USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 479 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 279 CYS SG : rot 128:sc= 1.14 USER MOD Set 1.2: A 280 ASN : amide:sc= 0 X(o=1.1,f=1.1) USER MOD Single : A 239 TYR OH : rot 180:sc= -1.13! USER MOD Single : A 244 GLN : amide:sc= 0 K(o=0,f=-2.8) USER MOD Single : A 245 LYS NZ :NH3+ -119:sc= -1.18 (180deg=-3.97!) USER MOD Single : A 249 ASN : amide:sc= 0 X(o=0,f=-0.34) 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 254 THR OG1 : rot 1:sc= 1.24 USER MOD Single : A 265 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 267 THR OG1 : rot -33:sc= 0.612 USER MOD Single : A 268 LYS NZ :NH3+ -161:sc= -0.13 (180deg=-0.461) USER MOD Single : A 270 ASN : amide:sc= -3.5! C(o=-3.5!,f=-9.8!) USER MOD Single : A 272 SER OG : rot 180:sc= 0 USER MOD Single : A 274 GLN :FLIP amide:sc= -0.961 F(o=-2.5,f=-0.96) USER MOD Single : A 282 LYS NZ :NH3+ -151:sc= -0.0549 (180deg=-0.713) USER MOD Single : A 285 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.58) USER MOD Single : A 289 THR OG1 : rot -26:sc= 0.546 USER MOD Single : A 290 HIS :FLIP no HD1:sc= -1.09 F(o=-3!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 237 10.269 -5.850 0.522 1.00 0.00 N ATOM 9 CA PRO A 237 9.031 -5.080 0.680 1.00 0.00 C ATOM 10 C PRO A 237 9.217 -3.847 1.550 1.00 0.00 C ATOM 11 O PRO A 237 10.001 -3.854 2.504 1.00 0.00 O ATOM 12 CB PRO A 237 8.084 -6.064 1.389 1.00 0.00 C ATOM 13 CG PRO A 237 8.693 -7.403 1.170 1.00 0.00 C ATOM 14 CD PRO A 237 10.171 -7.162 1.173 1.00 0.00 C ATOM 0 HA PRO A 237 8.667 -4.713 -0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 237 8.001 -5.836 2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 237 7.078 -6.014 0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 237 8.405 -8.101 1.956 1.00 0.00 H new ATOM 0 HG3 PRO A 237 8.366 -7.836 0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 237 10.580 -7.147 2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 237 10.711 -7.932 0.622 1.00 0.00 H new ATOM 22 N ILE A 238 8.496 -2.791 1.219 1.00 0.00 N ATOM 23 CA ILE A 238 8.478 -1.604 2.057 1.00 0.00 C ATOM 24 C ILE A 238 7.335 -1.696 3.051 1.00 0.00 C ATOM 25 O ILE A 238 6.454 -2.551 2.922 1.00 0.00 O ATOM 26 CB ILE A 238 8.304 -0.316 1.249 1.00 0.00 C ATOM 27 CG1 ILE A 238 6.835 0.002 1.020 1.00 0.00 C ATOM 28 CG2 ILE A 238 9.022 -0.424 -0.081 1.00 0.00 C ATOM 29 CD1 ILE A 238 6.676 1.202 0.152 1.00 0.00 C ATOM 0 H ILE A 238 7.918 -2.730 0.381 1.00 0.00 H new ATOM 0 HA ILE A 238 9.442 -1.564 2.564 1.00 0.00 H new ATOM 0 HB ILE A 238 8.742 0.498 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 238 6.342 -0.853 0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 238 6.343 0.174 1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 238 8.888 0.500 -0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 238 10.085 -0.593 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 238 8.610 -1.257 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 238 5.616 1.407 0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 238 7.149 2.061 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 238 7.147 1.018 -0.813 1.00 0.00 H new ATOM 41 N TYR A 239 7.340 -0.816 4.031 1.00 0.00 N ATOM 42 CA TYR A 239 6.188 -0.659 4.893 1.00 0.00 C ATOM 43 C TYR A 239 5.647 0.737 4.699 1.00 0.00 C ATOM 44 O TYR A 239 6.344 1.698 4.953 1.00 0.00 O ATOM 45 CB TYR A 239 6.552 -0.879 6.362 1.00 0.00 C ATOM 46 CG TYR A 239 6.893 -2.307 6.682 1.00 0.00 C ATOM 47 CD1 TYR A 239 5.923 -3.295 6.606 1.00 0.00 C ATOM 48 CD2 TYR A 239 8.181 -2.669 7.056 1.00 0.00 C ATOM 49 CE1 TYR A 239 6.226 -4.605 6.894 1.00 0.00 C ATOM 50 CE2 TYR A 239 8.492 -3.982 7.346 1.00 0.00 C ATOM 51 CZ TYR A 239 7.511 -4.948 7.264 1.00 0.00 C ATOM 52 OH TYR A 239 7.816 -6.257 7.554 1.00 0.00 O ATOM 0 H TYR A 239 8.125 -0.202 4.249 1.00 0.00 H new ATOM 0 HA TYR A 239 5.438 -1.405 4.631 1.00 0.00 H new ATOM 0 HB2 TYR A 239 7.400 -0.244 6.618 1.00 0.00 H new ATOM 0 HB3 TYR A 239 5.717 -0.563 6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 239 4.916 -3.032 6.317 1.00 0.00 H new ATOM 0 HD2 TYR A 239 8.949 -1.913 7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 239 5.460 -5.364 6.831 1.00 0.00 H new ATOM 0 HE2 TYR A 239 9.497 -4.251 7.635 1.00 0.00 H new ATOM 0 HH TYR A 239 8.763 -6.326 7.795 1.00 0.00 H new ATOM 62 N ALA A 240 4.416 0.866 4.265 1.00 0.00 N ATOM 63 CA ALA A 240 3.890 2.180 3.969 1.00 0.00 C ATOM 64 C ALA A 240 2.787 2.551 4.935 1.00 0.00 C ATOM 65 O ALA A 240 1.751 1.888 5.006 1.00 0.00 O ATOM 66 CB ALA A 240 3.388 2.245 2.534 1.00 0.00 C ATOM 0 H ALA A 240 3.768 0.093 4.111 1.00 0.00 H new ATOM 0 HA ALA A 240 4.699 2.902 4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 240 2.996 3.242 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 240 4.210 2.032 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 240 2.598 1.508 2.391 1.00 0.00 H new ATOM 72 N ARG A 241 3.035 3.609 5.684 1.00 0.00 N ATOM 73 CA ARG A 241 2.052 4.158 6.591 1.00 0.00 C ATOM 74 C ARG A 241 1.116 5.058 5.798 1.00 0.00 C ATOM 75 O ARG A 241 1.461 6.180 5.429 1.00 0.00 O ATOM 76 CB ARG A 241 2.757 4.925 7.719 1.00 0.00 C ATOM 77 CG ARG A 241 1.819 5.791 8.551 1.00 0.00 C ATOM 78 CD ARG A 241 0.913 4.946 9.432 1.00 0.00 C ATOM 79 NE ARG A 241 1.623 4.428 10.606 1.00 0.00 N ATOM 80 CZ ARG A 241 1.245 3.349 11.291 1.00 0.00 C ATOM 81 NH1 ARG A 241 0.207 2.633 10.875 1.00 0.00 N ATOM 82 NH2 ARG A 241 1.909 2.987 12.380 1.00 0.00 N ATOM 0 H ARG A 241 3.924 4.110 5.679 1.00 0.00 H new ATOM 0 HA ARG A 241 1.467 3.363 7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 241 3.256 4.211 8.375 1.00 0.00 H new ATOM 0 HB3 ARG A 241 3.533 5.557 7.287 1.00 0.00 H new ATOM 0 HG2 ARG A 241 2.404 6.468 9.173 1.00 0.00 H new ATOM 0 HG3 ARG A 241 1.212 6.409 7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 241 0.062 5.544 9.757 1.00 0.00 H new ATOM 0 HD3 ARG A 241 0.515 4.114 8.851 1.00 0.00 H new ATOM 0 HE ARG A 241 2.458 4.924 10.918 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -0.299 2.909 10.033 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -0.085 1.807 11.397 1.00 0.00 H new ATOM 0 HH21 ARG A 241 2.710 3.534 12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 241 1.619 2.161 12.903 1.00 0.00 H new ATOM 96 N VAL A 242 -0.065 4.547 5.516 1.00 0.00 N ATOM 97 CA VAL A 242 -0.997 5.236 4.645 1.00 0.00 C ATOM 98 C VAL A 242 -1.865 6.215 5.420 1.00 0.00 C ATOM 99 O VAL A 242 -2.394 5.890 6.485 1.00 0.00 O ATOM 100 CB VAL A 242 -1.886 4.245 3.867 1.00 0.00 C ATOM 101 CG1 VAL A 242 -2.502 3.214 4.799 1.00 0.00 C ATOM 102 CG2 VAL A 242 -2.975 4.990 3.122 1.00 0.00 C ATOM 0 H VAL A 242 -0.403 3.655 5.878 1.00 0.00 H new ATOM 0 HA VAL A 242 -0.399 5.798 3.927 1.00 0.00 H new ATOM 0 HB VAL A 242 -1.257 3.721 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 242 -3.124 2.528 4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 242 -1.710 2.655 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 242 -3.115 3.719 5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 242 -3.595 4.278 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 