USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 532 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 20 GLN : amide:sc= -0.21 K(o=-2.1,f=-3.3!) USER MOD Set 1.2: A 77 GLN :FLIP amide:sc= -0.993 F(o=-2.7,f=-2.1) USER MOD Set 1.3: A 80 CYS SG : rot -170:sc= -0.865 USER MOD Single : A 18 THR OG1 : rot 26:sc= -1.79! USER MOD Single : A 23 MET CE :methyl -162:sc= -0.0834 (180deg=-0.847) USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 1.07 (180deg=1.02) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc=-0.00815 (180deg=-0.102) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 1.73 (180deg=1.06) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.667 F(o=-3.1!,f=-0.67) USER MOD Single : A 44 GLN : amide:sc= -0.0817 K(o=-0.082,f=-1.7) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= -0.0226 (180deg=-0.23) USER MOD Single : A 51 MET CE :methyl 161:sc= -3.67! (180deg=-3.98!) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.296 F(o=-2,f=-0.3) USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= -0.542 (180deg=-0.77) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0.719 (180deg=0.716) USER MOD Single : A 78 GLN : amide:sc= -0.0069 X(o=-0.0069,f=0) USER MOD Single : A 82 MET CE :methyl -126:sc= -1.22 (180deg=-3.76!) USER MOD Single : A 84 MET CE :methyl 167:sc= -0.0447 (180deg=-0.313) USER MOD ----------------------------------------------------------------- ATOM 165 N THR A 18 -3.173 -8.652 -2.703 1.00 0.00 N ATOM 166 CA THR A 18 -4.296 -7.732 -2.726 1.00 0.00 C ATOM 167 C THR A 18 -3.816 -6.326 -3.068 1.00 0.00 C ATOM 168 O THR A 18 -2.873 -5.822 -2.458 1.00 0.00 O ATOM 169 CB THR A 18 -5.035 -7.736 -1.374 1.00 0.00 C ATOM 170 OG1 THR A 18 -5.530 -9.057 -1.115 1.00 0.00 O ATOM 171 CG2 THR A 18 -6.193 -6.742 -1.364 1.00 0.00 C ATOM 0 HA THR A 18 -4.995 -8.061 -3.495 1.00 0.00 H new ATOM 0 HB THR A 18 -4.332 -7.435 -0.597 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.979 -9.712 -1.592 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.691 -6.773 -0.395 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.811 -5.737 -1.544 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.905 -7.005 -2.146 1.00 0.00 H new ATOM 179 N VAL A 19 -4.446 -5.712 -4.068 1.00 0.00 N ATOM 180 CA VAL A 19 -4.066 -4.379 -4.515 1.00 0.00 C ATOM 181 C VAL A 19 -5.170 -3.378 -4.213 1.00 0.00 C ATOM 182 O VAL A 19 -6.330 -3.595 -4.567 1.00 0.00 O ATOM 183 CB VAL A 19 -3.763 -4.349 -6.030 1.00 0.00 C ATOM 184 CG1 VAL A 19 -3.385 -2.948 -6.484 1.00 0.00 C ATOM 185 CG2 VAL A 19 -2.662 -5.333 -6.375 1.00 0.00 C ATOM 0 H VAL A 19 -5.225 -6.121 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.161 -4.107 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.669 -4.644 -6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.177 -2.956 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.209 -2.265 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.497 -2.618 -5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.464 -5.296 -7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.756 -5.071 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.974 -6.340 -6.098 1.00 0.00 H new ATOM 195 N GLN A 20 -4.807 -2.300 -3.542 1.00 0.00 N ATOM 196 CA GLN A 20 -5.739 -1.228 -3.241 1.00 0.00 C ATOM 197 C GLN A 20 -5.351 0.018 -4.030 1.00 0.00 C ATOM 198 O GLN A 20 -4.298 0.602 -3.782 1.00 0.00 O ATOM 199 CB GLN A 20 -5.686 -0.927 -1.744 1.00 0.00 C ATOM 200 CG GLN A 20 -6.949 -0.298 -1.191 1.00 0.00 C ATOM 201 CD GLN A 20 -8.080 -1.295 -1.036 1.00 0.00 C ATOM 202 OE1 GLN A 20 -7.858 -2.492 -0.844 1.00 0.00 O ATOM 203 NE2 GLN A 20 -9.302 -0.807 -1.102 1.00 0.00 N ATOM 0 H GLN A 20 -3.862 -2.143 -3.192 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.750 -1.527 -3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.489 -1.854 -1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.846 -0.260 -1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.732 0.152 -0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.268 0.507 -1.852 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.445 0.190 -1.262 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.105 -1.426 -0.993 1.00 0.00 H new ATOM 212 N GLU A 21 -6.185 0.416 -4.982 1.00 0.00 N ATOM 213 CA GLU A 21 -5.901 1.608 -5.776 1.00 0.00 C ATOM 214 C GLU A 21 -6.651 2.831 -5.270 1.00 0.00 C ATOM 215 O GLU A 21 -7.880 2.864 -5.247 1.00 0.00 O ATOM 216 CB GLU A 21 -6.205 1.384 -7.255 1.00 0.00 C ATOM 217 CG GLU A 21 -4.989 0.935 -8.041 1.00 0.00 C ATOM 218 CD GLU A 21 -5.205 0.961 -9.536 1.00 0.00 C ATOM 219 OE1 GLU A 21 -5.459 2.050 -10.086 1.00 0.00 O ATOM 220 OE2 GLU A 21 -5.093 -0.104 -10.173 1.00 0.00 O ATOM 0 H GLU A 21 -7.054 -0.061 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.834 1.800 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.991 0.635 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.591 2.308 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.145 1.578 -7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.721 -0.077 -7.737 1.00 0.00 H new ATOM 227 N ILE A 22 -5.886 3.838 -4.875 1.00 0.00 N ATOM 228 CA ILE A 22 -6.435 5.102 -4.409 1.00 0.00 C ATOM 229 C ILE A 22 -6.053 6.211 -5.383 1.00 0.00 C ATOM 230 O ILE A 22 -5.013 6.134 -6.037 1.00 0.00 O ATOM 231 CB ILE A 22 -5.890 5.485 -3.011 1.00 0.00 C ATOM 232 CG1 ILE A 22 -5.811 4.260 -2.090 1.00 0.00 C ATOM 233 CG2 ILE A 22 -6.765 6.558 -2.373 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.152 3.619 -1.796 1.00 0.00 C ATOM 0 H ILE A 22 -4.867 3.801 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.517 4.985 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.882 5.879 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.158 3.517 -2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.348 4.556 -1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.368 6.815 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.772 7.446 -3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.782 6.181 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.009 2.761 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.803 4.345 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.610 3.289 -2.729 1.00 0.00 H new ATOM 246 N MET A 23 -6.894 7.227 -5.484 1.00 0.00 N ATOM 247 CA MET A 23 -6.569 8.411 -6.261 1.00 0.00 C ATOM 248 C MET A 23 -6.377 9.587 -5.322 1.00 0.00 C ATOM 249 O MET A 23 -7.342 10.136 -4.791 1.00 0.00 O ATOM 250 CB MET A 23 -7.668 8.723 -7.274 1.00 0.00 C ATOM 251 CG MET A 23 -7.905 7.606 -8.274 1.00 0.00 C ATOM 252 SD MET A 23 -6.428 7.193 -9.229 1.00 0.00 S ATOM 253 CE MET A 23 -6.089 8.760 -10.030 1.00 0.00 C ATOM 0 H MET A 23 -7.810 7.255 -5.036 1.00 0.00 H new ATOM 0 HA MET A 23 -5.648 8.225 -6.814 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.597 8.925 -6.740 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.406 9.633 -7.813 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.249 6.718 -7.744 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.703 7.899 -8.956 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.425 8.598 -10.879 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.023 9.200 -10.379 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.612 9.436 -9.320 1.00 0.00 H new ATOM 263 N ILE A 24 -5.133 9.953 -5.099 1.00 0.00 N ATOM 264 CA ILE A 24 -4.814 10.968 -4.111 1.00 0.00 C ATOM 265 C ILE A 24 -4.935 12.366 -4.707 1.00 0.00 C ATOM 266 O ILE A 24 -4.320 12.655 -5.727 1.00 0.00 O ATOM 267 CB ILE A 24 -3.382 10.796 -3.563 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.045 9.313 -3.347 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.236 11.574 -2.265 1.00 0.00 C ATOM 270 CD1 ILE A 24 -3.967 8.605 -2.382 1.00 0.00 C ATOM 0 H ILE A 24 -4.325 9.565 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.529 10.847 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.678 11.189 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.079 