USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 524 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 75 TYR OH : rot -121:sc= 0.288 USER MOD Set 1.2: A 79 ASN : amide:sc= -2.13 X(o=-1.8,f=-1.7) USER MOD Set 2.1: A 66 THR OG1 : rot 121:sc= -0.904 USER MOD Set 2.2: A 69 GLN : amide:sc= -0.602 K(o=-1.5,f=-4.2!) USER MOD Set 3.1: A 67 GLN :FLIP amide:sc= -2.85! C(o=-4.7!,f=-2.8!) USER MOD Set 3.2: A 71 GLN :FLIP amide:sc= 0.0359 F(o=-5.8,f=-2.8) USER MOD Set 4.1: A 34 GLN : amide:sc= 0.519 K(o=-7.8,f=-20!) USER MOD Set 4.2: A 37 LYS NZ :NH3+ -126:sc= -1.86 (180deg=-5.08!) USER MOD Set 4.3: A 38 GLN :FLIP amide:sc= -6.44! C(o=-13!,f=-7.8!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 140:sc= -0.19 (180deg=-1.41!) USER MOD Single : A 27 SER OG : rot -24:sc= 0.473 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=-0.43) USER MOD Single : A 43 SER OG : rot 114:sc= 0.236 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.302 K(o=-0.3,f=-3.8!) USER MOD Single : A 74 GLN : amide:sc= -0.42 K(o=-0.42,f=-5!) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 80 SER OG : rot -37:sc= 0.249 USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 13 15.765 -2.012 -5.538 1.00 0.00 N ATOM 148 CA ILE A 13 14.278 -1.937 -5.483 1.00 0.00 C ATOM 149 C ILE A 13 13.743 -3.205 -4.813 1.00 0.00 C ATOM 150 O ILE A 13 14.246 -4.288 -5.037 1.00 0.00 O ATOM 151 CB ILE A 13 13.722 -1.834 -6.908 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.452 -0.719 -7.670 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.223 -1.524 -6.865 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.423 0.584 -6.863 1.00 0.00 C ATOM 0 HA ILE A 13 13.969 -1.061 -4.912 1.00 0.00 H new ATOM 0 HB ILE A 13 13.877 -2.785 -7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.484 -1.014 -7.860 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.981 -0.564 -8.641 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.837 -1.453 -7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.702 -2.321 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.062 -0.578 -6.349 1.00 0.00 H new ATOM 0 HD11 ILE A 13 14.944 1.366 -7.415 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.389 0.886 -6.696 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.915 0.428 -5.903 1.00 0.00 H new ATOM 166 N ILE A 14 12.748 -3.077 -3.972 1.00 0.00 N ATOM 167 CA ILE A 14 12.187 -4.263 -3.251 1.00 0.00 C ATOM 168 C ILE A 14 10.683 -4.362 -3.509 1.00 0.00 C ATOM 169 O ILE A 14 10.013 -3.364 -3.682 1.00 0.00 O ATOM 170 CB ILE A 14 12.430 -4.064 -1.752 1.00 0.00 C ATOM 171 CG1 ILE A 14 13.936 -3.973 -1.498 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.854 -5.241 -0.961 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.185 -3.529 -0.058 1.00 0.00 C ATOM 0 H ILE A 14 12.294 -2.191 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 14 12.667 -5.177 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 14 11.939 -3.146 -1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.405 -4.941 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.390 -3.265 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.034 -5.087 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.781 -5.311 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.336 -6.165 -1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.258 -3.464 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.730 -2.552 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.745 -4.253 0.627 1.00 0.00 H new ATOM 185 N THR A 15 10.141 -5.556 -3.513 1.00 0.00 N ATOM 186 CA THR A 15 8.675 -5.740 -3.730 1.00 0.00 C ATOM 187 C THR A 15 8.129 -6.589 -2.582 1.00 0.00 C ATOM 188 O THR A 15 8.733 -7.559 -2.171 1.00 0.00 O ATOM 189 CB THR A 15 8.436 -6.466 -5.058 1.00 0.00 C ATOM 190 OG1 THR A 15 9.308 -5.938 -6.048 1.00 0.00 O ATOM 191 CG2 THR A 15 6.984 -6.270 -5.498 1.00 0.00 C ATOM 0 H THR A 15 10.662 -6.422 -3.373 1.00 0.00 H new ATOM 0 HA THR A 15 8.175 -4.772 -3.762 1.00 0.00 H new ATOM 0 HB THR A 15 8.632 -7.530 -4.929 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.158 -6.403 -6.898 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.817 -6.787 -6.443 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.316 -6.676 -4.739 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.783 -5.206 -5.626 1.00 0.00 H new ATOM 199 N THR A 16 6.990 -6.227 -2.065 1.00 0.00 N ATOM 200 CA THR A 16 6.382 -7.000 -0.938 1.00 0.00 C ATOM 201 C THR A 16 4.875 -7.096 -1.169 1.00 0.00 C ATOM 202 O THR A 16 4.278 -6.175 -1.690 1.00 0.00 O ATOM 203 CB THR A 16 6.659 -6.275 0.385 1.00 0.00 C ATOM 204 OG1 THR A 16 6.025 -6.974 1.447 1.00 0.00 O ATOM 205 CG2 THR A 16 6.117 -4.845 0.320 1.00 0.00 C ATOM 0 H THR A 16 6.446 -5.422 -2.375 1.00 0.00 H new ATOM 0 HA THR A 16 6.813 -8.000 -0.893 1.00 0.00 H new ATOM 0 HB THR A 16 7.735 -6.242 0.558 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.202 -6.513 2.294 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.318 -4.337 1.263 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.605 -4.307 -0.493 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.042 -4.871 0.143 1.00 0.00 H new ATOM 213 N GLN A 17 4.248 -8.192 -0.796 1.00 0.00 N ATOM 214 CA GLN A 17 2.765 -8.321 -1.015 1.00 0.00 C ATOM 215 C GLN A 17 2.036 -8.294 0.327 1.00 0.00 C ATOM 216 O GLN A 17 2.527 -8.788 1.323 1.00 0.00 O ATOM 217 CB GLN A 17 2.457 -9.632 -1.743 1.00 0.00 C ATOM 218 CG GLN A 17 3.079 -9.603 -3.140 1.00 0.00 C ATOM 219 CD GLN A 17 2.993 -10.997 -3.767 1.00 0.00 C ATOM 220 OE1 GLN A 17 2.873 -11.983 -3.067 1.00 0.00 O ATOM 221 NE2 GLN A 17 3.048 -11.121 -5.064 1.00 0.00 N ATOM 0 H GLN A 17 4.693 -8.996 -0.354 1.00 0.00 H new ATOM 0 HA GLN A 17 2.424 -7.484 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.851 -10.475 -1.176 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.379 -9.774 -1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.559 -8.878 -3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.119 -9.283 -3.080 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.149 -10.293 -5.652 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.990 -12.046 -5.491 1.00 0.00 H new ATOM 230 N VAL A 18 0.862 -7.704 0.356 1.00 0.00 N ATOM 231 CA VAL A 18 0.068 -7.612 1.621 1.00 0.00 C ATOM 232 C VAL A 18 -1.319 -8.211 1.381 1.00 0.00 C ATOM 233 O VAL A 18 -1.855 -8.141 0.293 1.00 0.00 O ATOM 234 CB VAL A 18 -0.087 -6.129 1.994 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.467 -5.994 3.471 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.233 -5.400 1.741 1.00 0.00 C ATOM 0 H VAL A 18 0.416 -7.277 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 18 0.571 -8.152 2.423 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.874 -5.689 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.574 -4.939 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.411 -6.508 3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.313 -6.438 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.124 -4.348 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.018 -5.848 2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.499 -5.484 0.687 1.00 0.00 H new ATOM 246 N THR A 19 -1.906 -8.783 2.398 1.00 0.00 N ATOM 247 CA THR A 19 -3.272 -9.385 2.270 1.00 0.00 C ATOM 248 C THR A 19 -4.184 -8.704 3.293 1.00 0.00 C ATOM 249 O THR A 19 -3.847 -8.591 4.456 1.00 0.00 O ATOM 250 CB THR A 19 -3.193 -10.892 2.548 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.029 -11.421 1.932 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.432 -11.589 1.980 1.00 0.00 C ATOM 0 H THR A 19 -1.493 -8.861 3.327 1.00 0.00 H new ATOM 0 HA THR A 19 -3.667 -9.240 1.265 1.00 0.00 H new ATOM 0 HB THR A 19 -3.149 -11.060 3.624 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.974 -12.383 2.109 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.371 -12.659 2.180 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.327 -11.182 2.451 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.481 -11.423 0.904 1.00 0.00 H new ATOM 260 N ILE A 20 -5.328 -8.234 2.861 1.00 0.00 N ATOM 261 CA ILE A 20 -6.279 -7.531 3.788 1.00 0.00 C ATOM 262 C ILE A 20 -7.670 -8.197 3.680 1.00 0.00 C ATOM 263 O ILE A 20 -8.105 -8.500 2.587 1.00 0.00 O ATOM 264 CB ILE A 20 -6.395 -6.039 3.349 1.00 0.00 C ATOM 265 CG1 ILE A 20 -5.894 -5.868 1.901 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.550 -5.144 4.271 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.068 -4.414 1.436 1.00 0.00 C ATOM 0 H ILE A 20 -5.650 -8.306 1.896 