242 -3.592 5.539 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 242 -2.522 5.689 2.419 1.00 0.00 H new ATOM 112 N ILE A 243 -2.014 7.410 4.860 1.00 0.00 N ATOM 113 CA ILE A 243 -2.739 8.485 5.514 1.00 0.00 C ATOM 114 C ILE A 243 -4.067 8.777 4.820 1.00 0.00 C ATOM 115 O ILE A 243 -4.744 9.748 5.151 1.00 0.00 O ATOM 116 CB ILE A 243 -1.873 9.773 5.584 1.00 0.00 C ATOM 117 CG1 ILE A 243 -1.352 10.199 4.198 1.00 0.00 C ATOM 118 CG2 ILE A 243 -0.700 9.559 6.527 1.00 0.00 C ATOM 119 CD1 ILE A 243 -2.370 10.921 3.340 1.00 0.00 C ATOM 0 H ILE A 243 -1.637 7.657 3.945 1.00 0.00 H new ATOM 0 HA ILE A 243 -2.959 8.154 6.529 1.00 0.00 H new ATOM 0 HB ILE A 243 -2.511 10.574 5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 243 -0.485 10.846 4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 243 -1.009 9.313 3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 243 -0.098 10.467 6.570 1.00 0.00 H new ATOM 0 HG22 ILE A 243 -1.073 9.323 7.524 1.00 0.00 H new ATOM 0 HG23 ILE A 243 -0.087 8.734 6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 243 -1.919 11.184 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 243 -3.229 10.271 3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 243 -2.696 11.828 3.848 1.00 0.00 H new ATOM 131 N GLN A 244 -4.448 7.919 3.877 1.00 0.00 N ATOM 132 CA GLN A 244 -5.625 8.165 3.054 1.00 0.00 C ATOM 133 C GLN A 244 -5.867 6.991 2.116 1.00 0.00 C ATOM 134 O GLN A 244 -5.247 6.893 1.061 1.00 0.00 O ATOM 135 CB GLN A 244 -5.433 9.444 2.234 1.00 0.00 C ATOM 136 CG GLN A 244 -6.663 9.870 1.446 1.00 0.00 C ATOM 137 CD GLN A 244 -6.392 11.063 0.550 1.00 0.00 C ATOM 138 OE1 GLN A 244 -5.282 11.238 0.049 1.00 0.00 O ATOM 139 NE2 GLN A 244 -7.395 11.902 0.351 1.00 0.00 N ATOM 0 H GLN A 244 -3.959 7.049 3.665 1.00 0.00 H new ATOM 0 HA GLN A 244 -6.489 8.282 3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -5.147 10.253 2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -4.604 9.297 1.541 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -7.009 9.034 0.838 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -7.468 10.115 2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -8.302 11.724 0.783 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -7.262 12.727 -0.234 1.00 0.00 H new ATOM 148 N LYS A 245 -6.722 6.075 2.524 1.00 0.00 N ATOM 149 CA LYS A 245 -7.099 4.964 1.670 1.00 0.00 C ATOM 150 C LYS A 245 -8.551 4.583 1.929 1.00 0.00 C ATOM 151 O LYS A 245 -9.129 4.957 2.952 1.00 0.00 O ATOM 152 CB LYS A 245 -6.155 3.779 1.892 1.00 0.00 C ATOM 153 CG LYS A 245 -5.385 3.348 0.643 1.00 0.00 C ATOM 154 CD LYS A 245 -3.977 2.894 1.014 1.00 0.00 C ATOM 155 CE LYS A 245 -3.281 2.129 -0.096 1.00 0.00 C ATOM 156 NZ LYS A 245 -1.914 1.691 0.302 1.00 0.00 N ATOM 0 H LYS A 245 -7.169 6.077 3.441 1.00 0.00 H new ATOM 0 HA LYS A 245 -7.010 5.263 0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -5.441 4.039 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -6.734 2.931 2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -5.915 2.537 0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -5.332 4.177 -0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -3.378 3.767 1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -4.028 2.265 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -3.877 1.257 -0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -3.216 2.757 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -1.213 2.121 -0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -1.724 1.991 1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -1.849 0.655 0.239 1.00 0.00 H new ATOM 170 N ARG A 246 -9.138 3.863 0.993 1.00 0.00 N ATOM 171 CA ARG A 246 -10.538 3.465 1.069 1.00 0.00 C ATOM 172 C ARG A 246 -10.627 1.984 1.393 1.00 0.00 C ATOM 173 O ARG A 246 -9.605 1.339 1.590 1.00 0.00 O ATOM 174 CB ARG A 246 -11.232 3.748 -0.262 1.00 0.00 C ATOM 175 CG ARG A 246 -10.702 2.907 -1.412 1.00 0.00 C ATOM 176 CD ARG A 246 -11.290 3.356 -2.737 1.00 0.00 C ATOM 177 NE ARG A 246 -10.928 4.740 -3.040 1.00 0.00 N ATOM 178 CZ ARG A 246 -10.454 5.152 -4.211 1.00 0.00 C ATOM 179 NH1 ARG A 246 -10.380 4.314 -5.236 1.00 0.00 N ATOM 180 NH2 ARG A 246 -10.083 6.414 -4.358 1.00 0.00 N ATOM 0 H ARG A 246 -8.660 3.534 0.154 1.00 0.00 H new ATOM 0 HA ARG A 246 -11.033 4.036 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -12.301 3.566 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -11.112 4.803 -0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -9.615 2.981 -1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -10.944 1.858 -1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -10.935 2.703 -3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -12.375 3.261 -2.706 1.00 0.00 H new ATOM 0 HE ARG A 246 -11.047 5.435 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -10.688 3.348 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -10.015 4.636 -6.133 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -10.162 7.063 -3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -9.718 6.737 -5.254 1.00 0.00 H new ATOM 194 N VAL A 247 -11.842 1.448 1.460 1.00 0.00 N ATOM 195 CA VAL A 247 -12.028 0.015 1.686 1.00 0.00 C ATOM 196 C VAL A 247 -12.405 -0.711 0.383 1.00 0.00 C ATOM 197 O VAL A 247 -13.579 -0.971 0.120 1.00 0.00 O ATOM 198 CB VAL A 247 -13.106 -0.253 2.762 1.00 0.00 C ATOM 199 CG1 VAL A 247 -13.185 -1.739 3.094 1.00 0.00 C ATOM 200 CG2 VAL A 247 -12.820 0.561 4.017 1.00 0.00 C ATOM 0 H VAL A 247 -12.708 1.978 1.362 1.00 0.00 H new ATOM 0 HA VAL A 247 -11.075 -0.376 2.043 1.00 0.00 H new ATOM 0 HB VAL A 247 -14.071 0.056 2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -13.950 -1.902 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -13.441 -2.300 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -12.221 -2.079 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -13.588 0.360 4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -11.845 0.283 4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -12.822 1.623 3.770 1.00 0.00 H new ATOM 210 N PRO A 248 -11.400 -1.008 -0.459 1.00 0.00 N ATOM 211 CA PRO A 248 -11.535 -1.780 -1.688 1.00 0.00 C ATOM 212 C PRO A 248 -11.298 -3.264 -1.435 1.00 0.00 C ATOM 213 O PRO A 248 -11.019 -3.671 -0.316 1.00 0.00 O ATOM 214 CB PRO A 248 -10.410 -1.219 -2.578 1.00 0.00 C ATOM 215 CG PRO A 248 -9.637 -0.276 -1.707 1.00 0.00 C ATOM 216 CD PRO A 248 -10.021 -0.607 -0.305 1.00 0.00 C ATOM 0 HA PRO A 248 -12.530 -1.699 -2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 248 -9.771 -2.019 -2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 248 -10.818 -0.704 -3.447 1.00 0.00 H new ATOM 0 HG2 PRO A 248 -8.564 -0.396 -1.857 1.00 0.00 H new ATOM 0 HG3 PRO A 248 -9.878 0.760 -1.944 1.00 0.00 H new ATOM 0 HD2 PRO A 248 -9.407 -1.407 0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 248 -9.917 0.250 0.360 1.00 0.00 H new ATOM 224 N ASN A 249 -11.439 -4.071 -2.462 1.00 0.00 N ATOM 225 CA ASN A 249 -11.136 -5.488 -2.350 1.00 0.00 C ATOM 226 C ASN A 249 -10.228 -5.918 -3.494 1.00 0.00 C ATOM 227 O ASN A 249 -9.950 -5.138 -4.408 1.00 0.00 O ATOM 228 CB