8.800 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.022 9.234 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.224 11.451 -1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.428 12.631 -2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.951 11.198 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.662 7.563 -2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.916 9.090 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.990 8.650 -2.757 1.00 0.00 H new ATOM 282 N PRO A 25 -5.737 13.245 -4.077 1.00 0.00 N ATOM 283 CA PRO A 25 -5.882 14.638 -4.505 1.00 0.00 C ATOM 284 C PRO A 25 -4.535 15.329 -4.701 1.00 0.00 C ATOM 285 O PRO A 25 -3.617 15.135 -3.903 1.00 0.00 O ATOM 286 CB PRO A 25 -6.645 15.283 -3.349 1.00 0.00 C ATOM 287 CG PRO A 25 -7.430 14.169 -2.753 1.00 0.00 C ATOM 288 CD PRO A 25 -6.586 12.936 -2.915 1.00 0.00 C ATOM 0 HA PRO A 25 -6.386 14.718 -5.468 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.964 15.723 -2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.296 16.083 -3.701 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.643 14.361 -1.701 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.390 14.054 -3.257 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.989 12.739 -2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.198 12.052 -3.090 1.00 0.00 H new ATOM 296 N ALA A 26 -4.435 16.126 -5.764 1.00 0.00 N ATOM 297 CA ALA A 26 -3.182 16.761 -6.179 1.00 0.00 C ATOM 298 C ALA A 26 -2.373 17.327 -5.009 1.00 0.00 C ATOM 299 O ALA A 26 -1.219 16.940 -4.808 1.00 0.00 O ATOM 300 CB ALA A 26 -3.467 17.862 -7.192 1.00 0.00 C ATOM 0 H ALA A 26 -5.226 16.352 -6.367 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.572 15.979 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.530 18.329 -7.495 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.959 17.434 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.117 18.612 -6.741 1.00 0.00 H new ATOM 306 N GLY A 27 -2.978 18.219 -4.233 1.00 0.00 N ATOM 307 CA GLY A 27 -2.249 18.896 -3.174 1.00 0.00 C ATOM 308 C GLY A 27 -2.307 18.161 -1.849 1.00 0.00 C ATOM 309 O GLY A 27 -1.403 18.288 -1.020 1.00 0.00 O ATOM 0 H GLY A 27 -3.959 18.486 -4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.207 19.011 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.656 19.899 -3.045 1.00 0.00 H new ATOM 313 N LYS A 28 -3.364 17.386 -1.639 1.00 0.00 N ATOM 314 CA LYS A 28 -3.511 16.634 -0.400 1.00 0.00 C ATOM 315 C LYS A 28 -2.644 15.377 -0.442 1.00 0.00 C ATOM 316 O LYS A 28 -2.534 14.645 0.542 1.00 0.00 O ATOM 317 CB LYS A 28 -4.980 16.285 -0.151 1.00 0.00 C ATOM 318 CG LYS A 28 -5.284 15.994 1.311 1.00 0.00 C ATOM 319 CD LYS A 28 -6.757 15.744 1.554 1.00 0.00 C ATOM 320 CE LYS A 28 -7.047 15.478 3.025 1.00 0.00 C ATOM 321 NZ LYS A 28 -6.828 16.674 3.884 1.00 0.00 N ATOM 0 H LYS A 28 -4.126 17.262 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.173 17.254 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.606 17.111 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.248 15.416 -0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.712 15.123 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.955 16.834 1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.333 16.607 1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.085 14.892 0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.079 15.144 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.411 14.665 3.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.073 16.444 4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.829 16.960 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.429 17.455 3.551 1.00 0.00 H new ATOM 335 N ALA A 29 -2.013 15.152 -1.591 1.00 0.00 N ATOM 336 CA ALA A 29 -1.063 14.058 -1.757 1.00 0.00 C ATOM 337 C ALA A 29 0.142 14.250 -0.846 1.00 0.00 C ATOM 338 O ALA A 29 0.823 13.289 -0.497 1.00 0.00 O ATOM 339 CB ALA A 29 -0.617 13.956 -3.211 1.00 0.00 C ATOM 0 H ALA A 29 -2.145 15.720 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.560 13.128 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.092 13.135 -3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.484 13.772 -3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.139 14.889 -3.511 1.00 0.00 H new ATOM 345 N GLY A 30 0.385 15.497 -0.449 1.00 0.00 N ATOM 346 CA GLY A 30 1.484 15.796 0.450 1.00 0.00 C ATOM 347 C GLY A 30 1.371 15.043 1.760 1.00 0.00 C ATOM 348 O GLY A 30 2.374 14.775 2.421 1.00 0.00 O ATOM 0 H GLY A 30 -0.163 16.308 -0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.427 15.541 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.507 16.867 0.649 1.00 0.00 H new ATOM 352 N LEU A 31 0.147 14.688 2.126 1.00 0.00 N ATOM 353 CA LEU A 31 -0.101 13.950 3.355 1.00 0.00 C ATOM 354 C LEU A 31 0.285 12.484 3.195 1.00 0.00 C ATOM 355 O LEU A 31 0.946 11.909 4.059 1.00 0.00 O ATOM 356 CB LEU A 31 -1.576 14.044 3.746 1.00 0.00 C ATOM 357 CG LEU A 31 -2.130 15.460 3.896 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.575 15.414 4.363 1.00 0.00 C ATOM 359 CD2 LEU A 31 -1.290 16.261 4.870 1.00 0.00 C ATOM 0 H LEU A 31 -0.692 14.901 1.586 1.00 0.00 H new ATOM 0 HA LEU A 31 0.511 14.394 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.167 13.520 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.718 13.516 4.689 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.091 15.949 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.957 16.430 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.176 14.872 3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.630 14.907 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.701 17.266 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.299 15.773 5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.265 16.320 4.504 1.00 0.00 H new ATOM 371 N VAL A 32 -0.129 11.893 2.079 1.00 0.00 N ATOM 372 CA VAL A 32 0.112 10.489 1.811 1.00 0.00 C ATOM 373 C VAL A 32 1.585 10.238 1.493 1.00 0.00 C ATOM 374 O VAL A 32 2.131 9.181 1.806 1.00 0.00 O ATOM 375 CB VAL A 32 -0.788 10.011 0.651 1.00 0.00 C ATOM 376 CG1 VAL A 32 -0.170 10.285 -0.709 1.00 0.00 C ATOM 377 CG2 VAL A 32 -1.131 8.550 0.814 1.00 0.00 C ATOM 0 H VAL A 32 -0.639 12.376 1.340 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.136 9.918 2.705 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.711 10.589 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.841 9.931 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.009 11.357 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.785 9.764 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.766 8.231 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.215 7.959 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.660 8.403 1.755 1.00 0.00 H new ATOM 387 N ILE A 33 2.223 11.223 0.876 1.00 0.00 N ATOM 388 CA ILE A 33 3.646 11.137 0.582 1.00 0.00 C ATOM 389 C ILE A 33 4.451 11.432 1.841 1.00 0.00 C ATOM 390 O ILE A 33 5.438 10.762 2.152 1.00 0.00 O ATOM 391 CB ILE A 33 4.062 12.116 -0.540 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.251 11.842 -1.810 1.00 0.00 C ATOM 393 CG2 ILE A 33 5.553 11.995 -0.827 1.00 0.00 C ATOM 394 CD1 ILE A 33 3.489 12.850 -2.914 1.00 0.00 C ATOM 0 H ILE A 33 1.779 12.089 0.570 1.00 0.00 H new ATOM 0 HA ILE A 33 3.852 10.124 0.236 1.00 0.00 H new ATOM 0 HB ILE A 33 3.856 13.133 -0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.497 10.847 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.190 11.835 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.829 12.691 -1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.117 12.230 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.781 10.977 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.881 12.591 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.215 13.845 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.542 12.841 -3.194 1.00 0.00 H new