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.917 -7.593 4.814 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.443 -5.748 3.413 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.844 -6.152 1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.445 -6.536 1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.641 -4.105 3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.904 -5.241 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.505 -5.450 4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.709 -4.314 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.123 -4.142 1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.496 -3.753 2.087 1.00 0.00 H new ATOM 279 N PRO A 21 -8.392 -8.404 4.763 1.00 0.00 N ATOM 280 CA PRO A 21 -9.747 -9.009 4.643 1.00 0.00 C ATOM 281 C PRO A 21 -10.641 -8.174 3.708 1.00 0.00 C ATOM 282 O PRO A 21 -10.512 -6.967 3.632 1.00 0.00 O ATOM 283 CB PRO A 21 -10.261 -9.003 6.097 1.00 0.00 C ATOM 284 CG PRO A 21 -9.155 -8.426 7.008 1.00 0.00 C ATOM 285 CD PRO A 21 -7.932 -8.070 6.141 1.00 0.00 C ATOM 0 HA PRO A 21 -9.743 -10.008 4.207 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.167 -8.403 6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.520 -10.014 6.411 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.519 -7.540 7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.878 -9.153 7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.664 -7.018 6.233 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.053 -8.649 6.425 1.00 0.00 H new ATOM 293 N LYS A 22 -11.516 -8.801 2.974 1.00 0.00 N ATOM 294 CA LYS A 22 -12.376 -8.044 2.026 1.00 0.00 C ATOM 295 C LYS A 22 -13.099 -6.885 2.730 1.00 0.00 C ATOM 296 O LYS A 22 -13.234 -5.811 2.179 1.00 0.00 O ATOM 297 CB LYS A 22 -13.403 -9.001 1.415 1.00 0.00 C ATOM 298 CG LYS A 22 -14.316 -8.226 0.467 1.00 0.00 C ATOM 299 CD LYS A 22 -15.173 -9.197 -0.361 1.00 0.00 C ATOM 300 CE LYS A 22 -16.363 -9.689 0.470 1.00 0.00 C ATOM 301 NZ LYS A 22 -17.166 -8.522 0.932 1.00 0.00 N ATOM 0 H LYS A 22 -11.673 -9.809 2.990 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.745 -7.618 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.896 -9.801 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.992 -9.471 2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.961 -7.557 1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.717 -7.602 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.530 -8.700 -1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.568 -10.045 -0.682 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.984 -10.358 -0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.009 -10.262 1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.179 -8.750 0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.924 -8.303 1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.957 -7.698 0.333 1.00 0.00 H new ATOM 315 N ASP A 23 -13.589 -7.091 3.922 1.00 0.00 N ATOM 316 CA ASP A 23 -14.327 -5.993 4.620 1.00 0.00 C ATOM 317 C ASP A 23 -13.415 -4.783 4.873 1.00 0.00 C ATOM 318 O ASP A 23 -13.786 -3.646 4.627 1.00 0.00 O ATOM 319 CB ASP A 23 -14.889 -6.509 5.947 1.00 0.00 C ATOM 320 CG ASP A 23 -13.820 -7.330 6.669 1.00 0.00 C ATOM 321 OD1 ASP A 23 -13.520 -8.417 6.201 1.00 0.00 O ATOM 322 OD2 ASP A 23 -13.319 -6.860 7.676 1.00 0.00 O ATOM 0 H ASP A 23 -13.513 -7.965 4.442 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.146 -5.670 3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.203 -5.672 6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.773 -7.121 5.766 1.00 0.00 H new ATOM 327 N LEU A 24 -12.213 -5.006 5.324 1.00 0.00 N ATOM 328 CA LEU A 24 -11.275 -3.878 5.562 1.00 0.00 C ATOM 329 C LEU A 24 -10.698 -3.447 4.219 1.00 0.00 C ATOM 330 O LEU A 24 -10.304 -2.313 4.030 1.00 0.00 O ATOM 331 CB LEU A 24 -10.127 -4.338 6.475 1.00 0.00 C ATOM 332 CG LEU A 24 -10.677 -4.943 7.780 1.00 0.00 C ATOM 333 CD1 LEU A 24 -9.515 -5.196 8.761 1.00 0.00 C ATOM 334 CD2 LEU A 24 -11.691 -3.981 8.423 1.00 0.00 C ATOM 0 H LEU A 24 -11.838 -5.930 5.539 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.802 -3.052 6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.516 -5.076 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.478 -3.493 6.705 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.175 -5.885 7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.905 -5.624 9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.804 -5.889 8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.013 -4.254 8.982 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.074 -4.419 9.345 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.202 -3.033 8.647 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.517 -3.809 7.733 1.00 0.00 H new ATOM 346 N ALA A 25 -10.643 -4.355 3.284 1.00 0.00 N ATOM 347 CA ALA A 25 -10.093 -4.021 1.948 1.00 0.00 C ATOM 348 C ALA A 25 -10.898 -2.879 1.343 1.00 0.00 C ATOM 349 O ALA A 25 -10.370 -1.989 0.711 1.00 0.00 O ATOM 350 CB ALA A 25 -10.219 -5.240 1.037 1.00 0.00 C ATOM 0 H ALA A 25 -10.958 -5.319 3.393 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.047 -3.730 2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.816 -5.002 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.662 -6.073 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.269 -5.516 0.942 1.00 0.00 H new ATOM 356 N ARG A 26 -12.191 -2.911 1.535 1.00 0.00 N ATOM 357 CA ARG A 26 -13.050 -1.838 0.971 1.00 0.00 C ATOM 358 C ARG A 26 -12.868 -0.577 1.803 1.00 0.00 C ATOM 359 O ARG A 26 -12.981 0.524 1.303 1.00 0.00 O ATOM 360 CB ARG A 26 -14.517 -2.274 0.978 1.00 0.00 C ATOM 361 CG ARG A 26 -14.687 -3.502 0.083 1.00 0.00 C ATOM 362 CD ARG A 26 -16.069 -4.114 0.315 1.00 0.00 C ATOM 363 NE ARG A 26 -17.104 -3.046 0.235 1.00 0.00 N ATOM 364 CZ ARG A 26 -18.363 -3.366 0.106 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.714 -4.622 0.048 1.00 0.00 N ATOM 366 NH2 ARG A 26 -19.270 -2.431 0.035 1.00 0.00 N ATOM 0 H ARG A 26 -12.685 -3.634 2.058 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.761 -1.640 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.834 -2.505 1.995 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.151 -1.461 0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.573 -3.221 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.911 -4.235 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.267 -4.884 -0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.105 -4.598 1.291 1.00 0.00 H new ATOM 0 HE ARG A 26 -16.829 -2.065 0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.005 -5.353 0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.698 -4.873 -0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -18.995 -1.450 0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -20.254 -2.681 -0.066 1.00 0.00 H new ATOM 380 N SER A 27 -12.578 -0.716 3.069 1.00 0.00 N ATOM 381 CA SER A 27 -12.381 0.489 3.917 1.00 0.00 C ATOM 382 C SER A 27 -11.064 1.171 3.530 1.00 0.00 C ATOM 383 O SER A 27 -10.889 2.356 3.738 1.00 0.00 O ATOM 384 CB SER A 27 -12.316 0.065 5.385 1.00 0.00 C ATOM 385 OG SER A 27 -11.177 -0.760 5.586 1.00 0.00 O ATOM 0 H SER A 27 -12.470 -1.610 3.549 1.00 0.00 H new ATOM 0 HA SER A 27 -13.210 1.182 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.260 0.944 6.027 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.223 -0.474 5.660 1.00 0.00 H new ATOM 0 HG SER A 27 -10.923 -1.179 4.737 1.00 0.00 H new ATOM 391 N ILE A 28 -10.111 0.429 3.013 1.00 0.00 N ATOM 392 CA ILE A 28 -8.790 1.038 2.673 1.00 0.00 C ATOM 393 C ILE A 28 -8.790 1.586 1.242 1.00 0.00 C ATOM 394 O ILE A 28 -8.288 2.661 0.976 1.00 0.00 O ATOM 395 CB ILE A 28 -7.716 -0.042 2.795 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.606 -0.499 4.252 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.373 0.515 2.331 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.845 -1.824 4.309 1.00 0.00 C ATOM 0 H ILE A 28 -10.193 -0.568 2.814 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.592 1.864 3.356 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.990 -0.892 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.089 0.256 4.844 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.600 -0.618 4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.609 -0.257 2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.450 0.832 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.099 1.369 2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.764 -2.153 5.345 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.381 -2.576 