ASN A 249 -12.429 -6.315 -2.385 1.00 0.00 C ATOM 229 CG ASN A 249 -13.323 -6.097 -1.176 1.00 0.00 C ATOM 230 OD1 ASN A 249 -12.850 -5.963 -0.048 1.00 0.00 O ATOM 231 ND2 ASN A 249 -14.627 -6.040 -1.410 1.00 0.00 N ATOM 0 H ASN A 249 -11.760 -3.776 -3.384 1.00 0.00 H new ATOM 0 HA ASN A 249 -10.629 -5.660 -1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 249 -12.986 -6.065 -3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 249 -12.173 -7.372 -2.451 1.00 0.00 H new ATOM 0 HD21 ASN A 249 -15.277 -5.880 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 249 -14.980 -6.156 -2.360 1.00 0.00 H new ATOM 238 N ALA A 250 -9.786 -7.170 -3.458 1.00 0.00 N ATOM 239 CA ALA A 250 -8.987 -7.735 -4.539 1.00 0.00 C ATOM 240 C ALA A 250 -9.856 -7.980 -5.768 1.00 0.00 C ATOM 241 O ALA A 250 -9.413 -8.548 -6.762 1.00 0.00 O ATOM 242 CB ALA A 250 -8.325 -9.025 -4.089 1.00 0.00 C ATOM 0 H ALA A 250 -9.968 -7.815 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 250 -8.207 -7.022 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 250 -7.732 -9.434 -4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 250 -7.676 -8.823 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 250 -9.090 -9.745 -3.800 1.00 0.00 H new ATOM 248 N TYR A 251 -11.103 -7.551 -5.672 1.00 0.00 N ATOM 249 CA TYR A 251 -12.037 -7.604 -6.786 1.00 0.00 C ATOM 250 C TYR A 251 -12.108 -6.232 -7.447 1.00 0.00 C ATOM 251 O TYR A 251 -12.805 -6.039 -8.442 1.00 0.00 O ATOM 252 CB TYR A 251 -13.434 -8.015 -6.308 1.00 0.00 C ATOM 253 CG TYR A 251 -13.505 -9.407 -5.722 1.00 0.00 C ATOM 254 CD1 TYR A 251 -12.952 -9.686 -4.480 1.00 0.00 C ATOM 255 CD2 TYR A 251 -14.132 -10.440 -6.406 1.00 0.00 C ATOM 256 CE1 TYR A 251 -13.020 -10.954 -3.937 1.00 0.00 C ATOM 257 CE2 TYR A 251 -14.204 -11.711 -5.869 1.00 0.00 C ATOM 258 CZ TYR A 251 -13.647 -11.963 -4.635 1.00 0.00 C ATOM 259 OH TYR A 251 -13.715 -13.228 -4.102 1.00 0.00 O ATOM 0 H TYR A 251 -11.498 -7.155 -4.819 1.00 0.00 H new ATOM 0 HA TYR A 251 -11.686 -8.347 -7.502 1.00 0.00 H new ATOM 0 HB2 TYR A 251 -13.774 -7.300 -5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 251 -14.126 -7.951 -7.147 1.00 0.00 H new ATOM 0 HD1 TYR A 251 -12.460 -8.898 -3.929 1.00 0.00 H new ATOM 0 HD2 TYR A 251 -14.571 -10.247 -7.374 1.00 0.00 H new ATOM 0 HE1 TYR A 251 -12.584 -11.154 -2.970 1.00 0.00 H new ATOM 0 HE2 TYR A 251 -14.695 -12.503 -6.415 1.00 0.00 H new ATOM 0 HH TYR A 251 -14.191 -13.819 -4.722 1.00 0.00 H new ATOM 269 N ASP A 252 -11.380 -5.282 -6.870 1.00 0.00 N ATOM 270 CA ASP A 252 -11.377 -3.904 -7.356 1.00 0.00 C ATOM 271 C ASP A 252 -10.084 -3.632 -8.092 1.00 0.00 C ATOM 272 O ASP A 252 -9.283 -2.796 -7.670 1.00 0.00 O ATOM 273 CB ASP A 252 -11.536 -2.901 -6.207 1.00 0.00 C ATOM 274 CG ASP A 252 -12.934 -2.883 -5.631 1.00 0.00 C ATOM 275 OD1 ASP A 252 -13.880 -2.533 -6.365 1.00 0.00 O ATOM 276 OD2 ASP A 252 -13.099 -3.228 -4.445 1.00 0.00 O ATOM 0 H ASP A 252 -10.781 -5.441 -6.060 1.00 0.00 H new ATOM 0 HA ASP A 252 -12.225 -3.780 -8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 252 -10.826 -3.146 -5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 252 -11.283 -1.903 -6.565 1.00 0.00 H new ATOM 281 N LYS A 253 -9.888 -4.349 -9.195 1.00 0.00 N ATOM 282 CA LYS A 253 -8.619 -4.339 -9.913 1.00 0.00 C ATOM 283 C LYS A 253 -7.509 -4.773 -8.965 1.00 0.00 C ATOM 284 O LYS A 253 -6.346 -4.421 -9.142 1.00 0.00 O ATOM 285 CB LYS A 253 -8.309 -2.953 -10.504 1.00 0.00 C ATOM 286 CG LYS A 253 -9.376 -2.426 -11.456 1.00 0.00 C ATOM 287 CD LYS A 253 -10.494 -1.713 -10.710 1.00 0.00 C ATOM 288 CE LYS A 253 -11.646 -1.356 -11.630 1.00 0.00 C ATOM 289 NZ LYS A 253 -12.669 -0.520 -10.944 1.00 0.00 N ATOM 0 H LYS A 253 -10.599 -4.949 -9.613 1.00 0.00 H new ATOM 0 HA LYS A 253 -8.688 -5.036 -10.749 1.00 0.00 H new ATOM 0 HB2 LYS A 253 -8.184 -2.242 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 253 -7.357 -3.001 -11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 253 -8.920 -1.740 -12.170 1.00 0.00 H new ATOM 0 HG3 LYS A 253 -9.792 -3.254 -12.030 1.00 0.00 H new ATOM 0 HD2 LYS A 253 -10.857 -2.350 -9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 253 -10.103 -0.806 -10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 253 -11.263 -0.820 -12.499 1.00 0.00 H new ATOM 0 HE3 LYS A 253 -12.112 -2.270 -11.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 -13.438 -0.299 -11.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 -13.053 -1.040 -10.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 -12.231 0.364 -10.615 1.00 0.00 H new ATOM 303 N THR A 254 -7.917 -5.547 -7.956 1.00 0.00 N ATOM 304 CA THR A 254 -7.065 -5.988 -6.863 1.00 0.00 C ATOM 305 C THR A 254 -6.430 -4.796 -6.156 1.00 0.00 C ATOM 306 O THR A 254 -5.256 -4.475 -6.349 1.00 0.00 O ATOM 307 CB THR A 254 -5.986 -7.007 -7.293 1.00 0.00 C ATOM 308 OG1 THR A 254 -5.020 -6.416 -8.173 1.00 0.00 O ATOM 309 CG2 THR A 254 -6.612 -8.206 -7.982 1.00 0.00 C ATOM 0 H THR A 254 -8.875 -5.890 -7.880 1.00 0.00 H new ATOM 0 HA THR A 254 -7.717 -6.513 -6.165 1.00 0.00 H new ATOM 0 HB THR A 254 -5.482 -7.332 -6.383 1.00 0.00 H new ATOM 0 HG1 THR A 254 -5.238 -5.470 -8.310 1.00 0.00 H new ATOM 0 HG21 THR A 254 -5.830 -8.907 -8.274 1.00 0.00 H new ATOM 0 HG22 THR A 254 -7.304 -8.698 -7.298 1.00 0.00 H new ATOM 0 HG23 THR A 254 -7.152 -7.875 -8.869 1.00 0.00 H new ATOM 317 N ALA A 255 -7.228 -4.119 -5.353 1.00 0.00 N ATOM 318 CA ALA A 255 -6.742 -2.983 -4.588 1.00 0.00 C ATOM 319 C ALA A 255 -6.766 -3.274 -3.089 1.00 0.00 C ATOM 320 O ALA A 255 -7.585 -4.051 -2.602 1.00 0.00 O ATOM 321 CB ALA A 255 -7.553 -1.748 -4.909 1.00 0.00 C ATOM 0 H ALA A 255 -8.215 -4.334 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 255 -5.705 -2.801 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 255 -7.178 -0.905 -4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 255 -7.468 -1.523 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 255 -8.599 -1.924 -4.658 1.00 0.00 H new ATOM 327 N LEU A 256 -5.841 -2.644 -2.381 1.00 0.00 N ATOM 328 CA LEU A 256 -5.656 -2.860 -0.944 1.00 0.00 C ATOM 329 C LEU A 256 -6.783 -2.221 -0.128 1.00 0.00 C ATOM 330 O LEU A 256 -7.117 -1.066 -0.337 1.00 0.00 O ATOM 331 CB LEU A 256 -4.323 -2.244 -0.523 1.00 0.00 C ATOM 332 CG LEU A 256 -3.570 -2.915 0.610 1.00 0.00 C ATOM 333 CD1 LEU A 256 -4.450 -3.814 1.428 1.00 0.00 C ATOM 334 CD2 LEU A 256 -2.499 -3.714 -0.010 1.00 0.00 C ATOM 0 H LEU A 256 -5.193 -1.966 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 256 -5.667 -3.933 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 256 -3.670 -2.225 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 256 -4.506 -1.208 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 256 -3.183 -2.154 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 256 -3.863 -4.270 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 256 -5.262 -3.231 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 256 -4.865 -4.595 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 256 -1.925 -4.219 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 256 -2.938 -4.456 