -7.256 -7.732 1.00 0.00 O ATOM 0 H GLU A 276 3.046 -2.877 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 276 0.185 -3.118 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 276 1.199 -4.555 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 276 2.341 -5.172 -6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 276 0.529 -6.152 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 276 -0.671 -5.438 -6.044 1.00 0.00 H new ATOM 660 N GLY A 277 0.472 -3.592 -3.335 1.00 0.00 N ATOM 661 CA GLY A 277 0.620 -3.663 -1.906 1.00 0.00 C ATOM 662 C GLY A 277 -0.030 -4.903 -1.332 1.00 0.00 C ATOM 663 O GLY A 277 -0.987 -5.430 -1.900 1.00 0.00 O ATOM 0 H GLY A 277 -0.486 -3.441 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 277 1.680 -3.657 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 277 0.177 -2.777 -1.451 1.00 0.00 H new ATOM 667 N GLU A 278 0.493 -5.378 -0.222 1.00 0.00 N ATOM 668 CA GLU A 278 -0.103 -6.491 0.484 1.00 0.00 C ATOM 669 C GLU A 278 -0.120 -6.205 1.978 1.00 0.00 C ATOM 670 O GLU A 278 0.924 -6.004 2.587 1.00 0.00 O ATOM 671 CB GLU A 278 0.677 -7.780 0.215 1.00 0.00 C ATOM 672 CG GLU A 278 0.206 -8.958 1.057 1.00 0.00 C ATOM 673 CD GLU A 278 1.240 -10.059 1.180 1.00 0.00 C ATOM 674 OE1 GLU A 278 1.575 -10.689 0.154 1.00 0.00 O ATOM 675 OE2 GLU A 278 1.696 -10.321 2.315 1.00 0.00 O ATOM 0 H GLU A 278 1.337 -5.007 0.214 1.00 0.00 H new ATOM 0 HA GLU A 278 -1.125 -6.620 0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 278 0.586 -8.038 -0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 278 1.735 -7.603 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 278 -0.055 -8.602 2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 278 -0.702 -9.370 0.617 1.00 0.00 H new ATOM 682 N CYS A 279 -1.292 -6.177 2.577 1.00 0.00 N ATOM 683 CA CYS A 279 -1.366 -5.989 4.007 1.00 0.00 C ATOM 684 C CYS A 279 -1.607 -7.327 4.675 1.00 0.00 C ATOM 685 O CYS A 279 -2.745 -7.796 4.745 1.00 0.00 O ATOM 686 CB CYS A 279 -2.471 -4.999 4.374 1.00 0.00 C ATOM 687 SG CYS A 279 -2.512 -4.573 6.128 1.00 0.00 S ATOM 0 H CYS A 279 -2.190 -6.280 2.105 1.00 0.00 H new ATOM 0 HA CYS A 279 -0.422 -5.573 4.358 1.00 0.00 H new ATOM 0 HB2 CYS A 279 -2.338 -4.088 3.791 1.00 0.00 H new ATOM 0 HB3 CYS A 279 -3.434 -5.422 4.089 1.00 0.00 H new ATOM 0 HG CYS A 279 -1.845 -3.474 6.323 1.00 0.00 H new ATOM 693 N ASN A 280 -0.510 -7.925 5.151 1.00 0.00 N ATOM 694 CA ASN A 280 -0.532 -9.198 5.875 1.00 0.00 C ATOM 695 C ASN A 280 -1.576 -10.165 5.315 1.00 0.00 C ATOM 696 O ASN A 280 -2.477 -10.608 6.029 1.00 0.00 O ATOM 697 CB ASN A 280 -0.759 -8.960 7.372 1.00 0.00 C ATOM 698 CG ASN A 280 0.482 -8.426 8.073 1.00 0.00 C ATOM 699 OD1 ASN A 280 1.296 -9.193 8.585 1.00 0.00 O ATOM 700 ND2 ASN A 280 0.643 -7.109 8.102 1.00 0.00 N ATOM 0 H ASN A 280 0.426 -7.535 5.043 1.00 0.00 H new ATOM 0 HA ASN A 280 0.442 -9.666 5.736 1.00 0.00 H new ATOM 0 HB2 ASN A 280 -1.579 -8.254 7.504 1.00 0.00 H new ATOM 0 HB3 ASN A 280 -1.064 -9.894 7.843 1.00 0.00 