USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 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= -1.08 K(o=-1.6,f=-7.3!) USER MOD Set 1.2: A 80 CYS SG : rot -21:sc= -0.527 USER MOD Single : A 18 THR OG1 : rot 29:sc= -1.61! USER MOD Single : A 23 MET CE :methyl 152:sc= -1.37 (180deg=-3.3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc=-0.00335 (180deg=-0.136) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0709 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.267 F(o=-2.2!,f=-0.27) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= -0.0621 (180deg=-0.445) USER MOD Single : A 51 MET CE :methyl -107:sc= -4.38! (180deg=-10.7!) USER MOD Single : A 55 GLN : amide:sc= -0.0831 K(o=-0.083,f=-4.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.21) USER MOD Single : A 77 GLN :FLIP amide:sc= -0.671 F(o=-3!,f=-0.67) USER MOD Single : A 78 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.49) USER MOD Single : A 82 MET CE :methyl 136:sc= -1.92 (180deg=-5.77!) USER MOD Single : A 84 MET CE :methyl 137:sc= -0.119 (180deg=-1.3) USER MOD ----------------------------------------------------------------- ATOM 165 N THR A 18 -3.356 -8.720 -3.311 1.00 0.00 N ATOM 166 CA THR A 18 -4.372 -7.685 -3.245 1.00 0.00 C ATOM 167 C THR A 18 -3.742 -6.315 -3.458 1.00 0.00 C ATOM 168 O THR A 18 -2.762 -5.966 -2.802 1.00 0.00 O ATOM 169 CB THR A 18 -5.113 -7.721 -1.894 1.00 0.00 C ATOM 170 OG1 THR A 18 -5.739 -9.001 -1.730 1.00 0.00 O ATOM 171 CG2 THR A 18 -6.171 -6.627 -1.801 1.00 0.00 C ATOM 0 HA THR A 18 -5.097 -7.872 -4.037 1.00 0.00 H new ATOM 0 HB THR A 18 -4.381 -7.550 -1.104 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.222 -9.682 -2.210 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.671 -6.686 -0.834 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.696 -5.652 -1.905 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.904 -6.761 -2.597 1.00 0.00 H new ATOM 179 N VAL A 19 -4.291 -5.554 -4.392 1.00 0.00 N ATOM 180 CA VAL A 19 -3.779 -4.228 -4.684 1.00 0.00 C ATOM 181 C VAL A 19 -4.923 -3.239 -4.894 1.00 0.00 C ATOM 182 O VAL A 19 -5.785 -3.430 -5.758 1.00 0.00 O ATOM 183 CB VAL A 19 -2.837 -4.239 -5.916 1.00 0.00 C ATOM 184 CG1 VAL A 19 -3.502 -4.900 -7.116 1.00 0.00 C ATOM 185 CG2 VAL A 19 -2.388 -2.827 -6.266 1.00 0.00 C ATOM 0 H VAL A 19 -5.091 -5.834 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.195 -3.906 -3.822 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.957 -4.827 -5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.816 -4.892 -7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.759 -5.930 -6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.408 -4.353 -7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.728 -2.859 -7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.260 -2.215 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.854 -2.395 -5.420 1.00 0.00 H new ATOM 195 N GLN A 20 -4.944 -2.200 -4.074 1.00 0.00 N ATOM 196 CA GLN A 20 -5.932 -1.139 -4.201 1.00 0.00 C ATOM 197 C GLN A 20 -5.305 0.078 -4.859 1.00 0.00 C ATOM 198 O GLN A 20 -4.180 0.458 -4.534 1.00 0.00 O ATOM 199 CB GLN A 20 -6.505 -0.760 -2.832 1.00 0.00 C ATOM 200 CG GLN A 20 -7.423 -1.822 -2.247 1.00 0.00 C ATOM 201 CD GLN A 20 -7.973 -1.440 -0.887 1.00 0.00 C ATOM 202 OE1 GLN A 20 -7.392 -1.770 0.144 1.00 0.00 O ATOM 203 NE2 GLN A 20 -9.088 -0.730 -0.875 1.00 0.00 N ATOM 0 H GLN A 20 -4.283 -2.068 -3.308 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.749 -1.503 -4.825 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.683 -0.579 -2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.056 0.176 -2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.252 -1.997 -2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.876 -2.761 -2.162 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.540 -0.476 -1.753 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.496 -0.436 0.012 1.00 0.00 H new ATOM 212 N GLU A 21 -6.030 0.670 -5.798 1.00 0.00 N ATOM 213 CA GLU A 21 -5.558 1.855 -6.498 1.00 0.00 C ATOM 214 C GLU A 21 -6.401 3.061 -6.129 1.00 0.00 C ATOM 215 O GLU A 21 -7.595 3.113 -6.425 1.00 0.00 O ATOM 216 CB GLU A 21 -5.564 1.627 -8.009 1.00 0.00 C ATOM 217 CG GLU A 21 -4.388 0.790 -8.477 1.00 0.00 C ATOM 218 CD GLU A 21 -4.502 0.342 -9.916 1.00 0.00 C ATOM 219 OE1 GLU A 21 -5.329 -0.546 -10.200 1.00 0.00 O ATOM 220 OE2 GLU A 21 -3.749 0.863 -10.767 1.00 0.00 O ATOM 0 H GLU A 21 -6.951 0.347 -6.093 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.531 2.051 -6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.493 1.134 -8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.545 2.591 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.471 1.366 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.300 -0.088 -7.837 1.00 0.00 H new ATOM 227 N ILE A 22 -5.768 4.018 -5.470 1.00 0.00 N ATOM 228 CA ILE A 22 -6.452 5.206 -4.981 1.00 0.00 C ATOM 229 C ILE A 22 -6.080 6.414 -5.838 1.00 0.00 C ATOM 230 O ILE A 22 -5.041 6.412 -6.499 1.00 0.00 O ATOM 231 CB ILE A 22 -6.073 5.497 -3.505 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.033 4.197 -2.689 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.060 6.476 -2.875 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.364 3.475 -2.618 1.00 0.00 C ATOM 0 H ILE A 22 -4.770 3.995 -5.259 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.525 5.024 -5.042 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.081 5.948 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.291 3.528 -3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.700 4.425 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.774 6.665 -1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.049 7.413 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.063 6.050 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.254 2.567 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.106 4.124 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.690 3.214 -3.625 1.00 0.00 H new ATOM 246 N MET A 23 -6.937 7.426 -5.839 1.00 0.00 N ATOM 247 CA MET A 23 -6.655 8.677 -6.520 1.00 0.00 C ATOM 248 C MET A 23 -6.398 9.755 -5.485 1.00 0.00 C ATOM 249 O MET A 23 -7.335 10.328 -4.924 1.00 0.00 O ATOM 250 CB MET A 23 -7.824 9.090 -7.412 1.00 0.00 C ATOM 251 CG MET A 23 -8.083 8.153 -8.584 1.00 0.00 C ATOM 252 SD MET A 23 -7.118 8.552 -10.064 1.00 0.00 S ATOM 253 CE MET A 23 -5.462 8.068 -9.585 1.00 0.00 C ATOM 0 H MET A 23 -7.842 7.401 -5.370 1.00 0.00 H new ATOM 0 HA MET A 23 -5.776 8.544 -7.151 1.00 0.00 H new ATOM 0 HB2 MET A 23 -8.726 9.149 -6.803 1.00 0.00 H new ATOM 0 HB3 MET A 23 -7.634 10.091 -7.798 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.856 7.132 -8.278 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.144 8.183 -8.834 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.895 7.785 -10.472 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.968 8.904 -9.090 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.514 7.221 -8.901 1.00 0.00 H new ATOM 263 N ILE A 24 -5.135 10.001 -5.211 1.00 0.00 N ATOM 264 CA ILE A 24 -4.759 10.945 -4.175 1.00 0.00 C ATOM 265 C ILE A 24 -4.785 12.373 -4.708 1.00 0.00 C ATOM 266 O ILE A 24 -4.153 12.670 -5.718 1.00 0.00 O ATOM 267 CB ILE A 24 -3.348 10.649 -3.627 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.186 9.158 -3.296 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.073 11.504 -2.400 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.223 8.624 -2.331 1.00 0.00 C ATOM 0 H ILE A 24 -4.349 9.561 -5.690 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.485 10.838 -3.369 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.621 10.900 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.236 8.584 -4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.194 8.996 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.074 