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 256 -1.840 -3.059 -0.580 1.00 0.00 H new ATOM 346 N ALA A 257 -7.332 -2.970 0.818 1.00 0.00 N ATOM 347 CA ALA A 257 -8.332 -2.454 1.741 1.00 0.00 C ATOM 348 C ALA A 257 -7.701 -1.990 3.042 1.00 0.00 C ATOM 349 O ALA A 257 -7.311 -2.798 3.892 1.00 0.00 O ATOM 350 CB ALA A 257 -9.376 -3.504 2.006 1.00 0.00 C ATOM 0 H ALA A 257 -7.097 -3.951 0.967 1.00 0.00 H new ATOM 0 HA ALA A 257 -8.806 -1.588 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -10.121 -3.110 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -9.861 -3.780 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -8.904 -4.384 2.443 1.00 0.00 H new ATOM 356 N LEU A 258 -7.604 -0.681 3.164 1.00 0.00 N ATOM 357 CA LEU A 258 -6.955 -0.029 4.308 1.00 0.00 C ATOM 358 C LEU A 258 -7.357 1.445 4.352 1.00 0.00 C ATOM 359 O LEU A 258 -8.038 1.920 3.459 1.00 0.00 O ATOM 360 CB LEU A 258 -5.421 -0.183 4.226 1.00 0.00 C ATOM 361 CG LEU A 258 -4.713 0.464 3.033 1.00 0.00 C ATOM 362 CD1 LEU A 258 -3.269 0.043 2.997 1.00 0.00 C ATOM 363 CD2 LEU A 258 -5.348 0.093 1.715 1.00 0.00 C ATOM 0 H LEU A 258 -7.972 -0.027 2.473 1.00 0.00 H new ATOM 0 HA LEU A 258 -7.285 -0.511 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -4.991 0.231 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -5.189 -1.248 4.219 1.00 0.00 H new ATOM 0 HG LEU A 258 -4.800 1.542 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -2.775 0.509 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -2.776 0.356 3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -3.208 -1.041 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -4.808 0.578 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -5.308 -0.988 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -6.387 0.421 1.707 1.00 0.00 H new ATOM 375 N GLU A 259 -6.941 2.178 5.370 1.00 0.00 N ATOM 376 CA GLU A 259 -7.451 3.533 5.560 1.00 0.00 C ATOM 377 C GLU A 259 -6.379 4.491 6.064 1.00 0.00 C ATOM 378 O GLU A 259 -5.187 4.189 6.033 1.00 0.00 O ATOM 379 CB GLU A 259 -8.631 3.522 6.536 1.00 0.00 C ATOM 380 CG GLU A 259 -8.240 3.210 7.968 1.00 0.00 C ATOM 381 CD GLU A 259 -9.420 3.233 8.911 1.00 0.00 C ATOM 382 OE1 GLU A 259 -10.077 2.185 9.076 1.00 0.00 O ATOM 383 OE2 GLU A 259 -9.691 4.297 9.509 1.00 0.00 O ATOM 0 H GLU A 259 -6.264 1.870 6.068 1.00 0.00 H new ATOM 0 HA GLU A 259 -7.780 3.890 4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -9.123 4.494 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -9.361 2.786 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -7.768 2.228 8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -7.497 3.934 8.304 1.00 0.00 H new ATOM 390 N VAL A 260 -6.828 5.654 6.523 1.00 0.00 N ATOM 391 CA VAL A 260 -5.951 6.660 7.095 1.00 0.00 C ATOM 392 C VAL A 260 -5.371 6.196 8.431 1.00 0.00 C ATOM 393 O VAL A 260 -6.104 5.839 9.357 1.00 0.00 O ATOM 394 CB VAL A 260 -6.696 8.005 7.277 1.00 0.00 C ATOM 395 CG1 VAL A 260 -8.020 7.813 8.005 1.00 0.00 C ATOM 396 CG2 VAL A 260 -5.821 9.009 8.009 1.00 0.00 C ATOM 0 H VAL A 260 -7.812 5.923 6.507 1.00 0.00 H new ATOM 0 HA VAL A 260 -5.127 6.809 6.397 1.00 0.00 H new ATOM 0 HB VAL A 260 -6.917 8.399 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -8.517 8.777 8.116 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -8.657 7.140 7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -7.835 7.385 8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -6.364 9.947 8.126 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -5.560 8.616 8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -4.911 9.185 7.435 1.00 0.00 H new ATOM 406 N GLY A 261 -4.049 6.155 8.503 1.00 0.00 N ATOM 407 CA GLY A 261 -3.378 5.850 9.746 1.00 0.00 C ATOM 408 C GLY A 261 -2.833 4.442 9.772 1.00 0.00 C ATOM 409 O GLY A 261 -2.227 4.024 10.754 1.00 0.00 O ATOM 0 H GLY A 261 -3.426 6.329 7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 261 -2.562 6.556 9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 261 -4.074 5.983 10.574 1.00 0.00 H new ATOM 413 N GLU A 262 -3.053 3.705 8.695 1.00 0.00 N ATOM 414 CA GLU A 262 -2.751 2.282 8.684 1.00 0.00 C ATOM 415 C GLU A 262 -1.409 1.997 8.022 1.00 0.00 C ATOM 416 O GLU A 262 -0.673 2.915 7.670 1.00 0.00 O ATOM 417 CB GLU A 262 -3.864 1.516 7.982 1.00 0.00 C ATOM 418 CG GLU A 262 -5.214 1.743 8.622 1.00 0.00 C ATOM 419 CD GLU A 262 -6.119 0.537 8.502 1.00 0.00 C ATOM 420 OE1 GLU A 262 -6.673 0.311 7.412 1.00 0.00 O ATOM 421 OE2 GLU A 262 -6.269 -0.193 9.505 1.00 0.00 O ATOM 0 H GLU A 262 -3.437 4.066 7.822 1.00 0.00 H new ATOM 0 HA GLU A 262 -2.684 1.946 9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 262 -3.906 1.819 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 262 -3.633 0.451 7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 262 -5.077 1.988 9.675 1.00 0.00 H new ATOM 0 HG3 GLU A 262 -5.695 2.603 8.155 1.00 0.00 H new ATOM 428 N LEU A 263 -1.094 0.720 7.866 1.00 0.00 N ATOM 429 CA LEU A 263 0.179 0.305 7.307 1.00 0.00 C ATOM 430 C LEU A 263 -0.027 -0.777 6.258 1.00 0.00 C ATOM 431 O LEU A 263 -1.069 -1.421 6.222 1.00 0.00 O ATOM 432 CB LEU A 263 1.095 -0.209 8.416 1.00 0.00 C ATOM 433 CG LEU A 263 2.445 -0.746 7.941 1.00 0.00 C ATOM 434 CD1 LEU A 263 3.303 0.380 7.409 1.00 0.00 C ATOM 435 CD2 LEU A 263 3.163 -1.474 9.049 1.00 0.00 C ATOM 0 H LEU A 263 -1.710 -0.051 8.122 1.00 0.00 H new ATOM 0 HA LEU A 263 0.646 1.167 6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 263 1.272 0.600 9.125 1.00 0.00 H new ATOM 0 HB3 LEU A 263 0.576 -1.000 8.958 1.00 0.00 H new ATOM 0 HG LEU A 263 2.259 -1.457 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 263 4.261 -0.019 7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 263 2.797 0.858 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 263 3.471 1.113 8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 263 4.120 -1.844 8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 263 3.334 -0.792 9.882 1.00 0.00 H new ATOM 0 HD23 LEU A 263 2.555 -2.313 9.387 1.00 0.00 H new ATOM 447 N VAL A 264 0.965 -0.953 5.402 1.00 0.00 N ATOM 448 CA VAL A 264 0.907 -1.946 4.338 1.00 0.00 C ATOM 449 C VAL A 264 2.315 -2.393 3.950 1.00 0.00 C ATOM 450 O VAL A 264 3.218 -1.570 3.840 1.00 0.00 O ATOM 451 CB VAL A 264 0.154 -1.406 3.094 1.00 0.00 C ATOM 452 CG1 VAL A 264 0.696 -0.050 2.668 1.00 0.00 C ATOM 453 CG2 VAL A 264 0.238 -2.391 1.941 1.00 0.00 C ATOM 0 H VAL A 264 1.831 -0.415 5.423 1.00 0.00 H new ATOM 0 HA VAL A 264 0.352 -2.804 4.717 1.00 0.00 H new ATOM 0 HB VAL A 264 -0.893 -1.283 3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 264 0.148 0.302 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 264 0.575 0.663 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 264 1.754 -0.142 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 264 -0.297 -1.990 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 264 1.283 -2.552 1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 264 -0.211 -3.339 2.239 1.00 0.00 H new ATOM 463 N LYS A 265 2.506 -3.688 3.757 1.00 0.00 N ATOM 464 CA LYS A 265 3.787 -4.198 3.296 1.00 0.00 C ATOM 465 C LYS A 265 3.722 -4.473 1.801 1.00 