ATOM 406 N GLY A 34 4.006 12.438 2.572 1.00 0.00 N ATOM 407 CA GLY A 34 4.616 12.763 3.836 1.00 0.00 C ATOM 408 C GLY A 34 5.550 13.939 3.752 1.00 0.00 C ATOM 409 O GLY A 34 6.704 13.844 4.172 1.00 0.00 O ATOM 0 H GLY A 34 3.226 13.039 2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.835 12.977 4.566 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.165 11.895 4.202 1.00 0.00 H new ATOM 413 N LYS A 35 5.046 15.031 3.186 1.00 0.00 N ATOM 414 CA LYS A 35 5.757 16.307 3.137 1.00 0.00 C ATOM 415 C LYS A 35 7.178 16.149 2.598 1.00 0.00 C ATOM 416 O LYS A 35 8.118 16.769 3.099 1.00 0.00 O ATOM 417 CB LYS A 35 5.781 16.970 4.524 1.00 0.00 C ATOM 418 CG LYS A 35 4.431 17.512 4.989 1.00 0.00 C ATOM 419 CD LYS A 35 3.464 16.408 5.383 1.00 0.00 C ATOM 420 CE LYS A 35 2.081 16.958 5.693 1.00 0.00 C ATOM 421 NZ LYS A 35 2.103 17.957 6.794 1.00 0.00 N ATOM 0 H LYS A 35 4.127 15.057 2.745 1.00 0.00 H new ATOM 0 HA LYS A 35 5.214 16.952 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.138 16.244 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.501 17.788 4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.584 18.177 5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.989 18.110 4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.394 15.680 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.850 15.880 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.667 17.419 4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.418 16.136 5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.128 18.202 7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.596 17.556 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.600 18.813 6.476 1.00 0.00 H new ATOM 435 N GLY A 36 7.333 15.318 1.578 1.00 0.00 N ATOM 436 CA GLY A 36 8.640 15.106 0.990 1.00 0.00 C ATOM 437 C GLY A 36 8.930 13.640 0.773 1.00 0.00 C ATOM 438 O GLY A 36 9.697 13.274 -0.117 1.00 0.00 O ATOM 0 H GLY A 36 6.577 14.786 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.699 15.632 0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.404 15.535 1.639 1.00 0.00 H new ATOM 442 N GLY A 37 8.312 12.799 1.585 1.00 0.00 N ATOM 443 CA GLY A 37 8.501 11.370 1.435 1.00 0.00 C ATOM 444 C GLY A 37 8.861 10.678 2.736 1.00 0.00 C ATOM 445 O GLY A 37 9.448 9.597 2.732 1.00 0.00 O ATOM 0 H GLY A 37 7.686 13.076 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.588 10.929 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.289 11.188 0.704 1.00 0.00 H new ATOM 449 N GLU A 38 8.522 11.293 3.855 1.00 0.00 N ATOM 450 CA GLU A 38 8.801 10.692 5.149 1.00 0.00 C ATOM 451 C GLU A 38 7.692 9.721 5.525 1.00 0.00 C ATOM 452 O GLU A 38 7.945 8.552 5.811 1.00 0.00 O ATOM 453 CB GLU A 38 8.935 11.776 6.217 1.00 0.00 C ATOM 454 CG GLU A 38 9.643 11.302 7.473 1.00 0.00 C ATOM 455 CD GLU A 38 11.118 11.062 7.243 1.00 0.00 C ATOM 456 OE1 GLU A 38 11.464 10.085 6.557 1.00 0.00 O ATOM 457 OE2 GLU A 38 11.938 11.868 7.738 1.00 0.00 O ATOM 0 H GLU A 38 8.057 12.200 3.896 1.00 0.00 H new ATOM 0 HA GLU A 38 9.742 10.145 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.481 12.622 5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.942 12.138 6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.516 12.044 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.178 10.381 7.824 1.00 0.00 H new ATOM 464 N THR A 39 6.463 10.220 5.502 1.00 0.00 N ATOM 465 CA THR A 39 5.291 9.429 5.847 1.00 0.00 C ATOM 466 C THR A 39 5.184 8.169 4.990 1.00 0.00 C ATOM 467 O THR A 39 4.938 7.088 5.517 1.00 0.00 O ATOM 468 CB THR A 39 4.008 10.273 5.704 1.00 0.00 C ATOM 469 OG1 THR A 39 4.118 11.451 6.520 1.00 0.00 O ATOM 470 CG2 THR A 39 2.770 9.486 6.109 1.00 0.00 C ATOM 0 H THR A 39 6.252 11.184 5.244 1.00 0.00 H new ATOM 0 HA THR A 39 5.404 9.119 6.886 1.00 0.00 H new ATOM 0 HB THR A 39 3.901 10.550 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.304 11.989 6.429 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.886 10.114 5.995 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.674 8.606 5.473 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.861 9.174 7.149 1.00 0.00 H new ATOM 478 N ILE A 40 5.401 8.297 3.680 1.00 0.00 N ATOM 479 CA ILE A 40 5.286 7.148 2.775 1.00 0.00 C ATOM 480 C ILE A 40 6.242 6.017 3.174 1.00 0.00 C ATOM 481 O ILE A 40 5.886 4.838 3.099 1.00 0.00 O ATOM 482 CB ILE A 40 5.530 7.546 1.299 1.00 0.00 C ATOM 483 CG1 ILE A 40 5.372 6.330 0.380 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.905 8.176 1.119 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.632 6.631 -1.081 1.00 0.00 C ATOM 0 H ILE A 40 5.655 9.173 3.224 1.00 0.00 H new ATOM 0 HA ILE A 40 4.262 6.787 2.866 1.00 0.00 H new ATOM 0 HB ILE A 40 4.781 8.289 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.056 5.547 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.362 5.935 0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.048 8.445 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.979 9.071 1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.674 7.464 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.501 5.722 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.931 7.391 -1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.652 6.997 -1.201 1.00 0.00 H new ATOM 497 N LYS A 41 7.442 6.375 3.622 1.00 0.00 N ATOM 498 CA LYS A 41 8.411 5.381 4.068 1.00 0.00 C ATOM 499 C LYS A 41 7.907 4.683 5.324 1.00 0.00 C ATOM 500 O LYS A 41 8.061 3.473 5.490 1.00 0.00 O ATOM 501 CB LYS A 41 9.775 6.027 4.335 1.00 0.00 C ATOM 502 CG LYS A 41 10.479 6.521 3.079 1.00 0.00 C ATOM 503 CD LYS A 41 11.966 6.741 3.324 1.00 0.00 C ATOM 504 CE LYS A 41 12.214 7.699 4.477 1.00 0.00 C ATOM 505 NZ LYS A 41 11.799 9.089 4.154 1.00 0.00 N ATOM 0 H LYS A 41 7.765 7.341 3.685 1.00 0.00 H new ATOM 0 HA LYS A 41 8.532 4.643 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.642 6.865 5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.416 5.304 4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.345 5.796 2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.022 7.453 2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.444 5.785 3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.429 7.134 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.670 7.355 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.273 7.689 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.860 9.677 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.427 9.478 3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.820 9.086 3.804 1.00 0.00 H new ATOM 519 N GLN A 42 7.280 5.459 6.194 1.00 0.00 N ATOM 520 CA GLN A 42 6.718 4.942 7.426 1.00 0.00 C ATOM 521 C GLN A 42 5.568 3.996 7.124 1.00 0.00 C ATOM 522 O GLN A 42 5.490 2.904 7.678 1.00 0.00 O ATOM 523 CB GLN A 42 6.217 6.103 8.284 1.00 0.00 C ATOM 524 CG GLN A 42 7.277 7.154 8.549 1.00 0.00 C ATOM 525 CD GLN A 42 6.759 8.321 9.365 1.00 0.00 C ATOM 526 OE1 GLN A 42 7.336 9.488 9.149 1.00 0.00 O flip ATOM 527 NE2 GLN A 42 5.845 8.174 10.175 1.00 0.00 N flip ATOM 0 H GLN A 42 7.148 6.462 6.064 1.00 0.00 H new ATOM 0 HA GLN A 42 7.491 4.395 7.966 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.367 6.571 7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.856 5.713 9.236 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.115 6.694 9.073 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.661 7.524 7.598 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.427 7.254 10.311 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.505 8.973 10.711 1.00 0.00 H new ATOM 536 N LEU A 43 4.697 4.428 6.221 1.00 0.00 N ATOM 537 CA LEU A 43 3.485 3.692 5.879 1.00 0.00 C ATOM 538 C LEU A 43 3.783 2.252 5.487 1.00 0.00 C ATOM 539 O LEU A 43 3.133 1.323 5.963 1.00 0.00 O ATOM 540 CB LEU A 43 2.751 4.395 4.740 1.00 0.00 C ATOM 541 CG LEU A 43 2.309 5.827 5.039 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.619 6.435 3.834 