11.287 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.138 12.558 -2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.810 11.281 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.039 7.565 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.160 9.170 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.218 8.752 -2.758 1.00 0.00 H new ATOM 282 N PRO A 25 -5.530 13.268 -4.038 1.00 0.00 N ATOM 283 CA PRO A 25 -5.572 14.687 -4.393 1.00 0.00 C ATOM 284 C PRO A 25 -4.166 15.270 -4.529 1.00 0.00 C ATOM 285 O PRO A 25 -3.311 15.056 -3.670 1.00 0.00 O ATOM 286 CB PRO A 25 -6.308 15.322 -3.213 1.00 0.00 C ATOM 287 CG PRO A 25 -7.168 14.234 -2.677 1.00 0.00 C ATOM 288 CD PRO A 25 -6.400 12.959 -2.892 1.00 0.00 C ATOM 0 HA PRO A 25 -6.057 14.866 -5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.609 15.683 -2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.904 16.178 -3.531 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.380 14.389 -1.619 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.127 14.204 -3.193 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.820 12.687 -2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.064 12.122 -3.107 1.00 0.00 H new ATOM 296 N ALA A 26 -3.947 16.004 -5.618 1.00 0.00 N ATOM 297 CA ALA A 26 -2.624 16.508 -5.982 1.00 0.00 C ATOM 298 C ALA A 26 -2.020 17.398 -4.900 1.00 0.00 C ATOM 299 O ALA A 26 -0.802 17.436 -4.732 1.00 0.00 O ATOM 300 CB ALA A 26 -2.700 17.259 -7.303 1.00 0.00 C ATOM 0 H ALA A 26 -4.683 16.267 -6.274 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.966 15.646 -6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.710 17.631 -7.567 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.055 16.587 -8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.389 18.098 -7.206 1.00 0.00 H new ATOM 306 N GLY A 27 -2.866 18.115 -4.174 1.00 0.00 N ATOM 307 CA GLY A 27 -2.383 18.963 -3.101 1.00 0.00 C ATOM 308 C GLY A 27 -2.152 18.180 -1.825 1.00 0.00 C ATOM 309 O GLY A 27 -1.197 18.439 -1.091 1.00 0.00 O ATOM 0 H GLY A 27 -3.877 18.125 -4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.453 19.442 -3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.104 19.758 -2.914 1.00 0.00 H new ATOM 313 N LYS A 28 -3.022 17.206 -1.574 1.00 0.00 N ATOM 314 CA LYS A 28 -2.922 16.360 -0.391 1.00 0.00 C ATOM 315 C LYS A 28 -1.887 15.257 -0.582 1.00 0.00 C ATOM 316 O LYS A 28 -1.705 14.406 0.288 1.00 0.00 O ATOM 317 CB LYS A 28 -4.282 15.747 -0.047 1.00 0.00 C ATOM 318 CG LYS A 28 -5.108 16.580 0.921 1.00 0.00 C ATOM 319 CD LYS A 28 -6.396 15.876 1.294 1.00 0.00 C ATOM 320 CE LYS A 28 -7.000 16.428 2.577 1.00 0.00 C ATOM 321 NZ LYS A 28 -7.422 17.849 2.455 1.00 0.00 N ATOM 0 H LYS A 28 -3.811 16.983 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.599 16.992 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.850 15.608 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.125 14.758 0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.526 16.779 1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.337 17.545 0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.115 15.981 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.204 14.810 1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.861 15.822 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.272 16.339 3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.825 18.170 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.598 18.437 2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.138 17.935 1.706 1.00 0.00 H new ATOM 335 N ALA A 29 -1.207 15.282 -1.721 1.00 0.00 N ATOM 336 CA ALA A 29 -0.127 14.343 -1.992 1.00 0.00 C ATOM 337 C ALA A 29 0.991 14.520 -0.971 1.00 0.00 C ATOM 338 O ALA A 29 1.674 13.567 -0.607 1.00 0.00 O ATOM 339 CB ALA A 29 0.399 14.539 -3.407 1.00 0.00 C ATOM 0 H ALA A 29 -1.386 15.946 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.512 13.327 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.206 13.831 -3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.407 14.371 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.775 15.556 -3.518 1.00 0.00 H new ATOM 345 N GLY A 30 1.145 15.744 -0.486 1.00 0.00 N ATOM 346 CA GLY A 30 2.143 16.022 0.523 1.00 0.00 C ATOM 347 C GLY A 30 1.840 15.332 1.839 1.00 0.00 C ATOM 348 O GLY A 30 2.725 15.165 2.674 1.00 0.00 O ATOM 0 H GLY A 30 0.593 16.552 -0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.120 15.699 0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.202 17.098 0.685 1.00 0.00 H new ATOM 352 N LEU A 31 0.589 14.922 2.017 1.00 0.00 N ATOM 353 CA LEU A 31 0.171 14.245 3.236 1.00 0.00 C ATOM 354 C LEU A 31 0.473 12.753 3.157 1.00 0.00 C ATOM 355 O LEU A 31 1.021 12.177 4.093 1.00 0.00 O ATOM 356 CB LEU A 31 -1.319 14.469 3.494 1.00 0.00 C ATOM 357 CG LEU A 31 -1.732 15.926 3.714 1.00 0.00 C ATOM 358 CD1 LEU A 31 -3.219 16.019 4.015 1.00 0.00 C ATOM 359 CD2 LEU A 31 -0.923 16.547 4.844 1.00 0.00 C ATOM 0 H LEU A 31 -0.154 15.048 1.330 1.00 0.00 H new ATOM 0 HA LEU A 31 0.735 14.668 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.881 14.073 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.611 13.890 4.370 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.529 16.481 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.495 17.062 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.786 15.614 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.444 15.448 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.231 17.583 4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.095 15.989 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.137 16.515 4.593 1.00 0.00 H new ATOM 371 N VAL A 32 0.122 12.131 2.035 1.00 0.00 N ATOM 372 CA VAL A 32 0.407 10.713 1.834 1.00 0.00 C ATOM 373 C VAL A 32 1.909 10.467 1.736 1.00 0.00 C ATOM 374 O VAL A 32 2.411 9.439 2.187 1.00 0.00 O ATOM 375 CB VAL A 32 -0.285 10.141 0.576 1.00 0.00 C ATOM 376 CG1 VAL A 32 -1.753 9.855 0.845 1.00 0.00 C ATOM 377 CG2 VAL A 32 -0.144 11.094 -0.596 1.00 0.00 C ATOM 0 H VAL A 32 -0.357 12.582 1.256 1.00 0.00 H new ATOM 0 HA VAL A 32 0.005 10.196 2.705 1.00 0.00 H new ATOM 0 HB VAL A 32 0.208 9.202 0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.217 9.453 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.840 9.128 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.257 10.778 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.638 10.671 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.605 12.050 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.913 11.247 -0.815 1.00 0.00 H new ATOM 387 N ILE A 33 2.620 11.416 1.145 1.00 0.00 N ATOM 388 CA ILE A 33 4.064 11.312 1.022 1.00 0.00 C ATOM 389 C ILE A 33 4.740 11.716 2.330 1.00 0.00 C ATOM 390 O ILE A 33 5.645 11.038 2.816 1.00 0.00 O ATOM 391 CB ILE A 33 4.596 12.180 -0.139 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.988 11.714 -1.462 1.00 0.00 C ATOM 393 CG2 ILE A 33 6.115 12.125 -0.203 1.00 0.00 C ATOM 394 CD1 ILE A 33 4.355 12.590 -2.639 1.00 0.00 C ATOM 0 H ILE A 33 2.220 12.265 0.744 1.00 0.00 H new ATOM 0 HA ILE A 33 4.303 10.271 0.803 1.00 0.00 H new ATOM 0 HB ILE A 33 4.302 13.214 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.315 10.694 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.903 11.687 -1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.467 12.744 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.532 12.497 0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.436 11.095 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.888 12.199 -3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.004 13.606 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.438 12.597 -2.764 1.00 0.00 H new ATOM 406 N GLY A 34 4.278 12.814 2.907 1.00 0.00 N ATOM 407 CA GLY A 34 4.803 13.258 4.181 1.00 0.00 C ATOM 408 C GLY A 34 5.833 14.350 