0.00 C ATOM 466 O LYS A 265 3.158 -5.478 1.374 1.00 0.00 O ATOM 467 CB LYS A 265 4.161 -5.487 4.027 1.00 0.00 C ATOM 468 CG LYS A 265 5.518 -6.021 3.609 1.00 0.00 C ATOM 469 CD LYS A 265 5.758 -7.446 4.095 1.00 0.00 C ATOM 470 CE LYS A 265 5.680 -7.559 5.608 1.00 0.00 C ATOM 471 NZ LYS A 265 5.956 -8.942 6.078 1.00 0.00 N ATOM 0 H LYS A 265 1.794 -4.402 3.911 1.00 0.00 H new ATOM 0 HA LYS A 265 4.547 -3.445 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 265 4.162 -5.304 5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 265 3.401 -6.244 3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 265 5.597 -5.993 2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 265 6.298 -5.370 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 265 5.021 -8.110 3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 265 6.738 -7.783 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 265 6.396 -6.873 6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 265 4.689 -7.253 5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 5.893 -8.975 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 5.258 -9.594 5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 6.911 -9.226 5.780 1.00 0.00 H new ATOM 485 N VAL A 266 4.278 -3.591 0.995 1.00 0.00 N ATOM 486 CA VAL A 266 4.208 -3.788 -0.435 1.00 0.00 C ATOM 487 C VAL A 266 5.359 -4.659 -0.915 1.00 0.00 C ATOM 488 O VAL A 266 6.537 -4.313 -0.789 1.00 0.00 O ATOM 489 CB VAL A 266 4.128 -2.454 -1.217 1.00 0.00 C ATOM 490 CG1 VAL A 266 3.088 -1.546 -0.597 1.00 0.00 C ATOM 491 CG2 VAL A 266 5.459 -1.739 -1.308 1.00 0.00 C ATOM 0 H VAL A 266 4.771 -2.751 1.297 1.00 0.00 H new ATOM 0 HA VAL A 266 3.276 -4.314 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 266 3.837 -2.706 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 266 3.041 -0.611 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 266 2.114 -2.035 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 266 3.358 -1.337 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 266 5.336 -0.812 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 266 5.820 -1.512 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 266 6.181 -2.377 -1.817 1.00 0.00 H new ATOM 501 N THR A 267 4.993 -5.822 -1.426 1.00 0.00 N ATOM 502 CA THR A 267 5.958 -6.803 -1.875 1.00 0.00 C ATOM 503 C THR A 267 6.109 -6.744 -3.381 1.00 0.00 C ATOM 504 O THR A 267 6.836 -7.533 -3.983 1.00 0.00 O ATOM 505 CB THR A 267 5.555 -8.222 -1.406 1.00 0.00 C ATOM 506 OG1 THR A 267 6.551 -9.188 -1.767 1.00 0.00 O ATOM 507 CG2 THR A 267 4.203 -8.621 -1.990 1.00 0.00 C ATOM 0 H THR A 267 4.021 -6.109 -1.540 1.00 0.00 H new ATOM 0 HA THR A 267 6.925 -6.569 -1.430 1.00 0.00 H new ATOM 0 HB THR A 267 5.475 -8.201 -0.319 1.00 0.00 H new ATOM 0 HG1 THR A 267 6.967 -8.927 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 267 3.940 -9.622 -1.647 1.00 0.00 H new ATOM 0 HG22 THR A 267 3.442 -7.913 -1.662 1.00 0.00 H new ATOM 0 HG23 THR A 267 4.260 -8.614 -3.078 1.00 0.00 H new ATOM 515 N LYS A 268 5.433 -5.795 -3.992 1.00 0.00 N ATOM 516 CA LYS A 268 5.700 -5.492 -5.367 1.00 0.00 C ATOM 517 C LYS A 268 6.016 -4.020 -5.457 1.00 0.00 C ATOM 518 O LYS A 268 5.137 -3.182 -5.336 1.00 0.00 O ATOM 519 CB LYS A 268 4.519 -5.863 -6.257 1.00 0.00 C ATOM 520 CG LYS A 268 4.930 -6.231 -7.672 1.00 0.00 C ATOM 521 CD LYS A 268 5.762 -5.139 -8.300 1.00 0.00 C ATOM 522 CE LYS A 268 4.919 -3.927 -8.680 1.00 0.00 C ATOM 523 NZ LYS A 268 3.834 -4.265 -9.642 1.00 0.00 N ATOM 0 H LYS A 268 4.704 -5.230 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 268 6.546 -6.079 -5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 268 3.985 -6.702 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 268 3.823 -5.025 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 268 5.497 -7.162 -7.658 1.00 0.00 H new ATOM 0 HG3 LYS A 268 4.041 -6.408 -8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 268 6.544 -4.833 -7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 268 6.260 -5.528 -9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 268 4.481 -3.497 -7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 268 5.563 -3.164 -9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 3.504 -3.398 -10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 4.197 -4.928 -10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 3.042 -4.705 -9.131 1.00 0.00 H new ATOM 537 N ILE A 269 7.276 -3.730 -5.673 1.00 0.00 N ATOM 538 CA ILE A 269 7.767 -2.363 -5.617 1.00 0.00 C ATOM 539 C ILE A 269 8.169 -1.815 -6.982 1.00 0.00 C ATOM 540 O ILE A 269 8.410 -2.565 -7.928 1.00 0.00 O ATOM 541 CB ILE A 269 8.931 -2.202 -4.610 1.00 0.00 C ATOM 542 CG1 ILE A 269 9.779 -3.474 -4.531 1.00 0.00 C ATOM 543 CG2 ILE A 269 8.386 -1.832 -3.244 1.00 0.00 C ATOM 544 CD1 ILE A 269 10.265 -3.925 -5.879 1.00 0.00 C ATOM 0 H ILE A 269 7.990 -4.425 -5.891 1.00 0.00 H new ATOM 0 HA ILE A 269 6.923 -1.769 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 269 9.579 -1.399 -4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 269 10.635 -3.296 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 269 9.192 -4.271 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 269 9.211 -1.721 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 269 7.839 -0.892 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 269 7.716 -2.617 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 269 10.861 -4.831 -5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 269 9.411 -4.131 -6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 269 10.876 -3.141 -6.326 1.00 0.00 H new ATOM 556 N ASN A 270 8.186 -0.493 -7.071 1.00 0.00 N ATOM 557 CA ASN A 270 8.525 0.202 -8.305 1.00 0.00 C ATOM 558 C ASN A 270 9.254 1.504 -7.979 1.00 0.00 C ATOM 559 O ASN A 270 9.573 1.753 -6.816 1.00 0.00 O ATOM 560 CB ASN A 270 7.259 0.455 -9.128 1.00 0.00 C ATOM 561 CG ASN A 270 6.397 1.581 -8.591 1.00 0.00 C ATOM 562 OD1 ASN A 270 6.374 2.673 -9.140 1.00 0.00 O ATOM 563 ND2 ASN A 270 5.704 1.333 -7.497 1.00 0.00 N ATOM 0 H ASN A 270 7.966 0.127 -6.292 1.00 0.00 H new ATOM 0 HA ASN A 270 9.192 -0.417 -8.905 1.00 0.00 H new ATOM 0 HB2 ASN A 270 7.544 0.685 -10.155 1.00 0.00 H new ATOM 0 HB3 ASN A 270 6.668 -0.460 -9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 270 5.126 2.064 -7.083 1.00 0.00 H new ATOM 0 HD22 ASN A 270 5.746 0.410 -7.065 1.00 0.00 H new ATOM 570 N VAL A 271 9.512 2.334 -8.979 1.00 0.00 N ATOM 571 CA VAL A 271 10.214 3.595 -8.747 1.00 0.00 C ATOM 572 C VAL A 271 9.240 4.764 -8.517 1.00 0.00 C ATOM 573 O VAL A 271 9.527 5.682 -7.747 1.00 0.00 O ATOM 574 CB VAL A 271 11.175 3.932 -9.918 1.00 0.00 C ATOM 575 CG1 VAL A 271 10.420 4.107 -11.230 1.00 0.00 C ATOM 576 CG2 VAL A 271 12.002 5.174 -9.602 1.00 0.00 C ATOM 0 H VAL A 271 9.251 2.163 -9.950 1.00 0.00 H new ATOM 0 HA VAL A 271 10.801 3.459 -7.839 1.00 0.00 H new ATOM 0 HB VAL A 271 11.854 3.088 -10.037 1.00 0.00 H new ATOM 0 HG11 VAL A 271 11.125 4.342 -12.027 1.00 0.00 H new ATOM 0 HG12 VAL A 271 9.893 3.184 -11.472 1.00 0.00 H new ATOM 0 HG13 VAL A 271 9.701 4.920 -11.130 1.00 0.00 H new ATOM 0 HG21 VAL A 271 12.668 