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.391 5.858 6.253 1.00 0.00 C ATOM 0 H LEU A 43 4.811 5.300 5.704 1.00 0.00 H new ATOM 0 HA LEU A 43 2.854 3.670 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.399 4.407 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.871 3.807 4.478 1.00 0.00 H new ATOM 0 HG LEU A 43 3.195 6.421 5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.312 7.455 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.307 6.447 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.741 5.841 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.086 6.885 6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.509 5.248 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.921 5.463 7.120 1.00 0.00 H new ATOM 555 N GLN A 44 4.777 2.074 4.633 1.00 0.00 N ATOM 556 CA GLN A 44 5.125 0.752 4.134 1.00 0.00 C ATOM 557 C GLN A 44 5.623 -0.156 5.256 1.00 0.00 C ATOM 558 O GLN A 44 5.224 -1.315 5.353 1.00 0.00 O ATOM 559 CB GLN A 44 6.185 0.866 3.042 1.00 0.00 C ATOM 560 CG GLN A 44 5.704 1.635 1.823 1.00 0.00 C ATOM 561 CD GLN A 44 6.698 1.615 0.684 1.00 0.00 C ATOM 562 OE1 GLN A 44 6.682 0.710 -0.152 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.561 2.615 0.636 1.00 0.00 N ATOM 0 H GLN A 44 5.359 2.829 4.270 1.00 0.00 H new ATOM 0 HA GLN A 44 4.223 0.304 3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.067 1.359 3.450 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.492 -0.134 2.736 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.760 1.211 1.482 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.505 2.668 2.107 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.538 3.343 1.350 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.250 2.659 -0.115 1.00 0.00 H new ATOM 572 N GLU A 45 6.465 0.383 6.120 1.00 0.00 N ATOM 573 CA GLU A 45 7.102 -0.415 7.157 1.00 0.00 C ATOM 574 C GLU A 45 6.184 -0.632 8.359 1.00 0.00 C ATOM 575 O GLU A 45 6.203 -1.702 8.968 1.00 0.00 O ATOM 576 CB GLU A 45 8.403 0.248 7.600 1.00 0.00 C ATOM 577 CG GLU A 45 9.411 0.407 6.472 1.00 0.00 C ATOM 578 CD GLU A 45 9.846 -0.920 5.885 1.00 0.00 C ATOM 579 OE1 GLU A 45 9.144 -1.453 4.996 1.00 0.00 O ATOM 580 OE2 GLU A 45 10.898 -1.439 6.303 1.00 0.00 O ATOM 0 H GLU A 45 6.725 1.369 6.126 1.00 0.00 H new ATOM 0 HA GLU A 45 7.319 -1.395 6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.179 1.229 8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.851 -0.344 8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.975 1.022 5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.286 0.939 6.845 1.00 0.00 H new ATOM 587 N ARG A 46 5.376 0.374 8.692 1.00 0.00 N ATOM 588 CA ARG A 46 4.507 0.300 9.869 1.00 0.00 C ATOM 589 C ARG A 46 3.421 -0.762 9.697 1.00 0.00 C ATOM 590 O ARG A 46 3.042 -1.436 10.656 1.00 0.00 O ATOM 591 CB ARG A 46 3.868 1.666 10.171 1.00 0.00 C ATOM 592 CG ARG A 46 2.910 2.159 9.098 1.00 0.00 C ATOM 593 CD ARG A 46 2.421 3.573 9.379 1.00 0.00 C ATOM 594 NE ARG A 46 1.481 3.633 10.494 1.00 0.00 N ATOM 595 CZ ARG A 46 0.738 4.701 10.784 1.00 0.00 C ATOM 596 NH1 ARG A 46 0.875 5.824 10.083 1.00 0.00 N ATOM 597 NH2 ARG A 46 -0.138 4.648 11.776 1.00 0.00 N ATOM 0 H ARG A 46 5.304 1.246 8.168 1.00 0.00 H new ATOM 0 HA ARG A 46 5.133 0.013 10.714 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.333 1.602 11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.660 2.404 10.302 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.407 2.133 8.128 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.056 1.485 9.037 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.277 4.213 9.596 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.943 3.972 8.484 1.00 0.00 H new ATOM 0 HE ARG A 46 1.387 2.808 11.087 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.551 5.870 9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.304 6.639 10.308 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.244 3.790 12.318 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.707 5.465 11.998 1.00 0.00 H new ATOM 611 N ALA A 47 2.932 -0.916 8.475 1.00 0.00 N ATOM 612 CA ALA A 47 1.852 -1.854 8.208 1.00 0.00 C ATOM 613 C ALA A 47 2.374 -3.153 7.605 1.00 0.00 C ATOM 614 O ALA A 47 1.653 -4.146 7.524 1.00 0.00 O ATOM 615 CB ALA A 47 0.815 -1.226 7.289 1.00 0.00 C ATOM 0 H ALA A 47 3.264 -0.406 7.656 1.00 0.00 H new ATOM 0 HA ALA A 47 1.381 -2.094 9.161 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.015 -1.942 7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.401 -0.336 7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.285 -0.950 6.345 1.00 0.00 H new ATOM 621 N GLY A 48 3.635 -3.142 7.191 1.00 0.00 N ATOM 622 CA GLY A 48 4.220 -4.309 6.563 1.00 0.00 C ATOM 623 C GLY A 48 3.672 -4.537 5.170 1.00 0.00 C ATOM 624 O GLY A 48 3.449 -5.675 4.757 1.00 0.00 O ATOM 0 H GLY A 48 4.263 -2.343 7.280 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.302 -4.189 6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.025 -5.188 7.178 1.00 0.00 H new ATOM 628 N VAL A 49 3.450 -3.446 4.450 1.00 0.00 N ATOM 629 CA VAL A 49 2.880 -3.499 3.110 1.00 0.00 C ATOM 630 C VAL A 49 3.735 -2.698 2.146 1.00 0.00 C ATOM 631 O VAL A 49 4.734 -2.096 2.541 1.00 0.00 O ATOM 632 CB VAL A 49 1.443 -2.929 3.069 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.491 -3.796 3.868 1.00 0.00 C ATOM 634 CG2 VAL A 49 1.413 -1.491 3.574 1.00 0.00 C ATOM 0 H VAL A 49 3.659 -2.502 4.776 1.00 0.00 H new ATOM 0 HA VAL A 49 2.851 -4.549 2.820 1.00 0.00 H new ATOM 0 HB VAL A 49 1.113 -2.932 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.512 -3.372 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.479 -4.803 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.821 -3.837 4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.391 -1.113 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.773 -1.459 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.053 -0.871 2.946 1.00 0.00 H new ATOM 644 N LYS A 50 3.344 -2.688 0.886 1.00 0.00 N ATOM 645 CA LYS A 50 4.001 -1.836 -0.085 1.00 0.00 C ATOM 646 C LYS A 50 3.000 -0.876 -0.703 1.00 0.00 C ATOM 647 O LYS A 50 1.974 -1.292 -1.242 1.00 0.00 O ATOM 648 CB LYS A 50 4.689 -2.648 -1.184 1.00 0.00 C ATOM 649 CG LYS A 50 5.389 -1.767 -2.210 1.00 0.00 C ATOM 650 CD LYS A 50 6.085 -2.572 -3.290 1.00 0.00 C ATOM 651 CE LYS A 50 6.724 -1.656 -4.322 1.00 0.00 C ATOM 652 NZ LYS A 50 7.751 -0.763 -3.720 1.00 0.00 N ATOM 0 H LYS A 50 2.582 -3.255 0.514 1.00 0.00 H new ATOM 0 HA LYS A 50 4.770 -1.272 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.417 -3.322 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.950 -3.270 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.659 -1.102 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.120 -1.136 -1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.848 -3.208 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.367 -3.231 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.183 -2.259 -5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.951 -1.051 -4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.311 -0.319 -4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.282 -0.025 -3.