4.041 1.00 0.00 C ATOM 409 O GLY A 34 6.932 14.247 4.584 1.00 0.00 O ATOM 0 H GLY A 34 3.547 13.407 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.982 13.617 4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.248 12.410 4.701 1.00 0.00 H new ATOM 413 N LYS A 35 5.471 15.389 3.291 1.00 0.00 N ATOM 414 CA LYS A 35 6.308 16.578 3.120 1.00 0.00 C ATOM 415 C LYS A 35 7.714 16.227 2.632 1.00 0.00 C ATOM 416 O LYS A 35 8.680 16.925 2.946 1.00 0.00 O ATOM 417 CB LYS A 35 6.395 17.379 4.431 1.00 0.00 C ATOM 418 CG LYS A 35 5.175 18.242 4.738 1.00 0.00 C ATOM 419 CD LYS A 35 3.929 17.418 5.010 1.00 0.00 C ATOM 420 CE LYS A 35 2.763 18.297 5.435 1.00 0.00 C ATOM 421 NZ LYS A 35 2.396 19.279 4.381 1.00 0.00 N ATOM 0 H LYS A 35 4.587 15.432 2.783 1.00 0.00 H new ATOM 0 HA LYS A 35 5.832 17.192 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.546 16.683 5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.275 18.021 4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.387 18.869 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.987 18.911 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.658 16.860 4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.138 16.686 5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.901 17.671 5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.023 18.828 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.508 19.753 4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.152 19.987 4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.271 18.785 3.475 1.00 0.00 H new ATOM 435 N GLY A 36 7.830 15.155 1.860 1.00 0.00 N ATOM 436 CA GLY A 36 9.129 14.737 1.383 1.00 0.00 C ATOM 437 C GLY A 36 9.238 13.236 1.236 1.00 0.00 C ATOM 438 O GLY A 36 9.877 12.748 0.304 1.00 0.00 O ATOM 0 H GLY A 36 7.050 14.571 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.328 15.208 0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.896 15.088 2.074 1.00 0.00 H new ATOM 442 N GLY A 37 8.620 12.494 2.145 1.00 0.00 N ATOM 443 CA GLY A 37 8.653 11.048 2.030 1.00 0.00 C ATOM 444 C GLY A 37 8.649 10.310 3.358 1.00 0.00 C ATOM 445 O GLY A 37 8.632 9.080 3.375 1.00 0.00 O ATOM 0 H GLY A 37 8.105 12.858 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.792 10.723 1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.544 10.761 1.472 1.00 0.00 H new ATOM 449 N GLU A 38 8.657 11.038 4.468 1.00 0.00 N ATOM 450 CA GLU A 38 8.672 10.401 5.782 1.00 0.00 C ATOM 451 C GLU A 38 7.406 9.577 6.014 1.00 0.00 C ATOM 452 O GLU A 38 7.480 8.422 6.431 1.00 0.00 O ATOM 453 CB GLU A 38 8.831 11.441 6.896 1.00 0.00 C ATOM 454 CG GLU A 38 10.095 12.279 6.774 1.00 0.00 C ATOM 455 CD GLU A 38 10.349 13.140 7.997 1.00 0.00 C ATOM 456 OE1 GLU A 38 9.867 14.295 8.033 1.00 0.00 O ATOM 457 OE2 GLU A 38 11.041 12.668 8.927 1.00 0.00 O ATOM 0 H GLU A 38 8.653 12.058 4.487 1.00 0.00 H new ATOM 0 HA GLU A 38 9.530 9.729 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.965 12.103 6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.835 10.931 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.949 11.620 6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.018 12.918 5.895 1.00 0.00 H new ATOM 464 N THR A 39 6.250 10.163 5.722 1.00 0.00 N ATOM 465 CA THR A 39 4.976 9.497 5.961 1.00 0.00 C ATOM 466 C THR A 39 4.827 8.238 5.106 1.00 0.00 C ATOM 467 O THR A 39 4.550 7.165 5.637 1.00 0.00 O ATOM 468 CB THR A 39 3.791 10.451 5.709 1.00 0.00 C ATOM 469 OG1 THR A 39 3.887 11.577 6.594 1.00 0.00 O ATOM 470 CG2 THR A 39 2.459 9.747 5.927 1.00 0.00 C ATOM 0 H THR A 39 6.169 11.097 5.320 1.00 0.00 H new ATOM 0 HA THR A 39 4.966 9.199 7.009 1.00 0.00 H new ATOM 0 HB THR A 39 3.836 10.784 4.672 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.135 12.185 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.643 10.446 5.742 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.377 8.903 5.242 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.402 9.387 6.954 1.00 0.00 H new ATOM 478 N ILE A 40 5.042 8.358 3.794 1.00 0.00 N ATOM 479 CA ILE A 40 4.894 7.212 2.891 1.00 0.00 C ATOM 480 C ILE A 40 5.817 6.068 3.309 1.00 0.00 C ATOM 481 O ILE A 40 5.445 4.896 3.241 1.00 0.00 O ATOM 482 CB ILE A 40 5.162 7.588 1.409 1.00 0.00 C ATOM 483 CG1 ILE A 40 5.099 6.337 0.524 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.502 8.293 1.251 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.426 6.592 -0.930 1.00 0.00 C ATOM 0 H ILE A 40 5.316 9.227 3.336 1.00 0.00 H new ATOM 0 HA ILE A 40 3.857 6.887 2.968 1.00 0.00 H new ATOM 0 HB ILE A 40 4.384 8.282 1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.792 5.593 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.099 5.908 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.660 8.543 0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.505 9.206 1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.302 7.635 1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.359 5.658 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.718 7.311 -1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.437 6.991 -1.011 1.00 0.00 H new ATOM 497 N LYS A 41 7.010 6.420 3.764 1.00 0.00 N ATOM 498 CA LYS A 41 7.971 5.443 4.255 1.00 0.00 C ATOM 499 C LYS A 41 7.423 4.729 5.490 1.00 0.00 C ATOM 500 O LYS A 41 7.499 3.506 5.597 1.00 0.00 O ATOM 501 CB LYS A 41 9.288 6.149 4.580 1.00 0.00 C ATOM 502 CG LYS A 41 10.334 5.259 5.220 1.00 0.00 C ATOM 503 CD LYS A 41 11.600 6.042 5.513 1.00 0.00 C ATOM 504 CE LYS A 41 12.643 5.194 6.217 1.00 0.00 C ATOM 505 NZ LYS A 41 13.844 5.995 6.566 1.00 0.00 N ATOM 0 H LYS A 41 7.338 7.385 3.803 1.00 0.00 H new ATOM 0 HA LYS A 41 8.149 4.693 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.698 6.568 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.083 6.986 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.941 4.835 6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.562 4.424 4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.014 6.425 4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.357 6.906 6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.214 4.764 7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.932 4.362 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.539 5.388 7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.265 6.385 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.570 6.774 7.198 1.00 0.00 H new ATOM 519 N GLN A 42 6.839 5.508 6.396 1.00 0.00 N ATOM 520 CA GLN A 42 6.292 4.974 7.640 1.00 0.00 C ATOM 521 C GLN A 42 5.126 4.046 7.356 1.00 0.00 C ATOM 522 O GLN A 42 4.987 2.997 7.986 1.00 0.00 O ATOM 523 CB GLN A 42 5.830 6.114 8.550 1.00 0.00 C ATOM 524 CG GLN A 42 6.970 6.923 9.137 1.00 0.00 C ATOM 525 CD GLN A 42 6.506 8.205 9.799 1.00 0.00 C ATOM 526 OE1 GLN A 42 5.379 8.298 10.286 1.00 0.00 O ATOM 527 NE2 GLN A 42 7.380 9.196 9.836 1.00 0.00 N ATOM 0 H GLN A 42 6.732 6.517 6.291 1.00 0.00 H new ATOM 0 HA GLN A 42 7.078 4.410 8.142 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.178 6.779 7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.233 5.700 9.363 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.501 6.314 9.869 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.681 7.165 8.347 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.304 9.077 9.420 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.131 10.080 10.280 1.00 0.00 H new ATOM 536 N LEU A 43 4.300 4.441 6.396 1.00 0.00 N ATOM 537 CA LEU A 43 3.108 3.687 6.037 1.00 0.00 C ATOM 538 C LEU A 43 3.449 2.254 5.643 1.00 0.00 C ATOM 539 O LEU A 43 2.832 1.304 6.127 1.00 0.00 O ATOM 540 CB LEU A 43 2.385 4.369 4.877 1.00 0.00 C ATOM 541 CG LEU A 43 2.015 5.838 5.096 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.378 6.418 3.844 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.084 5.988 6.289 1.00 0.00 C ATOM 0 H LEU A 43 4.437 5.290 