H new ATOM 0 HD21 ASN A 280 1.461 -6.705 8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 280 -0.051 -6.501 7.668 1.00 0.00 H new ATOM 707 N GLY A 281 -1.449 -10.480 4.031 1.00 0.00 N ATOM 708 CA GLY A 281 -2.356 -11.425 3.408 1.00 0.00 C ATOM 709 C GLY A 281 -3.209 -10.817 2.309 1.00 0.00 C ATOM 710 O GLY A 281 -3.472 -11.469 1.303 1.00 0.00 O ATOM 0 H GLY A 281 -0.735 -10.098 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 281 -1.778 -12.250 2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 281 -3.009 -11.846 4.172 1.00 0.00 H new ATOM 714 N LYS A 282 -3.652 -9.580 2.483 1.00 0.00 N ATOM 715 CA LYS A 282 -4.502 -8.935 1.482 1.00 0.00 C ATOM 716 C LYS A 282 -3.657 -8.357 0.354 1.00 0.00 C ATOM 717 O LYS A 282 -2.732 -7.598 0.610 1.00 0.00 O ATOM 718 CB LYS A 282 -5.287 -7.810 2.138 1.00 0.00 C ATOM 719 CG LYS A 282 -5.906 -8.198 3.464 1.00 0.00 C ATOM 720 CD LYS A 282 -6.004 -6.990 4.371 1.00 0.00 C ATOM 721 CE LYS A 282 -6.541 -7.353 5.743 1.00 0.00 C ATOM 722 NZ LYS A 282 -6.753 -6.151 6.596 1.00 0.00 N ATOM 0 H LYS A 282 -3.442 -9.004 3.298 1.00 0.00 H new ATOM 0 HA LYS A 282 -5.182 -9.680 1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 282 -4.626 -6.957 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 282 -6.075 -7.484 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 282 -6.898 -8.620 3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 282 -5.305 -8.972 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 282 -5.019 -6.534 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 282 -6.654 -6.244 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 282 -7.483 -7.890 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 282 -5.844 -8.030 6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 -7.120 -6.444 7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 -5.850 -5.652 6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 -7.438 -5.516 6.138 1.00 0.00 H new ATOM 736 N ARG A 283 -3.991 -8.687 -0.889 1.00 0.00 N ATOM 737 CA ARG A 283 -3.243 -8.171 -2.034 1.00 0.00 C ATOM 738 C ARG A 283 -4.062 -7.180 -2.851 1.00 0.00 C ATOM 739 O ARG A 283 -5.269 -7.341 -3.030 1.00 0.00 O ATOM 740 CB ARG A 283 -2.756 -9.294 -2.955 1.00 0.00 C ATOM 741 CG ARG A 283 -1.556 -10.058 -2.424 1.00 0.00 C ATOM 742 CD ARG A 283 -1.953 -11.122 -1.421 1.00 0.00 C ATOM 743 NE ARG A 283 -0.788 -11.679 -0.744 1.00 0.00 N ATOM 744 CZ ARG A 283 -0.733 -12.894 -0.208 1.00 0.00 C ATOM 745 NH1 ARG A 283 -1.766 -13.721 -0.300 1.00 0.00 N ATOM 746 NH2 ARG A 283 0.370 -13.274 0.418 1.00 0.00 N ATOM 0 H ARG A 283 -4.767 -9.303 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 283 -2.378 -7.656 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 283 -3.575 -9.994 -3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 283 -2.501 -8.868 -3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 283 -1.027 -10.524 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 283 -0.862 -9.361 -1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 