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.379 -1.320 -3.106 1.00 0.00 H new ATOM 666 N MET A 51 3.305 0.404 -0.615 1.00 0.00 N ATOM 667 CA MET A 51 2.481 1.435 -1.219 1.00 0.00 C ATOM 668 C MET A 51 3.264 2.100 -2.330 1.00 0.00 C ATOM 669 O MET A 51 4.291 2.727 -2.074 1.00 0.00 O ATOM 670 CB MET A 51 2.080 2.499 -0.190 1.00 0.00 C ATOM 671 CG MET A 51 1.225 1.987 0.951 1.00 0.00 C ATOM 672 SD MET A 51 0.693 3.323 2.036 1.00 0.00 S ATOM 673 CE MET A 51 -0.173 2.409 3.303 1.00 0.00 C ATOM 0 H MET A 51 4.127 0.758 -0.125 1.00 0.00 H new ATOM 0 HA MET A 51 1.575 0.970 -1.607 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.985 2.944 0.224 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.539 3.295 -0.702 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.351 1.474 0.549 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.788 1.253 1.527 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.266 3.025 4.197 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.166 2.140 2.943 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.384 1.503 3.543 1.00 0.00 H new ATOM 683 N ILE A 52 2.805 1.964 -3.559 1.00 0.00 N ATOM 684 CA ILE A 52 3.468 2.630 -4.660 1.00 0.00 C ATOM 685 C ILE A 52 2.725 3.910 -5.020 1.00 0.00 C ATOM 686 O ILE A 52 1.638 3.888 -5.600 1.00 0.00 O ATOM 687 CB ILE A 52 3.635 1.713 -5.900 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.259 2.497 -7.063 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.312 1.083 -6.313 1.00 0.00 C ATOM 690 CD1 ILE A 52 4.541 1.650 -8.287 1.00 0.00 C ATOM 0 H ILE A 52 1.990 1.408 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 52 4.475 2.883 -4.329 1.00 0.00 H new ATOM 0 HB ILE A 52 4.309 0.900 -5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.589 3.311 -7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.190 2.952 -6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.468 0.447 -7.185 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.923 0.482 -5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.597 1.868 -6.559 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.981 2.272 -9.066 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.235 0.852 -8.025 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.610 1.216 -8.651 1.00 0.00 H new ATOM 702 N LEU A 53 3.309 5.027 -4.622 1.00 0.00 N ATOM 703 CA LEU A 53 2.776 6.332 -4.958 1.00 0.00 C ATOM 704 C LEU A 53 3.332 6.769 -6.297 1.00 0.00 C ATOM 705 O LEU A 53 4.499 7.148 -6.390 1.00 0.00 O ATOM 706 CB LEU A 53 3.146 7.368 -3.887 1.00 0.00 C ATOM 707 CG LEU A 53 2.174 7.505 -2.711 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.772 7.810 -3.216 1.00 0.00 C ATOM 709 CD2 LEU A 53 2.180 6.256 -1.842 1.00 0.00 C ATOM 0 H LEU A 53 4.160 5.053 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 53 1.689 6.262 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.129 7.114 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.238 8.341 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 53 2.506 8.338 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.093 7.904 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.783 8.744 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.434 7.001 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.480 6.384 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.882 5.395 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.182 6.093 -1.446 1.00 0.00 H new ATOM 721 N ILE A 54 2.514 6.694 -7.335 1.00 0.00 N ATOM 722 CA ILE A 54 2.945 7.123 -8.650 1.00 0.00 C ATOM 723 C ILE A 54 3.027 8.648 -8.692 1.00 0.00 C ATOM 724 O ILE A 54 2.078 9.340 -9.063 1.00 0.00 O ATOM 725 CB ILE A 54 2.010 6.587 -9.756 1.00 0.00 C ATOM 726 CG1 ILE A 54 1.956 5.053 -9.688 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.485 7.044 -11.130 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.050 4.419 -10.723 1.00 0.00 C ATOM 0 H ILE A 54 1.557 6.343 -7.291 1.00 0.00 H new ATOM 0 HA ILE A 54 3.935 6.709 -8.841 1.00 0.00 H new ATOM 0 HB ILE A 54 1.008 6.986 -9.596 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.964 4.659 -9.813 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.619 4.756 -8.695 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.813 6.656 -11.895 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.489 8.133 -11.170 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.493 6.670 -11.309 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.068 3.335 -10.607 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.031 4.782 -10.586 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.398 4.683 -11.722 1.00 0.00 H new ATOM 740 N GLN A 55 4.180 9.150 -8.280 1.00 0.00 N ATOM 741 CA GLN A 55 4.432 10.580 -8.199 1.00 0.00 C ATOM 742 C GLN A 55 5.222 11.029 -9.416 1.00 0.00 C ATOM 743 O GLN A 55 5.204 12.199 -9.793 1.00 0.00 O ATOM 744 CB GLN A 55 5.249 10.904 -6.947 1.00 0.00 C ATOM 745 CG GLN A 55 4.694 10.329 -5.657 1.00 0.00 C ATOM 746 CD GLN A 55 5.675 10.462 -4.508 1.00 0.00 C ATOM 747 OE1 GLN A 55 5.644 9.514 -3.587 1.00 0.00 O flip ATOM 748 NE2 GLN A 55 6.469 11.401 -4.457 1.00 0.00 N flip ATOM 0 H GLN A 55 4.971 8.575 -7.991 1.00 0.00 H new ATOM 0 HA GLN A 55 3.474 11.098 -8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.264 10.532 -7.087 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.317 11.987 -6.845 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.766 10.840 -5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.449 9.277 -5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.463 12.114 -5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.133 11.466 -3.685 1.00 0.00 H new ATOM 862 N ASP A 64 -4.755 14.041 -9.622 1.00 0.00 N ATOM 863 CA ASP A 64 -4.853 12.939 -8.665 1.00 0.00 C ATOM 864 C ASP A 64 -3.720 11.933 -8.857 1.00 0.00 C ATOM 865 O ASP A 64 -3.208 11.768 -9.963 1.00 0.00 O ATOM 866 CB ASP A 64 -6.200 12.232 -8.829 1.00 0.00 C ATOM 867 CG ASP A 64 -7.378 13.144 -8.533 1.00 0.00 C ATOM 868 OD1 ASP A 64 -7.560 14.147 -9.262 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.141 12.863 -7.583 1.00 0.00 O ATOM 0 HA ASP A 64 -4.772 13.355 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.286 11.853 -9.847 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.237 11.369 -8.164 1.00 0.00 H new ATOM 874 N LYS A 65 -3.341 11.257 -7.780 1.00 0.00 N ATOM 875 CA LYS A 65 -2.204 10.344 -7.808 1.00 0.00 C ATOM 876 C LYS A 65 -2.644 8.896 -7.672 1.00 0.00 C ATOM 877 O LYS A 65 -3.432 8.562 -6.789 1.00 0.00 O ATOM 878 CB LYS A 65 -1.224 10.671 -6.683 1.00 0.00 C ATOM 879 CG LYS A 65 -0.710 12.106 -6.716 1.00 0.00 C ATOM 880 CD LYS A 65 -0.202 12.476 -8.102 1.00 0.00 C ATOM 881 CE LYS A 65 0.388 13.878 -8.138 1.00 0.00 C ATOM 882 NZ LYS A 65 -0.518 14.892 -7.538 1.00 0.00 N ATOM 0 H LYS A 65 -3.805 11.324 -6.874 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.715 10.473 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.711 10.491 -5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.376 9.989 -6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.509 12.788 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.092 12.225 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.555 11.756 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.021 12.409 -8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.338 13.883 -7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.602 14.152 -9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.134 15.844 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.460 14.816 -7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.595 14.727 -6.514 1.00 0.00 H new ATOM 896 N PRO A 66 -2.139 8.023 -8.552 1.00 0.00 N ATOM 897 CA PRO A 66 -2.398 6.587 -8.501 1.00 0.00 C ATOM 898 C PRO A 66 -1.603 5.905 -7.390 1.00 0.00 C ATOM 899 O PRO A 66 -0.373 5.828 -7.445 1.00 0.00 O ATOM 900 CB PRO A 66 -1.922 6.085 -9.878 1.00 0.00 C ATOM 901 CG PRO A 66 -1.672 7.313 -10.682 1.00 0.00 C ATOM 902 CD PRO A 66 -1.283 8.360 -9.687 1.00 0.00 C ATOM 0 HA PRO A 66 -3.445 6.367 -8.292 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.017 5.485 -9.786 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.676 5.454 -10.348 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.880 7.151 -11.413 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.562 7.608 -11.237 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.225 8.308 -9.431 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.472 9.367 -10.058 1.00 0.00 H new ATOM 910 N LEU A 67 -2.308 5.440 -6.374 1.00 0.00 N ATOM 911 CA LEU A 67 -1.685 4.720 -5.274 1.00 0.00 C ATOM 912 C LEU A 67 -2.119 3.262 -5.277 1.00 0.00 C ATOM 913 O LEU A 67 -3.305 2.968 -5.190 1.00 0.00 O ATOM 914 CB LEU A 67 -2.057 5.373 -3.938 1.00 0.00 C ATOM 915 CG LEU A 67 -1.784 4.527 -2.684 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.318 4.135 -2.591 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.214 5.282 -1.434 1.00 0.00 C ATOM 0 H LEU A 67 -3.318 5.548 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.603 4.762 -5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.509 6.311 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.117 5.625 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.370 3.611 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.157 3.538 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.041 3.552 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.297 5.034 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.015 4.671 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.655 6.215 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.280 5.501 -1.490 1.00 0.00 H new ATOM 929 N ARG A 68 -1.158 2.358 -5.389 1.00 0.00 N ATOM 930 CA ARG A 68 -1.446 0.936 -5.283 1.00 0.00 C ATOM 931 C ARG A 68 -0.842 0.359 -4.009 1.00 0.00 C ATOM 932 O ARG A 68 0.379 0.298 -3.857 1.00 0.00 O ATOM 933 CB ARG A 68 -0.930 0.156 -6.495 1.00 0.00 C ATOM 934 CG ARG A 68 -1.694 0.428 -7.777 1.00 0.00 C ATOM 935 CD ARG A 68 -1.280 -0.535 -8.876 1.00 0.00 C ATOM 936 NE ARG A 68 -2.019 -0.312 -10.119 1.00 0.00 N ATOM 937 CZ ARG A 68 -1.467 -0.371 -11.332 1.00 0.00 C ATOM 938 NH1 ARG A 68 -0.177 -0.660 -11.473 1.00 0.00 N ATOM 939 NH2 ARG A 68 -2.207 -0.157 -12.410 1.00 0.00 N ATOM 0 H ARG A 68 -0.176 2.582 -5.552 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.531 0.832 -5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.120 0.402 -6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.979 -0.910 -6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.764 0.336 -7.593 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.514 1.453 -8.101 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.212 -0.427 -9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.442 -1.559 -8.539 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.014 -0.099 -10.054 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.399 -0.839 -10.650 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.237 -0.703 -12.404 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.200 0.053 -12.313 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.783 -0.202 -13.337 1.00 0.00 H new ATOM 953 N ILE A 69 -1.709 -0.025 -3.089 1.00 0.00 N ATOM 954 CA ILE A 69 -1.296 -0.712 -1.878 1.00 0.00 C ATOM 955 C ILE A 69 -1.334 -2.212 -2.125 1.00 0.00 C ATOM 956 O ILE A 69 -2.401 -2.786 -2.320 1.00 0.00 O ATOM 957 CB ILE A 69 -2.221 -0.360 -0.699 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.342 1.158 -0.567 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.697 -0.969 0.593 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.444 1.599 0.368 1.00 0.00 C ATOM 0 H ILE A 69 -2.715 0.130 -3.159 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.285 -0.396 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.210 -0.776 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.393 1.560 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.521 1.587 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.364 -0.709 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.651 -2.053 0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.699 -0.582 0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.470 2.688 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.401 1.227 0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.257 1.200 1.365 1.00 0.00 H new ATOM 972 N ILE A 70 -0.171 -2.834 -2.143 1.00 0.00 N ATOM 973 CA ILE A 70 -0.066 -4.231 -2.526 1.00 0.00 C ATOM 974 C ILE A 70 0.373 -5.091 -1.346 1.00 0.00 C ATOM 975 O ILE A 70 1.351 -4.767 -0.665 1.00 0.00 O ATOM 976 CB ILE A 70 0.949 -4.404 -3.678 1.00 0.00 C ATOM 977 CG1 ILE A 70 0.754 -3.313 -4.737 1.00 0.00 C ATOM 978 CG2 ILE A 70 0.803 -5.780 -4.313 1.00 0.00 C ATOM 979 CD1 ILE A 70 1.865 -3.259 -5.761 1.00 0.00 C ATOM 0 H ILE A 70 0.716 -2.395 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.053 -4.554 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 70 1.953 -4.313 -3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.193 -3.481 -5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.681 -2.345 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.525 -5.886 -5.123 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.985 -6.549 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.206 -5.892 -4.710 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.660 -2.464 -6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.812 -3.060 -5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.924 -4.213 -6.284 1.00 0.00 H new ATOM 991 N GLY A 71 -0.360 -6.171 -1.091 1.00 0.00 N ATOM 992 CA GLY A 71 0.055 -7.117 -0.076 1.00 0.00 C ATOM 993 C GLY A 71 -1.100 -7.885 0.537 1.00 0.00 C ATOM 994 O GLY A 71 -2.048 -8.266 -0.153 1.00 0.00 O ATOM 0 H GLY A 71 -1.230 -6.406 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.760 -7.823 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.587 -6.584 0.712 1.00 0.00 H new ATOM 998 N ASP A 72 -1.008 -8.094 1.839 1.00 0.00 N ATOM 999 CA ASP A 72 -1.986 -8.867 2.600 1.00 0.00 C ATOM 1000 C ASP A 72 -3.297 -8.100 2.750 1.00 0.00 C ATOM 1001 O ASP A 72 -3.297 -6.943 3.159 1.00 0.00 O ATOM 1002 CB ASP A 72 -1.379 -9.174 3.969 1.00 0.00 C ATOM 1003 CG ASP A 72 -2.338 -9.847 4.939 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -3.253 -9.163 5.440 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -2.154 -11.048 5.231 1.00 0.00 O ATOM 0 H ASP A 72 -0.244 -7.729 2.408 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.217 -9.793 2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.508 -9.815 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.023 -8.244 4.413 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.433 -8.764 2.449 1.00 0.00 N ATOM 1011 CA PRO A 73 -5.757 -8.122 2.378 1.00 0.00 C ATOM 1012 C PRO A 73 -6.165 -7.434 3.675 1.00 0.00 C ATOM 1013 O PRO A 73 -6.947 -6.480 3.666 1.00 0.00 O ATOM 1014 CB PRO A 73 -6.722 -9.276 2.091 1.00 0.00 C ATOM 1015 CG PRO A 73 -5.880 -10.393 1.580 1.00 0.00 C ATOM 1016 CD PRO A 73 -4.512 -10.209 2.173 1.00 0.00 C ATOM 0 HA PRO A 73 -5.758 -7.338 1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.257 -9.571 2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.472 -8.984 1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.300 -11.357 1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.835 -10.377 0.491 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.389 -10.796 3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.731 -10.526 1.481 1.00 0.00 H new ATOM 1024 N TYR A 74 -5.631 -7.917 4.784 1.00 0.00 N ATOM 1025 CA TYR A 74 -5.993 -7.412 6.093 1.00 0.00 C ATOM 1026 C TYR A 74 -5.263 -6.104 6.363 1.00 0.00 C ATOM 1027 O TYR A 74 -5.870 -5.117 6.775 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.651 -8.463 7.150 1.00 0.00 C ATOM 1029 CG TYR A 74 -5.972 -8.079 8.578 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -7.215 -7.568 8.931 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -5.022 -8.243 9.579 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -7.501 -7.236 10.241 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -5.301 -7.912 10.888 1.00 0.00 C ATOM 1034 CZ TYR A 74 -6.539 -7.405 11.214 1.00 0.00 C ATOM 1035 OH TYR A 74 -6.817 -7.076 12.521 1.00 0.00 O ATOM 0 H TYR A 74 -4.939 -8.666 4.801 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.064 -7.214 6.132 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.186 -9.382 6.910 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.586 -8.687 7.083 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.969 -7.428 8.170 