5.847 1.00 0.00 H new ATOM 0 HA LEU A 43 2.461 3.659 6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.015 4.301 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.473 3.812 4.664 1.00 0.00 H new ATOM 0 HG LEU A 43 2.929 6.393 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.121 7.463 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.080 6.350 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.475 5.858 3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.834 7.040 6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.172 5.419 6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.578 5.613 7.185 1.00 0.00 H new ATOM 555 N GLN A 44 4.441 2.112 4.774 1.00 0.00 N ATOM 556 CA GLN A 44 4.851 0.803 4.278 1.00 0.00 C ATOM 557 C GLN A 44 5.276 -0.095 5.433 1.00 0.00 C ATOM 558 O GLN A 44 4.782 -1.213 5.587 1.00 0.00 O ATOM 559 CB GLN A 44 6.018 0.946 3.298 1.00 0.00 C ATOM 560 CG GLN A 44 5.812 2.020 2.246 1.00 0.00 C ATOM 561 CD GLN A 44 7.053 2.263 1.413 1.00 0.00 C ATOM 562 OE1 GLN A 44 7.268 3.511 1.034 1.00 0.00 O flip ATOM 563 NE2 GLN A 44 7.824 1.344 1.134 1.00 0.00 N flip ATOM 0 H GLN A 44 4.980 2.891 4.396 1.00 0.00 H new ATOM 0 HA GLN A 44 4.000 0.354 3.766 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.925 1.171 3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.180 -0.010 2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.990 1.730 1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.518 2.950 2.733 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.620 0.395 1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.666 1.532 0.590 1.00 0.00 H new ATOM 572 N GLU A 45 6.175 0.427 6.258 1.00 0.00 N ATOM 573 CA GLU A 45 6.782 -0.347 7.331 1.00 0.00 C ATOM 574 C GLU A 45 5.777 -0.686 8.426 1.00 0.00 C ATOM 575 O GLU A 45 5.766 -1.803 8.941 1.00 0.00 O ATOM 576 CB GLU A 45 7.960 0.418 7.933 1.00 0.00 C ATOM 577 CG GLU A 45 8.958 0.905 6.896 1.00 0.00 C ATOM 578 CD GLU A 45 10.187 1.533 7.512 1.00 0.00 C ATOM 579 OE1 GLU A 45 10.058 2.559 8.208 1.00 0.00 O ATOM 580 OE2 GLU A 45 11.294 0.996 7.299 1.00 0.00 O ATOM 0 H GLU A 45 6.501 1.392 6.202 1.00 0.00 H new ATOM 0 HA GLU A 45 7.135 -1.283 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.580 1.274 8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.474 -0.225 8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.260 0.067 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.472 1.632 6.245 1.00 0.00 H new ATOM 587 N ARG A 46 4.922 0.272 8.770 1.00 0.00 N ATOM 588 CA ARG A 46 3.997 0.093 9.886 1.00 0.00 C ATOM 589 C ARG A 46 2.887 -0.892 9.546 1.00 0.00 C ATOM 590 O ARG A 46 2.333 -1.538 10.433 1.00 0.00 O ATOM 591 CB ARG A 46 3.380 1.427 10.325 1.00 0.00 C ATOM 592 CG ARG A 46 2.410 2.041 9.330 1.00 0.00 C ATOM 593 CD ARG A 46 1.699 3.238 9.940 1.00 0.00 C ATOM 594 NE ARG A 46 0.924 2.859 11.126 1.00 0.00 N ATOM 595 CZ ARG A 46 0.047 3.655 11.740 1.00 0.00 C ATOM 596 NH1 ARG A 46 -0.202 4.871 11.270 1.00 0.00 N ATOM 597 NH2 ARG A 46 -0.587 3.222 12.821 1.00 0.00 N ATOM 0 H ARG A 46 4.850 1.173 8.297 1.00 0.00 H new ATOM 0 HA ARG A 46 4.583 -0.313 10.711 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.860 1.276 11.271 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.184 2.138 10.513 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.948 2.349 8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.677 1.295 9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.432 3.998 10.211 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.036 3.685 9.199 1.00 0.00 H new ATOM 0 HE ARG A 46 1.065 1.923 11.507 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.279 5.203 10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.874 5.474 11.745 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.403 2.285 13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.259 3.826 13.295 1.00 0.00 H new ATOM 611 N ALA A 47 2.553 -0.993 8.269 1.00 0.00 N ATOM 612 CA ALA A 47 1.488 -1.888 7.844 1.00 0.00 C ATOM 613 C ALA A 47 2.046 -3.220 7.355 1.00 0.00 C ATOM 614 O ALA A 47 1.353 -4.237 7.357 1.00 0.00 O ATOM 615 CB ALA A 47 0.641 -1.234 6.760 1.00 0.00 C ATOM 0 H ALA A 47 2.999 -0.471 7.515 1.00 0.00 H new ATOM 0 HA ALA A 47 0.855 -2.088 8.709 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.151 -1.918 6.454 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.198 -0.317 7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.269 -0.998 5.901 1.00 0.00 H new ATOM 621 N GLY A 48 3.310 -3.208 6.948 1.00 0.00 N ATOM 622 CA GLY A 48 3.939 -4.407 6.425 1.00 0.00 C ATOM 623 C GLY A 48 3.557 -4.656 4.982 1.00 0.00 C ATOM 624 O GLY A 48 3.530 -5.797 4.521 1.00 0.00 O ATOM 0 H GLY A 48 3.913 -2.386 6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.022 -4.314 6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.648 -5.265 7.032 1.00 0.00 H new ATOM 628 N VAL A 49 3.265 -3.579 4.271 1.00 0.00 N ATOM 629 CA VAL A 49 2.813 -3.656 2.891 1.00 0.00 C ATOM 630 C VAL A 49 3.734 -2.848 1.994 1.00 0.00 C ATOM 631 O VAL A 49 4.698 -2.241 2.462 1.00 0.00 O ATOM 632 CB VAL A 49 1.377 -3.106 2.731 1.00 0.00 C ATOM 633 CG1 VAL A 49 0.376 -3.946 3.503 1.00 0.00 C ATOM 634 CG2 VAL A 49 1.302 -1.651 3.172 1.00 0.00 C ATOM 0 H VAL A 49 3.334 -2.628 4.633 1.00 0.00 H new ATOM 0 HA VAL A 49 2.826 -4.708 2.606 1.00 0.00 H new ATOM 0 HB VAL A 49 1.119 -3.161 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.624 -3.533 3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.398 -4.971 3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.634 -3.938 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.282 -1.286 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.593 -1.573 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.977 -1.051 2.562 1.00 0.00 H new ATOM 644 N LYS A 50 3.442 -2.852 0.708 1.00 0.00 N ATOM 645 CA LYS A 50 4.132 -1.980 -0.217 1.00 0.00 C ATOM 646 C LYS A 50 3.157 -0.950 -0.763 1.00 0.00 C ATOM 647 O LYS A 50 2.122 -1.300 -1.329 1.00 0.00 O ATOM 648 CB LYS A 50 4.749 -2.771 -1.369 1.00 0.00 C ATOM 649 CG LYS A 50 5.530 -1.893 -2.331 1.00 0.00 C ATOM 650 CD LYS A 50 6.133 -2.689 -3.472 1.00 0.00 C ATOM 651 CE LYS A 50 6.956 -1.793 -4.380 1.00 0.00 C ATOM 652 NZ LYS A 50 8.071 -1.143 -3.644 1.00 0.00 N ATOM 0 H LYS A 50 2.733 -3.449 0.282 1.00 0.00 H new ATOM 0 HA LYS A 50 4.939 -1.480 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.410 -3.538 -0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.959 -3.287 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.871 -1.124 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.324 -1.380 -1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.761 -3.485 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.340 -3.167 -4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.358 -2.381 -5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.314 -1.029 -4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.778 -0.795 -4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.702 -0.345 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.515 -1.834 -3.005 1.00 0.00 H new ATOM 666 N MET A 51 3.487 0.319 -0.591 1.00 0.00 N ATOM 667 CA MET A 51 2.639 1.394 -1.078 1.00 0.00 C ATOM 668 C MET A 51 3.425 2.277 -2.020 1.00 0.00 C ATOM 669 O MET A 51 4.411 2.898 -1.627 1.00 0.00 O ATOM 670 CB MET A 51 2.094 2.237 0.077 1.00 0.00 C ATOM 671 CG MET A 51 1.390 1.423 1.150 1.00 0.00 C ATOM 672 SD MET A 51 0.585 2.454 2.386 1.00 0.00 S ATOM 673 CE MET A 51 -0.526 3.391 1.344 1.00 0.00 C ATOM 0 H MET A 51 4.336 0.630 -0.118 1.00 0.00 H new ATOM 0 HA MET A 51 1.795 0.948 -1.605 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.917 2.788 0.533 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.398 2.976 -0.321 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.647 0.777 0.682 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.114 