283 -2.633 -10.694 -0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 283 -2.495 -11.919 -1.930 1.00 0.00 H new ATOM 0 HE ARG A 283 0.045 -11.094 -0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 283 -2.613 -13.427 -0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 283 -1.713 -14.651 0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 283 1.164 -12.637 0.484 1.00 0.00 H new ATOM 0 HH22 ARG A 283 0.426 -14.204 0.834 1.00 0.00 H new ATOM 760 N GLY A 284 -3.382 -6.152 -3.324 1.00 0.00 N ATOM 761 CA GLY A 284 -3.979 -5.179 -4.226 1.00 0.00 C ATOM 762 C GLY A 284 -2.942 -4.169 -4.680 1.00 0.00 C ATOM 763 O GLY A 284 -1.762 -4.449 -4.596 1.00 0.00 O ATOM 0 H GLY A 284 -2.405 -5.967 -3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 284 -4.402 -5.689 -5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 284 -4.800 -4.666 -3.725 1.00 0.00 H new ATOM 767 N HIS A 285 -3.352 -2.993 -5.142 1.00 0.00 N ATOM 768 CA HIS A 285 -2.381 -1.985 -5.589 1.00 0.00 C ATOM 769 C HIS A 285 -2.897 -0.564 -5.373 1.00 0.00 C ATOM 770 O HIS A 285 -4.094 -0.313 -5.480 1.00 0.00 O ATOM 771 CB HIS A 285 -1.985 -2.206 -7.058 1.00 0.00 C ATOM 772 CG HIS A 285 -3.138 -2.277 -8.012 1.00 0.00 C ATOM 773 ND1 HIS A 285 -3.597 -1.195 -8.729 1.00 0.00 N ATOM 774 CD2 HIS A 285 -3.922 -3.317 -8.368 1.00 0.00 C ATOM 775 CE1 HIS A 285 -4.616 -1.568 -9.479 1.00 0.00 C ATOM 776 NE2 HIS A 285 -4.834 -2.853 -9.279 1.00 0.00 N ATOM 0 H HIS A 285 -4.329 -2.712 -5.219 1.00 0.00 H new ATOM 0 HA HIS A 285 -1.489 -2.106 -4.975 1.00 0.00 H new ATOM 0 HB2 HIS A 285 -1.324 -1.397 -7.368 1.00 0.00 H new ATOM 0 HB3 HIS A 285 -1.413 -3.131 -7.131 1.00 0.00 H new ATOM 0 HD2 HIS A 285 -3.844 -4.330 -8.001 1.00 0.00 H new ATOM 0 HE1 HIS A 285 -5.177 -0.929 -10.145 1.00 0.00 H new ATOM 0 HE2 HIS A 285 -5.561 -3.409 -9.728 1.00 0.00 H new ATOM 785 N PHE A 286 -1.977 0.357 -5.074 1.00 0.00 N ATOM 786 CA PHE A 286 -2.323 1.750 -4.773 1.00 0.00 C ATOM 787 C PHE A 286 -1.145 2.680 -5.095 1.00 0.00 C ATOM 788 O PHE A 286 -0.007 2.217 -5.247 1.00 0.00 O ATOM 789 CB PHE A 286 -2.716 1.889 -3.294 1.00 0.00 C ATOM 790 CG PHE A 286 -4.202 1.849 -3.047 1.00 0.00 C ATOM 791 CD1 PHE A 286 -4.951 3.015 -3.092 1.00 0.00 C ATOM 792 CD2 PHE A 286 -4.848 0.656 -2.762 1.00 0.00 C ATOM 793 CE1 PHE A 286 -6.313 2.992 -2.865 1.00 0.00 C ATOM 794 CE2 PHE A 286 -6.214 0.629 -2.534 1.00 0.00 C ATOM 795 CZ PHE A 286 -6.943 1.798 -2.583 1.00 0.00 C ATOM 0 H PHE A 286 -0.977 0.161 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 286 -3.171 2.038 -5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 286 -2.242 1.088 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 286 -2.320 2.829 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 286 -4.463 3.954 -3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 286 -4.280 -0.262 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 286 -6.884 3.908 -2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 286 -6.708 -0.307 -2.318 1.00 0.00 H new ATOM 0 HZ PHE A 286 -8.007 1.779 -2.401 1.00 0.00 H new ATOM 805 N PRO A 287 -1.405 4.005 -5.217 1.00 0.00 N ATOM 806 CA PRO A 287 -0.391 4.986 -5.586 1.00 0.00 C ATOM 807 C PRO A 287 0.309 5.646 -4.391 1.00 0.00 C ATOM 808 O PRO A 287 -0.099 5.498 -3.233 1.00 0.00 O ATOM 809 CB PRO A 287 -1.212 6.021 -6.349 1.00 0.00 C ATOM 810 CG PRO A 287 -2.563 5.998 -5.712 1.00 0.00 C ATOM 811 CD PRO A 287 -2.721 4.652 -5.043 1.00 0.00 C ATOM 0 HA PRO A 287 0.425 4.528 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 287 -0.761 7.011 -6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 287 -1.272 5.772 -7.409 1.00 0.00 H new ATOM 0 HG2 PRO A 287 -2.658 6.803 -4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 287 -3.343 6.150 -6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 287 -2.976 4.759 -3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 287 -3.516 4.068 -5.506 1.00 0.00 H new ATOM 819 N PHE A 288 1.350 6.408 -4.723 1.00 0.00 N ATOM 820 CA PHE A 288 2.253 7.040 -3.754 1.00 0.00 C ATOM 821 C PHE A 288 1.647 8.317 -3.160 1.00 0.00 C ATOM 822 O PHE A 288 2.085 8.805 -2.116 1.00 0.00 O ATOM 823 CB PHE A 288 3.547 7.391 -4.501 1.00 0.00 C ATOM 824 CG PHE A 288 4.765 7.596 -3.647 1.00 0.00 C ATOM 825 CD1 PHE A 288 5.075 8.844 -3.132 1.00 0.00 C ATOM 826 CD2 PHE A 288 5.620 6.538 -3.392 1.00 0.00 C ATOM 827 CE1 PHE A 288 6.211 9.029 -2.369 1.00 0.00 C ATOM 828 CE2 PHE A 288 6.759 6.714 -2.636 1.00 0.00 C ATOM 829 CZ PHE A 288 7.057 7.964 -2.123 1.00 0.00 C ATOM 0 H PHE A 288 1.597 6.609 -5.692 1.00 0.00 H new ATOM 0 HA PHE A 288 2.435 6.353 -2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 288 3.758 6.595 -5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 288 3.375 8.300 -5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 288 4.422 9.681 -3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 288 5.392 5.561 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 288 6.438 10.005 -1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 288 7.417 5.879 -2.445 1.00 0.00 H new ATOM 0 HZ PHE A 288 7.949 8.107 -1.531 1.00 0.00 H new ATOM 839 N THR A 289 0.616 8.819 -3.826 1.00 0.00 N ATOM 840 CA THR A 289 0.058 10.144 -3.563 1.00 0.00 C ATOM 841 C THR A 289 -0.366 10.361 -2.107 1.00 0.00 C ATOM 842 O THR A 289 -0.335 11.482 -1.602 1.00 0.00 O ATOM 843 CB THR A 289 -1.156 10.357 -4.480 1.00 0.00 C ATOM 844 OG1 THR A 289 -2.170 9.385 -4.186 1.00 0.00 O ATOM 845 CG2 THR A 289 -0.753 10.217 -5.935 1.00 0.00 C ATOM 0 H THR A 289 0.137 8.315 -4.572 1.00 0.00 H new ATOM 0 HA THR A 289 0.849 10.867 -3.763 1.00 0.00 H new ATOM 0 HB THR A 289 -1.542 11.361 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 289 -2.941 9.529 -4.774 1.00 0.00 H new ATOM 0 HG21 THR A 289 -1.625 10.371 -6.571 1.00 0.00 H new ATOM 0 HG22 THR A 289 0.007 10.961 -6.175 1.00 0.00 H new ATOM 0 HG23 THR A 289 -0.351 9.219 -6.107 1.00 0.00 H new ATOM 853 N HIS A 290 -0.747 9.291 -1.435 1.00 0.00 N ATOM 854 CA HIS A 290 -1.316 