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.048 -8.637 9.327 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.474 -6.846 10.502 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.552 -8.050 11.654 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.031 -7.257 13.078 1.00 0.00 H new ATOM 1045 N LYS A 75 -3.962 -6.087 6.107 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.177 -4.877 6.307 1.00 0.00 C ATOM 1047 C LYS A 75 -3.330 -3.911 5.142 1.00 0.00 C ATOM 1048 O LYS A 75 -3.183 -2.711 5.320 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.701 -5.191 6.562 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.118 -6.278 5.679 1.00 0.00 C ATOM 1051 CD LYS A 75 0.329 -6.575 6.056 1.00 0.00 C ATOM 1052 CE LYS A 75 0.461 -7.093 7.483 1.00 0.00 C ATOM 1053 NZ LYS A 75 1.852 -6.963 7.992 1.00 0.00 N ATOM 0 H LYS A 75 -3.432 -6.888 5.764 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.571 -4.391 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.121 -4.279 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.582 -5.487 7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.715 -7.185 5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.169 -5.969 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.738 -7.312 5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.924 -5.669 5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.217 -6.541 8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.157 -8.139 7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.894 -7.295 8.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.491 -7.537 7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.145 -5.966 7.950 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.633 -4.428 3.960 1.00 0.00 N ATOM 1068 CA VAL A 76 -3.927 -3.570 2.818 1.00 0.00 C ATOM 1069 C VAL A 76 -5.139 -2.695 3.114 1.00 0.00 C ATOM 1070 O VAL A 76 -5.150 -1.506 2.792 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.164 -4.385 1.524 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.844 -3.549 0.452 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -2.850 -4.920 0.994 1.00 0.00 C ATOM 0 H VAL A 76 -3.682 -5.428 3.766 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.054 -2.938 2.653 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.823 -5.216 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.994 -4.155 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.809 -3.200 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.218 -2.691 0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.031 -5.491 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.181 -4.088 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.392 -5.566 1.743 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.144 -3.269 3.765 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.334 -2.513 4.101 1.00 0.00 C ATOM 1085 C GLN A 77 -7.063 -1.554 5.243 1.00 0.00 C ATOM 1086 O GLN A 77 -7.510 -0.410 5.215 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.506 -3.427 4.446 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.471 -3.608 3.288 1.00 0.00 C ATOM 1089 CD GLN A 77 -9.848 -2.288 2.636 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -9.875 -1.210 3.415 1.00 0.00 O flip ATOM 1091 NE2 GLN A 77 -10.120 -2.237 1.440 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.155 -4.244 4.066 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.608 -1.936 3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.124 -4.401 4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.043 -3.015 5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.020 -4.263 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.373 -4.105 3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.089 -3.084 0.873 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.377 -1.347 1.013 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.319 -2.011 6.237 1.00 0.00 N ATOM 1101 CA GLN A 78 -5.956 -1.152 7.352 1.00 0.00 C ATOM 1102 C GLN A 78 -5.102 0.006 6.867 1.00 0.00 C ATOM 1103 O GLN A 78 -5.254 1.134 7.322 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.209 -1.938 8.420 1.00 0.00 C ATOM 1105 CG GLN A 78 -6.078 -2.953 9.132 1.00 0.00 C ATOM 1106 CD GLN A 78 -5.297 -3.771 10.138 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -5.184 -3.407 11.308 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -4.750 -4.887 9.688 1.00 0.00 N ATOM 0 H GLN A 78 -5.957 -2.963 6.295 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.873 -0.759 7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.365 -2.451 7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.799 -1.243 9.153 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.893 -2.438 9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.531 -3.619 8.398 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.867 -5.154 8.711 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.211 -5.481 10.318 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.211 -0.284 5.930 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.350 0.729 5.351 1.00 0.00 C ATOM 1119 C ALA A 79 -4.147 1.659 4.441 1.00 0.00 C ATOM 1120 O ALA A 79 -3.876 2.856 4.367 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.216 0.069 4.586 1.00 0.00 C ATOM 0 H ALA A 79 -4.067 -1.221 5.554 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.926 1.330 6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.574 0.836 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.632 -0.553 5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.627 -0.551 3.789 1.00 0.00 H new ATOM 1127 N CYS A 80 -5.134 1.100 3.752 1.00 0.00 N ATOM 1128 CA CYS A 80 -6.039 1.888 2.924 1.00 0.00 C ATOM 1129 C CYS A 80 -6.832 2.851 3.788 1.00 0.00 C ATOM 1130 O CYS A 80 -6.822 4.056 3.558 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.993 0.976 2.144 1.00 0.00 C ATOM 1132 SG CYS A 80 -8.269 1.855 1.206 1.00 0.00 S ATOM 0 H CYS A 80 -5.329 0.099 3.750 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.444 2.457 2.210 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.410 0.364 1.456 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.478 0.295 2.843 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.142 1.003 0.757 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.494 2.314 4.801 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.277 3.121 5.722 1.00 0.00 C ATOM 1140 C GLU A 81 -7.372 4.053 6.511 1.00 0.00 C ATOM 1141 O GLU A 81 -7.818 5.063 7.045 1.00 0.00 O ATOM 1142 CB GLU A 81 -9.066 2.215 6.660 1.00 0.00 C ATOM 1143 CG GLU A 81 -10.046 1.328 5.920 1.00 0.00 C ATOM 1144 CD GLU A 81 -10.803 0.388 6.827 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -11.314 0.839 7.875 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -10.914 -0.805 6.480 1.00 0.00 O ATOM 0 H GLU A 81 -7.504 1.315 5.006 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.978 3.731 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.374 1.593 7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.608 2.827 7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.758 1.954 5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.506 0.745 5.174 1.00 0.00 H new ATOM 1153 N MET A 82 -6.100 3.699 6.563 1.00 0.00 N ATOM 1154 CA MET A 82 -5.088 4.525 7.215 1.00 0.00 C ATOM 1155 C MET A 82 -4.846 5.801 6.414 1.00 0.00 C ATOM 1156 O MET A 82 -4.995 6.907 6.929 1.00 0.00 O ATOM 1157 CB MET A 82 -3.774 3.749 7.346 1.00 0.00 C ATOM 1158 CG MET A 82 -2.674 4.501 8.078 1.00 0.00 C ATOM 1159 SD MET A 82 -1.037 3.791 7.791 1.00 0.00 S ATOM 1160 CE MET A 82 -1.299 2.081 8.254 1.00 0.00 C ATOM 0 H MET A 82 -5.736 2.836 6.158 1.00 0.00 H new ATOM 0 HA MET A 82 -5.450 4.790 8.208 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.969 2.813 7.870 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.419 3.488 6.349 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.676 5.543 7.757 