0.773 1.641 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.162 4.414 1.252 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.572 2.932 0.356 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.522 3.398 1.788 1.00 0.00 H new ATOM 683 N ILE A 52 3.001 2.319 -3.267 1.00 0.00 N ATOM 684 CA ILE A 52 3.679 3.131 -4.252 1.00 0.00 C ATOM 685 C ILE A 52 2.849 4.366 -4.605 1.00 0.00 C ATOM 686 O ILE A 52 1.802 4.275 -5.251 1.00 0.00 O ATOM 687 CB ILE A 52 4.025 2.320 -5.527 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.611 3.241 -6.605 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.806 1.572 -6.046 1.00 0.00 C ATOM 690 CD1 ILE A 52 4.986 2.524 -7.886 1.00 0.00 C ATOM 0 H ILE A 52 2.195 1.803 -3.619 1.00 0.00 H new ATOM 0 HA ILE A 52 4.618 3.461 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 52 4.780 1.578 -5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.886 4.022 -6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.496 3.736 -6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.077 1.011 -6.941 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.449 0.883 -5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.018 2.285 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.393 3.241 -8.599 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.735 1.762 -7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.100 2.052 -8.311 1.00 0.00 H new ATOM 702 N LEU A 53 3.306 5.513 -4.126 1.00 0.00 N ATOM 703 CA LEU A 53 2.724 6.790 -4.509 1.00 0.00 C ATOM 704 C LEU A 53 3.318 7.230 -5.838 1.00 0.00 C ATOM 705 O LEU A 53 4.464 7.675 -5.893 1.00 0.00 O ATOM 706 CB LEU A 53 3.000 7.863 -3.439 1.00 0.00 C ATOM 707 CG LEU A 53 1.938 8.024 -2.342 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.570 8.288 -2.951 1.00 0.00 C ATOM 709 CD2 LEU A 53 1.898 6.807 -1.433 1.00 0.00 C ATOM 0 H LEU A 53 4.082 5.585 -3.468 1.00 0.00 H new ATOM 0 HA LEU A 53 1.645 6.670 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.952 7.632 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.120 8.823 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 53 2.214 8.886 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.167 8.399 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.606 9.203 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.290 7.452 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.137 6.950 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.658 5.921 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.870 6.675 -0.958 1.00 0.00 H new ATOM 721 N ILE A 54 2.555 7.082 -6.910 1.00 0.00 N ATOM 722 CA ILE A 54 3.018 7.495 -8.222 1.00 0.00 C ATOM 723 C ILE A 54 2.820 8.997 -8.390 1.00 0.00 C ATOM 724 O ILE A 54 1.764 9.456 -8.824 1.00 0.00 O ATOM 725 CB ILE A 54 2.290 6.735 -9.353 1.00 0.00 C ATOM 726 CG1 ILE A 54 2.462 5.222 -9.169 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.825 7.166 -10.712 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.704 4.394 -10.185 1.00 0.00 C ATOM 0 H ILE A 54 1.617 6.681 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 54 4.079 7.254 -8.293 1.00 0.00 H new ATOM 0 HB ILE A 54 1.228 6.975 -9.307 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.522 4.976 -9.231 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.129 4.947 -8.168 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.302 6.622 -11.498 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.665 8.236 -10.843 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.892 6.949 -10.768 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.874 3.335 -9.991 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.638 4.610 -10.109 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.053 4.640 -11.188 1.00 0.00 H new ATOM 740 N GLN A 55 3.830 9.758 -8.005 1.00 0.00 N ATOM 741 CA GLN A 55 3.772 11.207 -8.115 1.00 0.00 C ATOM 742 C GLN A 55 4.622 11.692 -9.284 1.00 0.00 C ATOM 743 O GLN A 55 4.202 12.548 -10.058 1.00 0.00 O ATOM 744 CB GLN A 55 4.223 11.889 -6.810 1.00 0.00 C ATOM 745 CG GLN A 55 4.674 10.942 -5.695 1.00 0.00 C ATOM 746 CD GLN A 55 6.064 10.360 -5.909 1.00 0.00 C ATOM 747 OE1 GLN A 55 6.492 10.123 -7.035 1.00 0.00 O ATOM 748 NE2 GLN A 55 6.787 10.142 -4.825 1.00 0.00 N ATOM 0 H GLN A 55 4.700 9.398 -7.613 1.00 0.00 H new ATOM 0 HA GLN A 55 2.733 11.482 -8.297 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.044 12.569 -7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.400 12.498 -6.435 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.657 11.478 -4.746 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.957 10.125 -5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.401 10.350 -3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.731 9.766 -4.909 1.00 0.00 H new ATOM 862 N ASP A 64 -4.727 13.749 -9.870 1.00 0.00 N ATOM 863 CA ASP A 64 -4.771 12.821 -8.741 1.00 0.00 C ATOM 864 C ASP A 64 -3.705 11.745 -8.884 1.00 0.00 C ATOM 865 O ASP A 64 -3.389 11.315 -9.987 1.00 0.00 O ATOM 866 CB ASP A 64 -6.145 12.156 -8.645 1.00 0.00 C ATOM 867 CG ASP A 64 -7.280 13.154 -8.551 1.00 0.00 C ATOM 868 OD1 ASP A 64 -7.715 13.661 -9.608 1.00 0.00 O ATOM 869 OD2 ASP A 64 -7.744 13.437 -7.428 1.00 0.00 O ATOM 0 HA ASP A 64 -4.582 13.394 -7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.297 11.522 -9.518 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.167 11.505 -7.771 1.00 0.00 H new ATOM 874 N LYS A 65 -3.190 11.288 -7.761 1.00 0.00 N ATOM 875 CA LYS A 65 -2.029 10.408 -7.748 1.00 0.00 C ATOM 876 C LYS A 65 -2.440 8.950 -7.656 1.00 0.00 C ATOM 877 O LYS A 65 -3.213 8.572 -6.776 1.00 0.00 O ATOM 878 CB LYS A 65 -1.119 10.751 -6.570 1.00 0.00 C ATOM 879 CG LYS A 65 -0.742 12.220 -6.518 1.00 0.00 C ATOM 880 CD LYS A 65 -0.023 12.647 -7.784 1.00 0.00 C ATOM 881 CE LYS A 65 0.089 14.158 -7.870 1.00 0.00 C ATOM 882 NZ LYS A 65 0.639 14.596 -9.178 1.00 0.00 N ATOM 0 H LYS A 65 -3.557 11.511 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.492 10.558 -8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.619 10.477 -5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.211 10.151 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.640 12.824 -6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.103 12.404 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.973 12.204 -7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.559 12.270 -8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.894 14.605 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.729 14.521 -7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.700 15.634 -9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.588 14.190 -9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.015 14.271 -9.944 1.00 0.00 H new ATOM 896 N PRO A 66 -1.939 8.121 -8.579 1.00 0.00 N ATOM 897 CA PRO A 66 -2.148 6.675 -8.546 1.00 0.00 C ATOM 898 C PRO A 66 -1.421 6.031 -7.368 1.00 0.00 C ATOM 899 O PRO A 66 -0.189 5.965 -7.344 1.00 0.00 O ATOM 900 CB PRO A 66 -1.552 6.186 -9.873 1.00 0.00 C ATOM 901 CG PRO A 66 -1.398 7.411 -10.710 1.00 0.00 C ATOM 902 CD PRO A 66 -1.140 8.526 -9.743 1.00 0.00 C ATOM 0 HA PRO A 66 -3.200 6.415 -8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.592 5.694 -9.716 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.207 5.460 -10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.573 7.304 -11.415 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.296 7.601 -11.297 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.082 8.616 -9.499 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.458 9.490 -10.139 1.00 0.00 H new ATOM 910 N LEU A 67 -2.183 5.580 -6.387 1.00 0.00 N ATOM 911 CA LEU A 67 -1.619 4.914 -5.223 1.00 0.00 C ATOM 912 C LEU A 67 -1.959 3.436 -5.245 1.00 0.00 C ATOM 913 O LEU A 67 -3.130 3.067 -5.204 1.00 0.00 O ATOM 914 CB LEU A 67 -2.138 5.550 -3.926 