9.396 -0.096 1.00 0.00 C ATOM 855 C HIS A 290 -0.602 8.489 0.887 1.00 0.00 C ATOM 856 O HIS A 290 -1.230 7.916 1.784 1.00 0.00 O ATOM 857 CB HIS A 290 -2.806 9.044 -0.130 1.00 0.00 C ATOM 858 CG HIS A 290 -3.119 7.740 -0.807 1.00 0.00 C ATOM 859 ND1 HIS A 290 -4.168 7.593 -1.681 1.00 0.00 N ATOM 860 CD2 HIS A 290 -2.527 6.520 -0.729 1.00 0.00 C ATOM 861 CE1 HIS A 290 -4.215 6.353 -2.114 1.00 0.00 C ATOM 862 NE2 HIS A 290 -3.225 5.672 -1.557 1.00 0.00 N ATOM 0 H HIS A 290 -0.675 8.338 -1.790 1.00 0.00 H new ATOM 0 HA HIS A 290 -1.188 10.426 0.238 1.00 0.00 H new ATOM 0 HB2 HIS A 290 -3.182 9.008 0.892 1.00 0.00 H new ATOM 0 HB3 HIS A 290 -3.344 9.843 -0.640 1.00 0.00 H new ATOM 0 HD1 HIS A 290 -4.813 8.334 -1.953 1.00 0.00 H new ATOM 0 HD2 HIS A 290 -1.667 6.263 -0.128 1.00 0.00 H new ATOM 0 HE1 HIS A 290 -4.940 5.955 -2.809 1.00 0.00 H new ATOM 871 N VAL A 291 0.697 8.336 0.728 1.00 0.00 N ATOM 872 CA VAL A 291 1.406 7.395 1.558 1.00 0.00 C ATOM 873 C VAL A 291 2.758 7.927 2.015 1.00 0.00 C ATOM 874 O VAL A 291 3.412 8.705 1.320 1.00 0.00 O ATOM 875 CB VAL A 291 1.566 6.059 0.818 1.00 0.00 C ATOM 876 CG1 VAL A 291 2.637 6.122 -0.249 1.00 0.00 C ATOM 877 CG2 VAL A 291 1.800 4.927 1.792 1.00 0.00 C ATOM 0 H VAL A 291 1.268 8.839 0.049 1.00 0.00 H new ATOM 0 HA VAL A 291 0.812 7.238 2.458 1.00 0.00 H new ATOM 0 HB VAL A 291 0.629 5.858 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 291 2.714 5.154 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 291 2.376 6.886 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 291 3.594 6.371 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 291 1.910 3.992 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 291 2.707 5.121 2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.952 4.851 2.472 1.00 0.00 H new ATOM 887 N ARG A 292 3.144 7.500 3.201 1.00 0.00 N ATOM 888 CA ARG A 292 4.416 7.875 3.804 1.00 0.00 C ATOM 889 C ARG A 292 5.105 6.608 4.270 1.00 0.00 C ATOM 890 O ARG A 292 4.655 5.952 5.203 1.00 0.00 O ATOM 891 CB ARG A 292 4.208 8.838 4.979 1.00 0.00 C ATOM 892 CG ARG A 292 3.482 10.120 4.602 1.00 0.00 C ATOM 893 CD ARG A 292 4.210 10.866 3.494 1.00 0.00 C ATOM 894 NE ARG A 292 3.480 12.056 3.063 1.00 0.00 N ATOM 895 CZ ARG A 292 3.190 12.333 1.792 1.00 0.00 C ATOM 896 NH1 ARG A 292 3.522 11.486 0.826 1.00 0.00 N ATOM 897 NH2 ARG A 292 2.546 13.452 1.489 1.00 0.00 N ATOM 0 H ARG A 292 2.582 6.878 3.781 1.00 0.00 H new ATOM 0 HA ARG A 292 5.033 8.393 3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 292 3.643 8.328 5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 292 5.179 9.093 5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 292 2.468 9.884 4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 292 3.395 10.762 5.479 1.00 0.00 H new ATOM 0 HD2 ARG A 292 5.201 11.156 3.843 1.00 0.00 H new ATOM 0 HD3 ARG A 292 4.353 10.201 2.643 1.00 0.00 H new ATOM 0 HE ARG A 292 3.174 12.715 3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 292 4.003 10.616 