5.390 -10.438 1.00 0.00 H new ATOM 0 HG22 VAL A 271 11.337 6.022 -9.439 1.00 0.00 H new ATOM 0 HG23 VAL A 271 12.593 4.999 -8.703 1.00 0.00 H new ATOM 586 N SER A 272 8.078 4.705 -9.156 1.00 0.00 N ATOM 587 CA SER A 272 7.128 5.813 -9.146 1.00 0.00 C ATOM 588 C SER A 272 6.386 5.937 -7.813 1.00 0.00 C ATOM 589 O SER A 272 6.218 7.039 -7.290 1.00 0.00 O ATOM 590 CB SER A 272 6.124 5.632 -10.284 1.00 0.00 C ATOM 591 OG SER A 272 6.790 5.553 -11.533 1.00 0.00 O ATOM 0 H SER A 272 7.768 3.895 -9.692 1.00 0.00 H new ATOM 0 HA SER A 272 7.695 6.734 -9.284 1.00 0.00 H new ATOM 0 HB2 SER A 272 5.540 4.726 -10.120 1.00 0.00 H new ATOM 0 HB3 SER A 272 5.422 6.466 -10.293 1.00 0.00 H new ATOM 0 HG SER A 272 6.131 5.436 -12.248 1.00 0.00 H new ATOM 597 N GLY A 273 5.946 4.814 -7.264 1.00 0.00 N ATOM 598 CA GLY A 273 5.201 4.851 -6.024 1.00 0.00 C ATOM 599 C GLY A 273 3.858 4.160 -6.134 1.00 0.00 C ATOM 600 O GLY A 273 3.201 3.897 -5.132 1.00 0.00 O ATOM 0 H GLY A 273 6.091 3.882 -7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 273 5.787 4.376 -5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 273 5.049 5.888 -5.726 1.00 0.00 H new ATOM 604 N GLN A 274 3.439 3.881 -7.357 1.00 0.00 N ATOM 605 CA GLN A 274 2.238 3.093 -7.581 1.00 0.00 C ATOM 606 C GLN A 274 2.631 1.629 -7.631 1.00 0.00 C ATOM 607 O GLN A 274 3.025 1.109 -8.677 1.00 0.00 O ATOM 608 CB GLN A 274 1.532 3.522 -8.876 1.00 0.00 C ATOM 609 CG GLN A 274 0.101 2.995 -9.025 1.00 0.00 C ATOM 610 CD GLN A 274 0.028 1.517 -9.374 1.00 0.00 C ATOM 611 OE1 GLN A 274 -0.074 0.666 -8.364 1.00 0.00 O flip ATOM 612 NE2 GLN A 274 0.047 1.144 -10.546 1.00 0.00 N flip ATOM 0 H GLN A 274 3.911 4.187 -8.208 1.00 0.00 H new ATOM 0 HA GLN A 274 1.532 3.255 -6.766 1.00 0.00 H new ATOM 0 HB2 GLN A 274 1.511 4.611 -8.920 1.00 0.00 H new ATOM 0 HB3 GLN A 274 2.122 3.180 -9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -0.439 3.167 -8.094 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -0.409 3.568 -9.799 1.00 0.00 H new ATOM 0 HE21 GLN A 274 0.127 1.829 -11.298 1.00 0.00 H new ATOM 0 HE22 GLN A 274 -0.017 0.150 -10.766 1.00 0.00 H new ATOM 621 N TRP A 275 2.553 0.980 -6.485 1.00 0.00 N ATOM 622 CA TRP A 275 2.973 -0.406 -6.355 1.00 0.00 C ATOM 623 C TRP A 275 1.844 -1.274 -5.837 1.00 0.00 C ATOM 624 O TRP A 275 0.740 -0.790 -5.561 1.00 0.00 O ATOM 625 CB TRP A 275 4.191 -0.535 -5.429 1.00 0.00 C ATOM 626 CG TRP A 275 4.374 0.579 -4.452 1.00 0.00 C ATOM 627 CD1 TRP A 275 3.447 1.127 -3.615 1.00 0.00 C ATOM 628 CD2 TRP A 275 5.598 1.262 -4.199 1.00 0.00 C ATOM 629 NE1 TRP A 275 4.017 2.151 -2.902 1.00 0.00 N ATOM 630 CE2 TRP A 275 5.343 2.240 -3.234 1.00 0.00 C ATOM 631 CE3 TRP A 275 6.887 1.143 -4.712 1.00 0.00 C ATOM 632 CZ2 TRP A 275 6.333 3.095 -2.768 1.00 0.00 C ATOM 633 CZ3 TRP A 275 7.871 1.988 -4.254 1.00 0.00 C ATOM 634 CH2 TRP A 275 7.590 2.955 -3.288 1.00 0.00 C ATOM 0 H TRP A 275 2.200 1.393 -5.622 1.00 0.00 H new ATOM 0 HA TRP A 275 3.253 -0.751 -7.350 1.00 0.00 H new ATOM 0 HB2 TRP A 275 4.108 -1.471 -4.876 1.00 0.00 H new ATOM 0 HB3 TRP A 275 5.088 -0.607 -6.044 1.00 0.00 H new ATOM 0 HD1 TRP A 275 2.420 0.804 -3.527 1.00 0.00 H new ATOM 0 HE1 TRP A 275 3.532 2.749 -2.233 1.00 0.00 H new ATOM 0 HE3 TRP A 275 7.111 0.397 -5.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 275 6.118 3.845 -2.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 275 8.873 1.902 -4.647 1.00 0.00 H new ATOM 0 HH2 TRP A 275 8.381 3.606 -2.944 1.00 0.00 H new ATOM 645 N GLU A 276 2.132 -2.559 -5.705 1.00 0.00 N ATOM 646 CA GLU A 276 1.160 -3.514 -5.222 1.00 0.00 C ATOM 647 C GLU A 276 1.507 -3.857 -3.789 1.00 0.00 C ATOM 648 O GLU A 276 2.639 -4.262 -3.493 1.00 0.00 O ATOM 649 CB GLU A 276 1.175 -4.767 -6.097 1.00 0.00 C ATOM 650 CG GLU A 276 0.021 -5.723 -5.839 1.00 0.00 C ATOM 651 CD GLU A 276 0.127 -6.992 -6.662 1.00 0.00 C ATOM 652 OE1 GLU A 276 0.649 -6.930 -7.797 1.00 0.00 O ATOM 653 OE2 GLU A 276 -0.295 -8.061 -6.172 1.00 0.00 O ATOM 0 H GLU A 276 3.041 -2.963 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 276 0.157 -3.089 -5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 276 1.154 -4.465 -7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 276 2.114 -5.297 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 276 -0.004 -5.981 -4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 276 -0.920 -5.222 -6.067 1.00 0.00 H new ATOM 660 N GLY A 277 0.546 -3.698 -2.906 1.00 0.00 N ATOM 661 CA GLY A 277 0.812 -3.842 -1.509 1.00 0.00 C ATOM 662 C GLY A 277 0.173 -5.077 -0.940 1.00 0.00 C ATOM 663 O GLY A 277 -0.635 -5.721 -1.606 1.00 0.00 O ATOM 0 H GLY A 277 -0.421 -3.470 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 277 1.889 -3.883 -1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 277 0.443 -2.965 -0.977 1.00 0.00 H new ATOM 667 N GLU A 278 0.530 -5.409 0.280 1.00 0.00 N ATOM 668 CA GLU A 278 -0.143 -6.459 1.009 1.00 0.00 C ATOM 669 C GLU A 278 -0.031 -6.179 2.500 1.00 0.00 C ATOM 670 O GLU A 278 1.063 -6.084 3.052 1.00 0.00 O ATOM 671 CB GLU A 278 0.452 -7.820 0.643 1.00 0.00 C ATOM 672 CG GLU A 278 -0.290 -9.007 1.240 1.00 0.00 C ATOM 673 CD GLU A 278 0.298 -9.473 2.555 1.00 0.00 C ATOM 674 OE1 GLU A 278 1.418 -10.015 2.545 1.00 0.00 O ATOM 675 OE2 GLU A 278 -0.355 -9.306 3.604 1.00 0.00 O ATOM 0 H GLU A 278 1.290 -4.962 0.792 1.00 0.00 H new ATOM 0 HA GLU A 278 -1.199 -6.483 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 278 0.461 -7.920 -0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 278 1.490 -7.851 0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 278 -1.335 -8.736 1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 278 -0.275 -9.833 0.529 1.00 0.00 H new ATOM 682 N CYS A 279 -1.165 -6.019 3.144 1.00 0.00 N ATOM 683 CA CYS A 279 -1.186 -5.734 4.558 1.00 0.00 C ATOM 684 C CYS A 279 -1.840 -6.870 5.306 1.00 0.00 C ATOM 685 O CYS A 279 -3.068 -6.970 5.340 1.00 0.00 O ATOM 686 CB CYS A 279 -1.937 -4.433 4.835 1.00 0.00 C ATOM 687 SG CYS A 279 -2.103 -4.046 6.593 1.00 0.00 S ATOM 0 H CYS A 279 -2.085 -6.082 2.709 1.00 0.00 H new ATOM 0 HA CYS A 279 -0.157 -5.623 4.901 1.00 0.00 H new ATOM 0 HB2 CYS A 279 -1.418 -3.612 4.339 1.00 0.00 H new ATOM 0 HB3 CYS A 279 -2.931 -4.496 4.391 1.00 0.00 H new ATOM 0 HG CYS A 279 -1.691 -2.832 6.811 1.00 0.00 H new ATOM 693 N ASN A 280 -1.004 -7.727 5.881 1.00 0.00 N ATOM 694 CA ASN A 280 -1.449 -8.797 6.764 1.00 0.00 C ATOM 695 C ASN A 280 -2.689 -9.517 6.226 1.00 0.00 C ATOM 696 O ASN A 280 -3.705 -9.642 6.915 1.00 0.00 O ATOM 697 CB ASN A 280 -1.691 -8.230 8.166 1.00 0.00 C ATOM 698 CG ASN A 280 -0.391 -8.017 8.931 1.00 0.00 C ATOM 699 OD1 ASN A 280 0.031 -8.882 9.698 1.00 0.00 O ATOM 700 ND2 ASN A 280 0.275 -6.883 8.712 1.00 0.00 N ATOM 0 H ASN A 280 0.007 -7.698 5.747 1.00 0.00 H new ATOM 0 HA ASN A 280 -0.663 -9.550 6.814 1.00 0.00 H new ATOM 0 HB2 ASN A 280 -2.223 -7.282 8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 280 -2.333 -8.910 8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 280 1.162 -6.713 9.186 1.00 0.00 H new ATOM 0 HD22 ASN A 280 -0.102 -6.186 8.070 1.00 0.00 H new ATOM 707 N GLY A 