1.00 0.00 C ATOM 915 CG LEU A 67 -1.888 4.731 -2.652 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.402 4.510 -2.428 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.509 5.414 -1.444 1.00 0.00 C ATOM 0 H LEU A 67 -3.200 5.663 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.536 5.031 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.672 6.528 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.210 5.718 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.361 3.758 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.254 3.927 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.018 3.971 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.098 5.473 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.320 4.817 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.068 6.403 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.584 5.512 -1.594 1.00 0.00 H new ATOM 929 N ARG A 68 -0.939 2.597 -5.324 1.00 0.00 N ATOM 930 CA ARG A 68 -1.138 1.160 -5.256 1.00 0.00 C ATOM 931 C ARG A 68 -0.662 0.607 -3.926 1.00 0.00 C ATOM 932 O ARG A 68 0.533 0.633 -3.622 1.00 0.00 O ATOM 933 CB ARG A 68 -0.421 0.438 -6.396 1.00 0.00 C ATOM 934 CG ARG A 68 -1.131 0.561 -7.726 1.00 0.00 C ATOM 935 CD ARG A 68 -0.518 -0.341 -8.782 1.00 0.00 C ATOM 936 NE ARG A 68 -1.279 -0.294 -10.029 1.00 0.00 N ATOM 937 CZ ARG A 68 -1.067 -1.091 -11.074 1.00 0.00 C ATOM 938 NH1 ARG A 68 -0.092 -1.994 -11.044 1.00 0.00 N ATOM 939 NH2 ARG A 68 -1.843 -0.986 -12.143 1.00 0.00 N ATOM 0 H ARG A 68 0.033 2.886 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.209 0.983 -5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.588 0.839 -6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.321 -0.617 -6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.184 0.308 -7.600 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.090 1.596 -8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.511 -0.036 -8.970 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.484 -1.366 -8.413 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.025 0.398 -10.104 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.499 -2.079 -10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.065 -2.602 -11.848 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.596 -0.298 -12.161 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.687 -1.593 -12.948 1.00 0.00 H new ATOM 953 N ILE A 69 -1.605 0.130 -3.133 1.00 0.00 N ATOM 954 CA ILE A 69 -1.288 -0.579 -1.908 1.00 0.00 C ATOM 955 C ILE A 69 -1.293 -2.069 -2.214 1.00 0.00 C ATOM 956 O ILE A 69 -2.347 -2.643 -2.492 1.00 0.00 O ATOM 957 CB ILE A 69 -2.296 -0.291 -0.765 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.516 1.213 -0.574 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.805 -0.911 0.536 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.555 1.806 -1.500 1.00 0.00 C ATOM 0 H ILE A 69 -2.604 0.222 -3.318 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.312 -0.238 -1.562 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.250 -0.739 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.816 1.398 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.569 1.731 -0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.521 -0.702 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.706 -1.989 0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.836 -0.486 0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.652 2.873 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.248 1.655 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.514 1.317 -1.331 1.00 0.00 H new ATOM 972 N ILE A 70 -0.120 -2.683 -2.199 1.00 0.00 N ATOM 973 CA ILE A 70 0.025 -4.057 -2.660 1.00 0.00 C ATOM 974 C ILE A 70 0.365 -4.999 -1.511 1.00 0.00 C ATOM 975 O ILE A 70 1.254 -4.709 -0.704 1.00 0.00 O ATOM 976 CB ILE A 70 1.132 -4.161 -3.732 1.00 0.00 C ATOM 977 CG1 ILE A 70 0.948 -3.078 -4.802 1.00 0.00 C ATOM 978 CG2 ILE A 70 1.121 -5.541 -4.370 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.034 -3.069 -5.859 1.00 0.00 C ATOM 0 H ILE A 70 0.745 -2.253 -1.873 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.933 -4.351 -3.089 1.00 0.00 H new ATOM 0 HB ILE A 70 2.097 -4.008 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.017 -3.221 -5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.919 -2.103 -4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.906 -5.600 -5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.295 -6.297 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.153 -5.717 -4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.834 -2.276 -6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.000 -2.894 -5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.050 -4.030 -6.373 1.00 0.00 H new ATOM 991 N GLY A 71 -0.352 -6.115 -1.437 1.00 0.00 N ATOM 992 CA GLY A 71 -0.029 -7.136 -0.467 1.00 0.00 C ATOM 993 C GLY A 71 -1.232 -7.938 -0.003 1.00 0.00 C ATOM 994 O GLY A 71 -2.062 -8.364 -0.808 1.00 0.00 O ATOM 0 H GLY A 71 -1.151 -6.328 -2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.705 -7.816 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.440 -6.668 0.398 1.00 0.00 H new ATOM 998 N ASP A 72 -1.306 -8.136 1.303 1.00 0.00 N ATOM 999 CA ASP A 72 -2.354 -8.930 1.939 1.00 0.00 C ATOM 1000 C ASP A 72 -3.646 -8.133 2.093 1.00 0.00 C ATOM 1001 O ASP A 72 -3.618 -6.958 2.453 1.00 0.00 O ATOM 1002 CB ASP A 72 -1.851 -9.391 3.308 1.00 0.00 C ATOM 1003 CG ASP A 72 -2.957 -9.648 4.309 1.00 0.00 C ATOM 1004 OD1 ASP A 72 -3.589 -10.719 4.255 1.00 0.00 O ATOM 1005 OD2 ASP A 72 -3.183 -8.773 5.166 1.00 0.00 O ATOM 0 H ASP A 72 -0.633 -7.746 1.963 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.579 -9.790 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.268 -10.303 3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.177 -8.635 3.711 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.799 -8.787 1.838 1.00 0.00 N ATOM 1011 CA PRO A 73 -6.120 -8.142 1.852 1.00 0.00 C ATOM 1012 C PRO A 73 -6.474 -7.489 3.188 1.00 0.00 C ATOM 1013 O PRO A 73 -7.373 -6.651 3.254 1.00 0.00 O ATOM 1014 CB PRO A 73 -7.098 -9.288 1.566 1.00 0.00 C ATOM 1015 CG PRO A 73 -6.281 -10.373 0.958 1.00 0.00 C ATOM 1016 CD PRO A 73 -4.896 -10.223 1.515 1.00 0.00 C ATOM 0 HA PRO A 73 -6.151 -7.329 1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.581 -9.628 2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.889 -8.967 0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.693 -11.352 1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.274 -10.291 -0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.752 -10.843 2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.139 -10.522 0.790 1.00 0.00 H new ATOM 1024 N TYR A 74 -5.784 -7.879 4.250 1.00 0.00 N ATOM 1025 CA TYR A 74 -6.045 -7.334 5.573 1.00 0.00 C ATOM 1026 C TYR A 74 -5.254 -6.045 5.787 1.00 0.00 C ATOM 1027 O TYR A 74 -5.836 -4.991 6.055 1.00 0.00 O ATOM 1028 CB TYR A 74 -5.708 -8.386 6.637 1.00 0.00 C ATOM 1029 CG TYR A 74 -5.766 -7.905 8.069 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -6.937 -7.392 8.612 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -4.647 -7.996 8.885 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -6.989 -6.980 9.930 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -4.688 -7.586 10.200 1.00 0.00 C ATOM 1034 CZ TYR A 74 -5.859 -7.079 10.721 1.00 0.00 C ATOM 1035 OH TYR A 74 -5.898 -6.673 12.037 1.00 0.00 O ATOM 0 H TYR A 74 -5.037 -8.573 4.220 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.102 -7.084 5.660 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.396 -9.224 6.525 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.706 -8.768 6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.820 -7.314 7.995 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.728 -8.395 8.482 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.906 -6.583 10.340 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.807 -7.662 10.820 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.020 -6.812 12.448 1.00 0.00 H new ATOM 1045 N LYS A 75 -3.931 -6.114 5.638 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.090 -4.933 5.829 1.00 0.00 C ATOM 1047 C LYS A 75 -3.276 -3.914 4.718 1.00 0.00 C ATOM 1048 O LYS A 75 -3.178 -2.717 4.966 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.606 -5.288 5.971 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.136 -6.433 5.098 1.00 0.00 C ATOM 1051 CD LYS A 75 0.294 -6.825 5.445 1.00 0.00 C ATOM 1052 CE LYS A 75 0.829 -7.905 4.524 1.00 0.00 C ATOM 1053 NZ LYS A 75 2.275 -8.169 4.754 1.00 0.00 N ATOM 0 H LYS A 75 -3.424 -6.963 5.389 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.420 -4.484 6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.012 -4.404 5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.406 -5.539 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.795 -7.291 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.194 -6.144 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.936 -5.946 5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.333 -7.176 6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.264 -8.824 4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.676 -7.606 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.616 -8.864 4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.810 -7.284 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.411 -8.544 5.714 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.552 -4.371 3.503 1.00 0.00 N ATOM 1068 CA VAL A 76 -3.809 -3.453 2.397 1.00 0.00 C ATOM 1069 C VAL A 76 -5.059 -2.624 2.680 1.00 0.00 C ATOM 1070 O VAL A 76 -5.109 -1.430 2.383 1.00 0.00 O ATOM 1071 CB VAL A 76 -3.956 -4.202 1.049 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.520 -3.293 -0.035 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -2.610 -4.760 0.613 1.00 0.00 C ATOM 0 H VAL A 76 -3.604 -5.360 3.258 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.949 -2.789 2.312 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.658 -5.023 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.610 -3.851 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.503 -2.932 0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.852 -2.445 -0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.724 -5.285 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.899 -3.943 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.241 -5.453 1.369 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.038 -3.253 3.314 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.293 -2.602 3.614 1.00 0.00 C ATOM 1085 C GLN A 77 -7.082 -1.601 4.742 1.00 0.00 C ATOM 1086 O GLN A 77 -7.542 -0.462 4.666 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.338 -3.657 3.989 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.765 -3.291 3.607 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.420 -2.354 4.597 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -10.265 -1.060 4.380 1.00 0.00 O flip ATOM 1091 NE2 GLN A 77 -11.064 -2.795 5.552 1.00 0.00 N flip ATOM 0 H GLN A 77 -5.981 -4.221 3.630 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.657 -2.061 2.741 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.076 -4.598 3.506 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.295 -3.827 5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.763 -2.826 2.621 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.359 -4.201 3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.158 -3.802 5.682 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.502 -2.152 6.212 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.347 -2.017 5.772 1.00 0.00 N ATOM 1101 CA GLN A 78 -6.025 -1.124 6.880 1.00 0.00 C ATOM 1102 C GLN A 78 -5.195 0.054 6.392 1.00 0.00 C ATOM 1103 O GLN A 78 -5.458 1.201 6.745 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.253 -1.854 7.977 1.00 0.00 C ATOM 1105 CG GLN A 78 -6.038 -2.954 8.665 1.00 0.00 C ATOM 1106 CD GLN A 78 -5.318 -3.487 9.886 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -4.519 -4.418 9.797 1.00 0.00 O ATOM 1108 NE2 GLN A 78 -5.586 -2.889 11.036 1.00 0.00 N ATOM 0 H GLN A 78 -5.967 -2.959 5.861 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.969 -0.765 7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.349 -2.284 7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.934 -1.128 8.725 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.016 -2.572 8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.212 -3.769 7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.255 -2.120 11.067 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.123 -3.197 11.891 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.197 -0.245 5.573 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.308 0.770 5.039 1.00 0.00 C ATOM 1119 C ALA A 79 -4.074 1.752 4.157 1.00 0.00 C ATOM 1120 O ALA A 79 -3.782 2.948 4.143 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.179 0.104 4.269 1.00 0.00 C ATOM 0 H ALA A 79 -3.984 -1.193 5.263 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.880 1.339 5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.512 0.867 3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.620 -0.552 4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.594 -0.482 3.449 1.00 0.00 H new ATOM 1127 N CYS A 80 -5.063 1.237 3.435 1.00 0.00 N ATOM 1128 CA CYS A 80 -5.928 2.071 2.615 1.00 0.00 C ATOM 1129 C CYS A 80 -6.766 2.991 3.491 1.00 0.00 C ATOM 1130 O CYS A 80 -6.868 4.183 3.218 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.828 1.197 1.734 1.00 0.00 C ATOM 1132 SG CYS A 80 -7.886 2.123 0.600 1.00 0.00 S ATOM 0 H CYS A 80 -5.285 0.242 3.402 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.305 2.689 1.968 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.201 0.519 1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.456 0.580 2.376 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.020 3.342 1.030 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.347 2.443 4.551 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.098 3.249 5.506 1.00 0.00 C ATOM 1140 C GLU A 81 -7.199 4.309 6.112 1.00 0.00 C ATOM 1141 O GLU A 81 -7.587 5.462 6.264 1.00 0.00 O ATOM 1142 CB GLU A 81 -8.670 2.385 6.624 1.00 0.00 C ATOM 1143 CG GLU A 81 -9.739 1.421 6.163 1.00 0.00 C ATOM 1144 CD GLU A 81 -10.500 0.819 7.325 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -11.018 1.589 8.162 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -10.593 -0.420 7.403 1.00 0.00 O ATOM 0 H GLU A 81 -7.313 1.448 4.771 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.921 3.721 4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.860 1.821 7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.086 3.033 7.395 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.435 1.940 5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.280 0.624 5.578 1.00 0.00 H new ATOM 1153 N MET A 82 -5.993 3.890 6.437 1.00 0.00 N ATOM 1154 CA MET A 82 -4.994 4.758 7.041 1.00 0.00 C ATOM 1155 C MET A 82 -4.718 5.985 6.174 1.00 0.00 C ATOM 1156 O MET A 82 -4.756 7.114 6.662 1.00 0.00 O ATOM 1157 CB MET A 82 -3.702 3.975 7.279 1.00 0.00 C ATOM 1158 CG MET A 82 -2.543 4.820 7.777 1.00 0.00 C ATOM 1159 SD MET A 82 -1.084 3.830 8.155 1.00 0.00 S ATOM 1160 CE MET A 82 -0.833 2.972 6.601 1.00 0.00 C ATOM 0 H MET A 82 -5.673 2.933 6.290 1.00 0.00 H new ATOM 0 HA MET A 82 -5.385 5.110 7.996 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.898 3.185 8.004 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.409 3.489 6.349 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.288 5.564 7.022 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.851 