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.885 4.497 9.147 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.561 1.789 9.001 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.300 1.966 8.669 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.196 1.446 7.374 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.500 5.639 5.141 1.00 0.00 N ATOM 1171 CA VAL A 83 -4.147 6.775 4.299 1.00 0.00 C ATOM 1172 C VAL A 83 -5.395 7.494 3.805 1.00 0.00 C ATOM 1173 O VAL A 83 -5.380 8.704 3.579 1.00 0.00 O ATOM 1174 CB VAL A 83 -3.274 6.350 3.096 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.984 5.707 3.579 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -4.027 5.403 2.170 1.00 0.00 C ATOM 0 H VAL A 83 -4.457 4.735 4.671 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.563 7.459 4.915 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.029 7.247 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.380 5.413 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.427 6.420 4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.218 4.826 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.385 5.124 1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.315 4.508 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.920 5.899 1.791 1.00 0.00 H new ATOM 1186 N MET A 84 -6.481 6.749 3.652 1.00 0.00 N ATOM 1187 CA MET A 84 -7.740 7.328 3.220 1.00 0.00 C ATOM 1188 C MET A 84 -8.329 8.171 4.340 1.00 0.00 C ATOM 1189 O MET A 84 -9.031 9.145 4.087 1.00 0.00 O ATOM 1190 CB MET A 84 -8.724 6.236 2.796 1.00 0.00 C ATOM 1191 CG MET A 84 -10.004 6.773 2.182 1.00 0.00 C ATOM 1192 SD MET A 84 -11.060 5.466 1.521 1.00 0.00 S ATOM 1193 CE MET A 84 -11.480 4.570 3.015 1.00 0.00 C ATOM 0 H MET A 84 -6.513 5.744 3.821 1.00 0.00 H new ATOM 0 HA MET A 84 -7.554 7.965 2.356 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.235 5.578 2.078 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.976 5.628 3.665 1.00 0.00 H new ATOM 0 HG2 MET A 84 -10.556 7.335 2.936 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.754 7.472 1.383 1.00 0.00 H new ATOM 0 HE1 MET A 84 -12.301 3.883 2.809 1.00 0.00 H new ATOM 0 HE2 MET A 84 -10.612 4.006 3.357 1.00 0.00 H new ATOM 0 HE3 MET A 84 -11.782 5.275 3.789 1.00 0.00 H new ATOM 1203 N ASP A 85 -8.023 7.802 5.580 1.00 0.00 N ATOM 1204 CA ASP A 85 -8.442 8.594 6.735 1.00 0.00 C ATOM 1205 C ASP A 85 -7.807 9.971 6.677 1.00 0.00 C ATOM 1206 O ASP A 85 -8.485 10.983 6.823 1.00 0.00 O ATOM 1207 CB ASP A 85 -8.060 7.902 8.042 1.00 0.00 C ATOM 1208 CG ASP A 85 -8.353 8.751 9.266 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -9.515 8.763 9.722 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -7.415 9.395 9.787 1.00 0.00 O ATOM 0 H ASP A 85 -7.489 6.964 5.812 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.527 8.693 6.704 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.603 6.960 8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.998 7.657 8.021 1.00 0.00 H new ATOM 1215 N ILE A 86 -6.502 9.994 6.430 1.00 0.00 N ATOM 1216 CA ILE A 86 -5.754 11.241 6.295 1.00 0.00 C ATOM 1217 C ILE A 86 -6.309 12.067 5.143 1.00 0.00 C ATOM 1218 O ILE A 86 -6.312 13.296 5.173 1.00 0.00 O ATOM 1219 CB ILE A 86 -4.257 10.972 6.024 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -3.722 9.899 6.978 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -3.456 12.259 6.179 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -2.283 9.510 6.712 1.00 0.00 C ATOM 0 H ILE A 86 -5.934 9.154 6.318 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.857 11.784 7.234 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.150 10.610 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.808 10.261 8.003 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.349 9.011 6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.402 12.057 5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.820 13.002 5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.572 12.640 7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.974 8.747 7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.194 9.117 5.699 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.644 10.386 6.819 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.794 11.372 4.130 1.00 0.00 N ATOM 1235 CA LEU A 87 -7.294 12.013 2.930 1.00 0.00 C ATOM 1236 C LEU A 87 -8.724 12.507 3.113 1.00 0.00 C ATOM 1237 O LEU A 87 -9.203 13.340 2.345 1.00 0.00 O ATOM 1238 CB LEU A 87 -7.209 11.042 1.763 1.00 0.00 C ATOM 1239 CG LEU A 87 -6.344 11.513 0.604 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -4.998 12.016 1.110 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -6.151 10.384 -0.388 1.00 0.00 C ATOM 0 H LEU A 87 -6.852 10.354 4.117 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.674 12.885 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.818 10.092 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.216 10.852 1.393 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.848 12.339 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.393 12.349 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.155 12.849 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.481 11.210 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.531 10.729 -1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.663 9.545 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.121 10.066 -0.770 1.00 0.00 H new ATOM 1253 N ARG A 88 -9.402 11.994 4.125 1.00 0.00 N ATOM 1254 CA ARG A 88 -10.728 12.483 4.470 1.00 0.00 C ATOM 1255 C ARG A 88 -10.630 13.384 5.689 1.00 0.00 C ATOM 1256 O ARG A 88 -11.637 13.842 6.236 1.00 0.00 O ATOM 1257 CB ARG A 88 -11.689 11.327 4.752 1.00 0.00 C ATOM 1258 CG ARG A 88 -11.853 10.345 3.600 1.00 0.00 C ATOM 1259 CD ARG A 88 -12.146 11.051 2.286 1.00 0.00 C ATOM 1260 NE ARG A 88 -13.262 11.988 2.393 1.00 0.00 N ATOM 1261 CZ ARG A 88 -13.654 12.792 1.403 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -13.125 12.662 0.193 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -14.598 13.698 1.615 1.00 0.00 N ATOM 0 H ARG A 88 -9.059 11.241 4.721 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.121 13.046 3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.336 10.783 5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.667 11.738 5.004 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.945 9.751 3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.663 9.652 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.255 11.587 1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.371 10.309 1.520 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.771 12.030 3.276 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.418 11.947 0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.425 13.277 -0.564 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.027 13.782 2.537 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.896 14.311 0.856 1.00 0.00 H new ATOM 1277 N GLU A 89 -9.400 13.633 6.094 1.00 0.00 N ATOM 1278 CA GLU A 89 -9.111 14.435 7.263 1.00 0.00 C ATOM 1279 C GLU A 89 -8.674 15.826 6.812 1.00 0.00 C ATOM 1280 O GLU A 89 -7.497 15.992 6.424 1.00 0.00 O ATOM 1281 CB GLU A 89 -8.018 13.736 8.090 1.00 0.00 C ATOM 1282 CG GLU A 89 -8.014 14.082 9.575 1.00 0.00 C ATOM 1283 CD GLU A 89 -7.461 15.459 9.877 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -6.233 15.651 9.757 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -8.245 16.347 10.275 1.00 0.00 O ATOM 1286 OXT GLU A 89 -9.524 16.738 6.802 1.00 0.00 O ATOM 0 H GLU A 89 -8.569 13.282 5.617 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.995 14.543 7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.137 12.658 7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.046 13.993 7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.033 14.017 9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.425 13.338 10.111 1.00 0.00 H new