1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 292 3.297 11.705 -0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 292 2.273 14.100 2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 292 2.324 13.665 0.517 1.00 0.00 H new ATOM 911 N LEU A 293 6.184 6.253 3.615 1.00 0.00 N ATOM 912 CA LEU A 293 6.707 4.913 3.737 1.00 0.00 C ATOM 913 C LEU A 293 7.706 4.774 4.867 1.00 0.00 C ATOM 914 O LEU A 293 8.561 5.636 5.083 1.00 0.00 O ATOM 915 CB LEU A 293 7.393 4.450 2.452 1.00 0.00 C ATOM 916 CG LEU A 293 6.756 4.849 1.114 1.00 0.00 C ATOM 917 CD1 LEU A 293 5.255 4.631 1.120 1.00 0.00 C ATOM 918 CD2 LEU A 293 7.094 6.291 0.770 1.00 0.00 C ATOM 0 H LEU A 293 6.714 6.867 2.997 1.00 0.00 H new ATOM 0 HA LEU A 293 5.837 4.291 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 293 8.414 4.830 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 293 7.457 3.362 2.481 1.00 0.00 H new ATOM 0 HG LEU A 293 7.174 4.202 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 293 4.841 4.925 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 293 5.041 3.578 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 293 4.803 5.233 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 293 6.634 6.555 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 293 6.716 6.950 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 293 8.176 6.403 0.693 1.00 0.00 H new ATOM 930 N LEU A 294 7.580 3.671 5.573 1.00 0.00 N ATOM 931 CA LEU A 294 8.623 3.164 6.414 1.00 0.00 C ATOM 932 C LEU A 294 9.583 2.419 5.495 1.00 0.00 C ATOM 933 O LEU A 294 9.154 1.609 4.660 1.00 0.00 O ATOM 934 CB LEU A 294 8.045 2.220 7.472 1.00 0.00 C ATOM 935 CG LEU A 294 6.698 2.629 8.071 1.00 0.00 C ATOM 936 CD1 LEU A 294 6.317 1.705 9.214 1.00 0.00 C ATOM 937 CD2 LEU A 294 6.739 4.070 8.532 1.00 0.00 C ATOM 0 H LEU A 294 6.735 3.099 5.573 1.00 0.00 H new ATOM 0 HA LEU A 294 9.131 3.967 6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 294 7.937 1.231 7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 294 8.768 2.128 8.283 1.00 0.00 H new ATOM 0 HG LEU A 294 5.935 2.540 7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 294 5.356 2.013 9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 294 6.243 0.682 8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 294 7.079 1.756 9.992 1.00 0.00 H new ATOM 0 HD21 LEU A 294 5.773 4.344 8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 294 7.514 4.188 9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 294 6.960 4.717 7.683 1.00 0.00 H new ATOM 949 N ASP A 295 10.860 2.664 5.660 1.00 0.00 N ATOM 950 CA ASP A 295 11.829 2.370 4.627 1.00 0.00 C ATOM 951 C ASP A 295 12.108 0.887 4.483 1.00 0.00 C ATOM 952 O ASP A 295 12.334 0.165 5.454 1.00 0.00 O ATOM 953 CB ASP A 295 13.122 3.141 4.893 1.00 0.00 C ATOM 954 CG ASP A 295 13.693 2.874 6.275 1.00 0.00 C ATOM 955 OD1 ASP A 295 13.212 3.486 7.257 1.00 0.00 O ATOM 956 OD2 ASP A 295 14.618 2.057 6.389 1.00 0.00 O ATOM 0 H ASP A 295 11.257 3.070 6.507 1.00 0.00 H new ATOM 