5.364 8.670 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.226 2.986 6.345 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.170 1.940 6.697 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.403 3.468 5.815 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.463 5.771 4.891 1.00 0.00 N ATOM 1171 CA VAL A 83 -4.118 6.874 4.003 1.00 0.00 C ATOM 1172 C VAL A 83 -5.361 7.636 3.566 1.00 0.00 C ATOM 1173 O VAL A 83 -5.321 8.852 3.382 1.00 0.00 O ATOM 1174 CB VAL A 83 -3.325 6.398 2.769 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -2.020 5.766 3.208 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -4.132 5.418 1.930 1.00 0.00 C ATOM 0 H VAL A 83 -4.488 4.854 4.444 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.476 7.546 4.572 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.113 7.267 2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.465 5.432 2.332 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.427 6.499 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.228 4.912 3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.542 5.104 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.386 4.546 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.047 5.901 1.586 1.00 0.00 H new ATOM 1186 N MET A 84 -6.466 6.919 3.419 1.00 0.00 N ATOM 1187 CA MET A 84 -7.736 7.542 3.093 1.00 0.00 C ATOM 1188 C MET A 84 -8.150 8.470 4.220 1.00 0.00 C ATOM 1189 O MET A 84 -8.668 9.554 3.981 1.00 0.00 O ATOM 1190 CB MET A 84 -8.811 6.476 2.871 1.00 0.00 C ATOM 1191 CG MET A 84 -10.156 7.039 2.452 1.00 0.00 C ATOM 1192 SD MET A 84 -11.423 5.762 2.289 1.00 0.00 S ATOM 1193 CE MET A 84 -11.535 5.175 3.980 1.00 0.00 C ATOM 0 H MET A 84 -6.506 5.905 3.521 1.00 0.00 H new ATOM 0 HA MET A 84 -7.624 8.117 2.174 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.466 5.779 2.107 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.938 5.904 3.790 1.00 0.00 H new ATOM 0 HG2 MET A 84 -10.481 7.777 3.185 1.00 0.00 H new ATOM 0 HG3 MET A 84 -10.047 7.561 1.501 1.00 0.00 H new ATOM 0 HE1 MET A 84 -12.582 5.038 4.249 1.00 0.00 H new ATOM 0 HE2 MET A 84 -11.010 4.224 4.071 1.00 0.00 H new ATOM 0 HE3 MET A 84 -11.081 5.905 4.650 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.893 8.042 5.451 1.00 0.00 N ATOM 1204 CA ASP A 85 -8.211 8.851 6.627 1.00 0.00 C ATOM 1205 C ASP A 85 -7.438 10.167 6.621 1.00 0.00 C ATOM 1206 O ASP A 85 -7.974 11.207 6.987 1.00 0.00 O ATOM 1207 CB ASP A 85 -7.912 8.080 7.913 1.00 0.00 C ATOM 1208 CG ASP A 85 -8.157 8.910 9.158 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -9.330 9.064 9.554 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -7.176 9.406 9.752 1.00 0.00 O ATOM 0 H ASP A 85 -7.466 7.140 5.663 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.277 9.077 6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.533 7.185 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.874 7.747 7.900 1.00 0.00 H new ATOM 1215 N ILE A 86 -6.184 10.119 6.185 1.00 0.00 N ATOM 1216 CA ILE A 86 -5.350 11.316 6.127 1.00 0.00 C ATOM 1217 C ILE A 86 -5.926 12.321 5.131 1.00 0.00 C ATOM 1218 O ILE A 86 -5.799 13.532 5.298 1.00 0.00 O ATOM 1219 CB ILE A 86 -3.896 10.977 5.726 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -3.340 9.864 6.620 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -3.015 12.215 5.822 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -1.930 9.436 6.261 1.00 0.00 C ATOM 0 H ILE A 86 -5.723 9.267 5.867 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.341 11.753 7.126 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.897 10.628 4.693 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.354 10.202 7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.999 8.998 6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.995 11.959 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.396 12.986 5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.022 12.588 6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.606 8.645 6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.912 9.066 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.257 10.289 6.351 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.576 11.804 4.099 1.00 0.00 N ATOM 1235 CA LEU A 87 -7.171 12.645 3.072 1.00 0.00 C ATOM 1236 C LEU A 87 -8.593 13.042 3.462 1.00 0.00 C ATOM 1237 O LEU A 87 -9.149 14.008 2.941 1.00 0.00 O ATOM 1238 CB LEU A 87 -7.189 11.903 1.733 1.00 0.00 C ATOM 1239 CG LEU A 87 -5.851 11.298 1.302 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -5.989 10.621 -0.049 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -4.763 12.362 1.261 1.00 0.00 C ATOM 0 H LEU A 87 -6.705 10.803 3.951 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.570 13.549 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -7.929 11.104 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.523 12.593 0.958 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.561 10.548 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.029 10.195 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.733 9.827 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.304 11.353 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.821 11.908 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.041 13.140 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.646 12.801 2.252 1.00 0.00 H new ATOM 1253 N ARG A 88 -9.161 12.293 4.395 1.00 0.00 N ATOM 1254 CA ARG A 88 -10.537 12.492 4.830 1.00 0.00 C ATOM 1255 C ARG A 88 -10.583 13.344 6.096 1.00 0.00 C ATOM 1256 O ARG A 88 -11.649 13.739 6.572 1.00 0.00 O ATOM 1257 CB ARG A 88 -11.189 11.117 5.043 1.00 0.00 C ATOM 1258 CG ARG A 88 -12.568 11.137 5.679 1.00 0.00 C ATOM 1259 CD ARG A 88 -13.218 9.765 5.599 1.00 0.00 C ATOM 1260 NE ARG A 88 -14.316 9.609 6.550 1.00 0.00 N ATOM 1261 CZ ARG A 88 -15.598 9.830 6.262 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -15.946 10.301 5.068 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -16.528 9.589 7.177 1.00 0.00 N ATOM 0 H ARG A 88 -8.682 11.530 4.873 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.096 13.032 4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.261 10.615 4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -10.529 10.515 5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.489 11.447 6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.196 11.872 5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.592 9.602 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.466 8.999 5.788 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.086 9.311 7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.230 10.495 4.368 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.929 10.468 4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.260 9.236 8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.511 9.757 6.962 1.00 0.00 H new ATOM 1277 N GLU A 89 -9.416 13.657 6.605 1.00 0.00 N ATOM 1278 CA GLU A 89 -9.301 14.439 7.822 1.00 0.00 C ATOM 1279 C GLU A 89 -9.049 15.906 7.490 1.00 0.00 C ATOM 1280 O GLU A 89 -10.032 16.671 7.416 1.00 0.00 O ATOM 1281 CB GLU A 89 -8.182 13.876 8.701 1.00 0.00 C ATOM 1282 CG GLU A 89 -8.116 14.497 10.088 1.00 0.00 C ATOM 1283 CD GLU A 89 -9.444 14.443 10.813 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -10.048 13.355 10.877 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -9.885 15.492 11.329 1.00 0.00 O ATOM 1286 OXT GLU A 89 -7.875 16.284 7.286 1.00 0.00 O ATOM 0 H GLU A 89 -8.524 13.382 6.195 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.238 14.376 8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.319 12.799 8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.227 14.030 8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.362 13.978 10.679 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.795 15.535 10.003 1.00 0.00 H new