281 -2.589 -9.998 4.992 1.00 0.00 N ATOM 708 CA GLY A 281 -3.666 -10.768 4.400 1.00 0.00 C ATOM 709 C GLY A 281 -4.277 -10.131 3.162 1.00 0.00 C ATOM 710 O GLY A 281 -4.572 -10.832 2.196 1.00 0.00 O ATOM 0 H GLY A 281 -1.777 -9.867 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 281 -3.290 -11.757 4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 281 -4.448 -10.911 5.145 1.00 0.00 H new ATOM 714 N LYS A 282 -4.465 -8.819 3.164 1.00 0.00 N ATOM 715 CA LYS A 282 -5.070 -8.162 2.005 1.00 0.00 C ATOM 716 C LYS A 282 -3.984 -7.670 1.063 1.00 0.00 C ATOM 717 O LYS A 282 -3.081 -6.969 1.489 1.00 0.00 O ATOM 718 CB LYS A 282 -5.932 -6.957 2.406 1.00 0.00 C ATOM 719 CG LYS A 282 -6.877 -7.186 3.574 1.00 0.00 C ATOM 720 CD LYS A 282 -6.223 -6.801 4.893 1.00 0.00 C ATOM 721 CE LYS A 282 -7.258 -6.511 5.970 1.00 0.00 C ATOM 722 NZ LYS A 282 -8.131 -5.360 5.601 1.00 0.00 N ATOM 0 H LYS A 282 -4.216 -8.197 3.933 1.00 0.00 H new ATOM 0 HA LYS A 282 -5.706 -8.902 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 282 -5.271 -6.126 2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 282 -6.520 -6.649 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 282 -7.785 -6.601 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 282 -7.175 -8.234 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 282 -5.569 -7.608 5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 282 -5.595 -5.922 4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 282 -7.873 -7.397 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 282 -6.753 -6.297 6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 -8.458 -4.882 6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 -7.592 -4.689 5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 -8.952 -5.705 5.064 1.00 0.00 H new ATOM 736 N ARG A 283 -4.081 -8.007 -0.214 1.00 0.00 N ATOM 737 CA ARG A 283 -3.119 -7.502 -1.184 1.00 0.00 C ATOM 738 C ARG A 283 -3.833 -6.717 -2.275 1.00 0.00 C ATOM 739 O ARG A 283 -4.960 -7.044 -2.652 1.00 0.00 O ATOM 740 CB ARG A 283 -2.255 -8.619 -1.792 1.00 0.00 C ATOM 741 CG ARG A 283 -2.972 -9.540 -2.759 1.00 0.00 C ATOM 742 CD ARG A 283 -3.906 -10.483 -2.037 1.00 0.00 C ATOM 743 NE ARG A 283 -4.668 -11.303 -2.973 1.00 0.00 N ATOM 744 CZ ARG A 283 -5.042 -12.562 -2.743 1.00 0.00 C ATOM 745 NH1 ARG A 283 -4.725 -13.164 -1.599 1.00 0.00 N ATOM 746 NH2 ARG A 283 -5.726 -13.224 -3.667 1.00 0.00 N ATOM 0 H ARG A 283 -4.802 -8.617 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 283 -2.441 -6.836 -0.651 1.00 0.00 H new ATOM 0 HB2 ARG A 283 -1.411 -8.162 -2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 283 -1.844 -9.220 -0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 283 -3.537 -8.946 -3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 283 -2.240 -10.115 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 283 -3.331 -11.127 -1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 283 -4.591 -9.910 -1.412 1.00 0.00 H new ATOM 0 HE ARG A 283 -4.933 -10.884 -3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 283 -4.192 -12.662 -0.889 1.00 0.00 H new ATOM 0 HH12 ARG A 283 -5.016 -14.127 -1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 283 -5.964 -12.770 -4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 283 -6.014 -14.187 -3.496 1.00 0.00 H new ATOM 760 N GLY A 284 -3.177 -5.679 -2.764 1.00 0.00 N ATOM 761 CA GLY A 284 -3.775 -4.827 -3.772 1.00 0.00 C ATOM 762 C GLY A 284 -2.923 -3.608 -4.066 1.00 0.00 C ATOM 763 O GLY A 284 -2.130 -3.189 -3.228 1.00 0.00 O ATOM 0 H GLY A 284 -2.235 -5.408 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 284 -3.919 -5.398 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 284 -4.762 -4.507 -3.437 1.00 0.00 H new ATOM 767 N HIS A 285 -3.105 -3.014 -5.236 1.00 0.00 N ATOM 768 CA HIS A 285 -2.210 -1.952 -5.686 1.00 0.00 C ATOM 769 C HIS A 285 -2.786 -0.563 -5.419 1.00 0.00 C ATOM 770 O HIS A 285 -3.997 -0.367 -5.450 1.00 0.00 O ATOM 771 CB HIS A 285 -1.866 -2.104 -7.174 1.00 0.00 C ATOM 772 CG HIS A 285 -3.009 -1.895 -8.125 1.00 0.00 C ATOM 773 ND1 HIS A 285 -3.349 -0.655 -8.629 1.00 0.00 N ATOM 774 CD2 HIS A 285 -3.865 -2.774 -8.694 1.00 0.00 C ATOM 775 CE1 HIS A 285 -4.364 -0.784 -9.460 1.00 0.00 C ATOM 776 NE2 HIS A 285 -4.696 -2.059 -9.523 1.00 0.00 N ATOM 0 H HIS A 285 -3.856 -3.244 -5.887 1.00 0.00 H new ATOM 0 HA HIS A 285 -1.294 -2.051 -5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 285 -1.076 -1.395 -7.421 1.00 0.00 H new ATOM 0 HB3 HIS A 285 -1.460 -3.102 -7.335 1.00 0.00 H new ATOM 0 HD2 HIS A 285 -3.891 -3.841 -8.528 1.00 0.00 H new ATOM 0 HE1 HIS A 285 -4.844 0.020 -9.999 1.00 0.00 H new ATOM 0 HE2 HIS A 285 -5.446 -2.450 -10.093 1.00 0.00 H new ATOM 785 N PHE A 286 -1.894 0.393 -5.165 1.00 0.00 N ATOM 786 CA PHE A 286 -2.273 1.778 -4.891 1.00 0.00 C ATOM 787 C PHE A 286 -1.096 2.720 -5.161 1.00 0.00 C ATOM 788 O PHE A 286 0.055 2.279 -5.189 1.00 0.00 O ATOM 789 CB PHE A 286 -2.741 1.923 -3.439 1.00 0.00 C ATOM 790 CG PHE A 286 -4.230 1.798 -3.271 1.00 0.00 C ATOM 791 CD1 PHE A 286 -5.077 2.797 -3.723 1.00 0.00 C ATOM 792 CD2 PHE A 286 -4.780 0.688 -2.657 1.00 0.00 C ATOM 793 CE1 PHE A 286 -6.443 2.689 -3.567 1.00 0.00 C ATOM 794 CE2 PHE A 286 -6.144 0.575 -2.497 1.00 0.00 C ATOM 795 CZ PHE A 286 -6.978 1.575 -2.952 1.00 0.00 C ATOM 0 H PHE A 286 -0.888 0.229 -5.143 1.00 0.00 H new ATOM 0 HA PHE A 286 -3.094 2.048 -5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 286 -2.250 1.164 -2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 286 -2.421 2.893 -3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 286 -4.662 3.671 -4.203 1.00 0.00 H new ATOM 0 HD2 PHE A 286 -4.133 -0.099 -2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 286 -7.093 3.474 -3.925 1.00 0.00 H new ATOM 0 HE2 PHE A 286 -6.560 -0.297 -2.015 1.00 0.00 H new ATOM 0 HZ PHE A 286 -8.047 1.487 -2.827 1.00 0.00 H new ATOM 805 N PRO A 287 -1.372 4.027 -5.377 1.00 0.00 N ATOM 806 CA PRO A 287 -0.346 5.021 -5.693 1.00 0.00 C ATOM 807 C PRO A 287 0.267 5.692 -4.458 1.00 0.00 C ATOM 808 O PRO A 287 -0.248 5.591 -3.337 1.00 0.00 O ATOM 809 CB PRO A 287 -1.125 6.040 -6.521 1.00 0.00 C ATOM 810 CG PRO A 287 -2.508 6.011 -5.964 1.00 0.00 C ATOM 811 CD PRO A 287 -2.716 4.638 -5.369 1.00 0.00 C ATOM 0 HA PRO A 287 0.510 4.572 -6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 287 -0.687 7.034 -6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 287 -1.120 5.777 -7.579 1.00 0.00 H new ATOM 0 HG2 PRO A 287 -2.634 6.783 -5.205 1.00 0.00 H new ATOM 0 HG3 PRO A 287 -3.242 6.208 -6.745 1.00 0.00 H new ATOM 0 HD2 PRO A 287 -3.118 4.700 -4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 287 -3.422 4.053 -5.958 1.00 0.00 H new ATOM 819 N PHE A 288 1.359 6.408 -4.713 1.00 0.00 N ATOM 820 CA PHE A 288 2.215 7.004 -3.689 1.00 0.00 C ATOM 821 C PHE A 288 1.591 8.268 -3.086 1.00 0.00 C ATOM 822 O PHE A 288 1.934 8.669 -1.975 1.00 0.00 O ATOM 823 CB PHE A 288 3.542 7.352 -4.371 1.00 0.00 C ATOM 824 CG PHE A 288 4.715 7.602 -3.463 1.00 0.00 C ATOM 825 CD1 PHE A 288 4.893 8.824 -2.834 1.00 0.00 C ATOM 826 CD2 PHE A 288 5.663 6.614 -3.279 1.00 