0 HA ASP A 295 11.399 2.694 3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 295 13.862 2.870 4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 295 12.932 4.209 4.783 1.00 0.00 H new ATOM 961 N GLN A 296 12.080 0.462 3.229 1.00 0.00 N ATOM 962 CA GLN A 296 12.237 -0.941 2.858 1.00 0.00 C ATOM 963 C GLN A 296 13.692 -1.382 2.837 1.00 0.00 C ATOM 964 O GLN A 296 13.988 -2.537 2.541 1.00 0.00 O ATOM 965 CB GLN A 296 11.588 -1.240 1.502 1.00 0.00 C ATOM 966 CG GLN A 296 11.904 -0.244 0.394 1.00 0.00 C ATOM 967 CD GLN A 296 11.364 -0.710 -0.949 1.00 0.00 C ATOM 968 OE1 GLN A 296 11.347 -1.904 -1.235 1.00 0.00 O ATOM 969 NE2 GLN A 296 10.891 0.219 -1.773 1.00 0.00 N ATOM 0 H GLN A 296 11.947 1.084 2.432 1.00 0.00 H new ATOM 0 HA GLN A 296 11.725 -1.513 3.632 1.00 0.00 H new ATOM 0 HB2 GLN A 296 11.904 -2.231 1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 296 10.507 -1.278 1.636 1.00 0.00 H new ATOM 0 HG2 GLN A 296 11.474 0.726 0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 296 12.983 -0.106 0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 296 10.921 1.202 -1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 296 10.498 -0.051 -2.675 1.00 0.00 H new ATOM 978 N GLN A 297 14.607 -0.475 3.141 1.00 0.00 N ATOM 979 CA GLN A 297 15.985 -0.881 3.357 1.00 0.00 C ATOM 980 C GLN A 297 16.223 -1.092 4.845 1.00 0.00 C ATOM 981 O GLN A 297 17.355 -1.256 5.301 1.00 0.00 O ATOM 982 CB GLN A 297 16.999 0.088 2.719 1.00 0.00 C ATOM 983 CG GLN A 297 16.641 1.567 2.785 1.00 0.00 C ATOM 984 CD GLN A 297 16.934 2.211 4.126 1.00 0.00 C ATOM 985 OE1 GLN A 297 16.291 3.187 4.503 1.00 0.00 O ATOM 986 NE2 GLN A 297 17.911 1.685 4.849 1.00 0.00 N ATOM 0 H GLN A 297 14.427 0.524 3.242 1.00 0.00 H new ATOM 0 HA GLN A 297 16.150 -1.829 2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 297 17.964 -0.054 3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 297 17.127 -0.188 1.672 1.00 0.00 H new ATOM 0 HG2 GLN A 297 17.192 2.099 2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 297 15.581 1.684 2.560 1.00 0.00 H new ATOM 0 HE21 GLN A 297 18.422 0.874 4.502 1.00 0.00 H new ATOM 0 HE22 GLN A 297 18.152 2.091 5.753 1.00 0.00 H new ATOM 995 N ASN A 298 15.121 -1.092 5.594 1.00 0.00 N ATOM 996 CA ASN A 298 15.120 -1.534 6.981 1.00 0.00 C ATOM 997 C ASN A 298 13.793 -2.229 7.303 1.00 0.00 C ATOM 998 O ASN A 298 13.089 -1.852 8.244 1.00 0.00 O ATOM 999 CB ASN A 298 15.325 -0.359 7.930 1.00 0.00 C ATOM 1000 CG ASN A 298 16.114 -0.751 9.154 1.00 0.00 C ATOM 1001 OD1 ASN A 298 15.561 -1.224 10.153 1.00 0.00 O ATOM 1002 ND2 ASN A 298 17.417 -0.544 9.085 1.00 0.00 N ATOM 0 H ASN A 298 14.209 -0.786 5.255 1.00 0.00 H new ATOM 0 HA ASN A 298 15.944 -2.234 7.116 1.00 0.00 H new ATOM 0 HB2 ASN A 298 15.844 0.444 7.406 1.00 0.00 H new ATOM 0 HB3 ASN A 298 14.355 0.034 8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 298 18.013 -0.777 9.879 1.00 0.00 H new ATOM 0 HD22 ASN A 298 17.827 -0.151 8.238 1.00 0.00 H new TER 1009 ASN A 298