0.00 C ATOM 827 CE1 PHE A 288 5.994 9.050 -2.031 1.00 0.00 C ATOM 828 CE2 PHE A 288 6.770 6.833 -2.485 1.00 0.00 C ATOM 829 CZ PHE A 288 6.935 8.052 -1.856 1.00 0.00 C ATOM 0 H PHE A 288 1.682 6.595 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 288 2.353 6.301 -2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 288 3.802 6.539 -5.048 1.00 0.00 H new ATOM 0 HB3 PHE A 288 3.389 8.240 -4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 288 4.163 9.608 -2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 288 5.536 5.657 -3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 288 6.120 10.004 -1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 288 7.506 6.053 -2.355 1.00 0.00 H new ATOM 0 HZ PHE A 288 7.797 8.225 -1.229 1.00 0.00 H new ATOM 839 N THR A 289 0.646 8.855 -3.810 1.00 0.00 N ATOM 840 CA THR A 289 0.126 10.189 -3.500 1.00 0.00 C ATOM 841 C THR A 289 -0.555 10.294 -2.124 1.00 0.00 C ATOM 842 O THR A 289 -0.832 11.399 -1.661 1.00 0.00 O ATOM 843 CB THR A 289 -0.865 10.657 -4.594 1.00 0.00 C ATOM 844 OG1 THR A 289 -1.329 11.986 -4.315 1.00 0.00 O ATOM 845 CG2 THR A 289 -2.057 9.716 -4.692 1.00 0.00 C ATOM 0 H THR A 289 0.216 8.424 -4.628 1.00 0.00 H new ATOM 0 HA THR A 289 1.001 10.839 -3.471 1.00 0.00 H new ATOM 0 HB THR A 289 -0.334 10.651 -5.546 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.275 12.156 -3.351 1.00 0.00 H new ATOM 0 HG21 THR A 289 -2.736 10.069 -5.468 1.00 0.00 H new ATOM 0 HG22 THR A 289 -1.710 8.714 -4.942 1.00 0.00 H new ATOM 0 HG23 THR A 289 -2.580 9.691 -3.736 1.00 0.00 H new ATOM 853 N HIS A 290 -0.820 9.174 -1.462 1.00 0.00 N ATOM 854 CA HIS A 290 -1.535 9.221 -0.192 1.00 0.00 C ATOM 855 C HIS A 290 -0.935 8.278 0.847 1.00 0.00 C ATOM 856 O HIS A 290 -1.655 7.707 1.670 1.00 0.00 O ATOM 857 CB HIS A 290 -3.028 8.926 -0.405 1.00 0.00 C ATOM 858 CG HIS A 290 -3.343 7.631 -1.104 1.00 0.00 C ATOM 859 ND1 HIS A 290 -2.672 6.457 -1.160 1.00 0.00 N flip ATOM 860 CD2 HIS A 290 -4.484 7.446 -1.851 1.00 0.00 C flip ATOM 861 CE1 HIS A 290 -3.409 5.593 -1.936 1.00 0.00 C flip ATOM 862 NE2 HIS A 290 -4.504 6.222 -2.333 1.00 0.00 N flip ATOM 0 H HIS A 290 -0.557 8.240 -1.775 1.00 0.00 H new ATOM 0 HA HIS A 290 -1.429 10.232 0.202 1.00 0.00 H new ATOM 0 HB2 HIS A 290 -3.521 8.923 0.567 1.00 0.00 H new ATOM 0 HB3 HIS A 290 -3.463 9.743 -0.980 1.00 0.00 H new ATOM 0 HD2 HIS A 290 -5.247 8.192 -2.016 1.00 0.00 H new ATOM 0 HE1 HIS A 290 -3.140 4.576 -2.180 1.00 0.00 H new ATOM 0 HE2 HIS A 290 -5.241 5.824 -2.916 1.00 0.00 H new ATOM 871 N VAL A 291 0.379 8.107 0.812 1.00 0.00 N ATOM 872 CA VAL A 291 1.056 7.267 1.793 1.00 0.00 C ATOM 873 C VAL A 291 2.376 7.890 2.235 1.00 0.00 C ATOM 874 O VAL A 291 2.984 8.670 1.501 1.00 0.00 O ATOM 875 CB VAL A 291 1.341 5.841 1.254 1.00 0.00 C ATOM 876 CG1 VAL A 291 0.056 5.113 0.888 1.00 0.00 C ATOM 877 CG2 VAL A 291 2.285 5.890 0.061 1.00 0.00 C ATOM 0 H VAL A 291 0.995 8.535 0.121 1.00 0.00 H new ATOM 0 HA VAL A 291 0.376 7.191 2.642 1.00 0.00 H new ATOM 0 HB VAL A 291 1.824 5.281 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 291 0.296 4.118 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -0.577 5.026 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -0.472 5.673 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.469 4.878 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.834 6.482 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 291 3.228 6.346 0.362 1.00 0.00 H new ATOM 887 N ARG A 292 2.792 7.559 3.448 1.00 0.00 N ATOM 888 CA ARG A 292 4.125 7.882 3.932 1.00 0.00 C ATOM 889 C ARG A 292 4.818 6.584 4.301 1.00 0.00 C ATOM 890 O ARG A 292 4.487 5.954 5.300 1.00 0.00 O ATOM 891 CB ARG A 292 4.063 8.804 5.153 1.00 0.00 C ATOM 892 CG ARG A 292 3.536 10.196 4.850 1.00 0.00 C ATOM 893 CD ARG A 292 4.378 10.893 3.794 1.00 0.00 C ATOM 894 NE ARG A 292 5.802 10.900 4.137 1.00 0.00 N ATOM 895 CZ ARG A 292 6.740 11.498 3.405 1.00 0.00 C ATOM 896 NH1 ARG A 292 6.402 12.195 2.327 1.00 0.00 N ATOM 897 NH2 ARG A 292 8.013 11.409 3.764 1.00 0.00 N ATOM 0 H ARG A 292 2.215 7.059 4.124 1.00 0.00 H new ATOM 0 HA ARG A 292 4.676 8.406 3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 292 3.429 8.344 5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 292 5.062 8.890 5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 292 2.503 10.129 4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 292 3.531 10.791 5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 292 4.240 10.395 2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 292 4.030 11.919 3.673 1.00 0.00 H new ATOM 0 HE ARG A 292 6.093 10.418 4.988 1.00 0.00 H new ATOM 0 HH11 ARG A 292 5.421 12.274 2.057 1.00 0.00 H new ATOM 0 HH12 ARG A 292 7.123 12.652 1.768 1.00 0.00 H new ATOM 0 HH21 ARG A 292 8.272 10.883 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 292 8.734 11.866 3.205 1.00 0.00 H new ATOM 911 N LEU A 293 5.781 6.182 3.501 1.00 0.00 N ATOM 912 CA LEU A 293 6.352 4.867 3.638 1.00 0.00 C ATOM 913 C LEU A 293 7.688 4.858 4.351 1.00 0.00 C ATOM 914 O LEU A 293 8.541 5.726 4.153 1.00 0.00 O ATOM 915 CB LEU A 293 6.500 4.200 2.275 1.00 0.00 C ATOM 916 CG LEU A 293 6.925 5.104 1.119 1.00 0.00 C ATOM 917 CD1 LEU A 293 8.095 4.492 0.367 1.00 0.00 C ATOM 918 CD2 LEU A 293 5.750 5.326 0.182 1.00 0.00 C ATOM 0 H LEU A 293 6.182 6.747 2.752 1.00 0.00 H new ATOM 0 HA LEU A 293 5.654 4.305 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 293 7.230 3.396 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 293 5.547 3.738 2.015 1.00 0.00 H new ATOM 0 HG LEU A 293 7.244 6.065 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 293 8.384 5.149 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 293 8.938 4.366 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 293 7.803 3.521 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 293 6.058 5.971 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 293 5.415 4.368 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 293 4.934 5.799 0.728 1.00 0.00 H new ATOM 930 N LEU A 294 7.829 3.849 5.184 1.00 0.00 N ATOM 931 CA LEU A 294 9.079 3.459 5.760 1.00 0.00 C ATOM 932 C LEU A 294 9.856 2.710 4.694 1.00 0.00 C ATOM 933 O LEU A 294 9.339 1.783 4.057 1.00 0.00 O ATOM 934 CB LEU A 294 8.847 2.556 6.973 1.00 0.00 C ATOM 935 CG LEU A 294 8.043 3.177 8.116 1.00 0.00 C ATOM 936 CD1 LEU A 294 6.569 3.264 7.780 1.00 0.00 C ATOM 937 CD2 LEU A 294 8.260 2.395 9.402 1.00 0.00 C ATOM 0 H LEU A 294 7.047 3.266 5.482 1.00 0.00 H new ATOM 0 HA LEU A 294 9.633 4.335 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 294 8.333 1.655 6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 294 9.816 2.245 7.362 1.00 0.00 H new ATOM 0 HG LEU A 294 8.403 4.195 8.262 1.00 0.00 H new ATOM 0 HD11 LEU A 294 6.031 3.710 8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 294 6.434 3.880 6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 294 6.179 2.264 7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 294 7.681 2.849 10.206 1.00 0.00 H new ATOM 0 HD22 LEU A 294 7.936 1.364 9.260 1.00 0.00 H new ATOM 0 HD23 LEU A 294 9.318 2.411 9.663 1.00 0.00 H new