3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.847 -1.688 3.893 1.00 0.00 H new ATOM 410 N ILE A 29 -9.326 0.840 0.318 1.00 0.00 N ATOM 411 CA ILE A 29 -9.325 1.312 -1.096 1.00 0.00 C ATOM 412 C ILE A 29 -10.252 2.521 -1.237 1.00 0.00 C ATOM 413 O ILE A 29 -9.981 3.423 -1.996 1.00 0.00 O ATOM 414 CB ILE A 29 -9.783 0.178 -2.024 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.890 -1.058 -1.817 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.677 0.633 -3.483 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.571 -2.286 -2.420 1.00 0.00 C ATOM 0 H ILE A 29 -9.762 -0.069 0.477 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.314 1.608 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.817 -0.076 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.919 -0.901 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.709 -1.215 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.003 -0.173 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.311 1.506 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.642 0.890 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.938 -3.162 -2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.532 -2.446 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.729 -2.127 -3.487 1.00 0.00 H new ATOM 429 N GLY A 30 -11.348 2.559 -0.532 1.00 0.00 N ATOM 430 CA GLY A 30 -12.274 3.723 -0.671 1.00 0.00 C ATOM 431 C GLY A 30 -13.269 3.423 -1.794 1.00 0.00 C ATOM 432 O GLY A 30 -13.308 2.326 -2.318 1.00 0.00 O ATOM 0 H GLY A 30 -11.643 1.842 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.803 3.900 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.712 4.629 -0.896 1.00 0.00 H new ATOM 436 N LYS A 31 -14.076 4.380 -2.172 1.00 0.00 N ATOM 437 CA LYS A 31 -15.067 4.133 -3.265 1.00 0.00 C ATOM 438 C LYS A 31 -14.455 4.518 -4.616 1.00 0.00 C ATOM 439 O LYS A 31 -15.015 4.245 -5.660 1.00 0.00 O ATOM 440 CB LYS A 31 -16.314 4.979 -3.016 1.00 0.00 C ATOM 441 CG LYS A 31 -17.415 4.585 -4.009 1.00 0.00 C ATOM 442 CD LYS A 31 -18.765 5.160 -3.554 1.00 0.00 C ATOM 443 CE LYS A 31 -18.622 6.642 -3.178 1.00 0.00 C ATOM 444 NZ LYS A 31 -19.976 7.254 -3.060 1.00 0.00 N ATOM 0 H LYS A 31 -14.093 5.319 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.334 3.076 -3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.665 4.835 -1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.075 6.037 -3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.169 4.957 -5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.479 3.499 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.500 5.051 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.137 4.596 -2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.083 6.739 -2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.038 7.166 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.882 8.258 -2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.474 7.173 -3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -20.518 6.759 -2.323 1.00 0.00 H new ATOM 458 N GLY A 32 -13.314 5.154 -4.608 1.00 0.00 N ATOM 459 CA GLY A 32 -12.665 5.564 -5.893 1.00 0.00 C ATOM 460 C GLY A 32 -11.149 5.432 -5.765 1.00 0.00 C ATOM 461 O GLY A 32 -10.407 6.018 -6.528 1.00 0.00 O ATOM 0 H GLY A 32 -12.800 5.409 -3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.027 4.940 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.932 6.593 -6.135 1.00 0.00 H new ATOM 465 N GLY A 33 -10.669 4.689 -4.809 1.00 0.00 N ATOM 466 CA GLY A 33 -9.192 4.563 -4.659 1.00 0.00 C ATOM 467 C GLY A 33 -8.651 5.858 -4.049 1.00 0.00 C ATOM 468 O GLY A 33 -7.493 5.944 -3.692 1.00 0.00 O ATOM 0 H GLY A 33 -11.227 4.169 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.948 3.713 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.728 4.378 -5.628 1.00 0.00 H new ATOM 472 N GLN A 34 -9.478 6.876 -3.972 1.00 0.00 N ATOM 473 CA GLN A 34 -9.036 8.205 -3.431 1.00 0.00 C ATOM 474 C GLN A 34 -8.025 8.020 -2.286 1.00 0.00 C ATOM 475 O GLN A 34 -7.181 8.864 -2.059 1.00 0.00 O ATOM 476 CB GLN A 34 -10.272 8.939 -2.875 1.00 0.00 C ATOM 477 CG GLN A 34 -11.087 9.546 -4.026 1.00 0.00 C ATOM 478 CD GLN A 34 -10.336 10.744 -4.606 1.00 0.00 C ATOM 479 OE1 GLN A 34 -9.918 10.719 -5.747 1.00 0.00 O ATOM 480 NE2 GLN A 34 -10.145 11.801 -3.864 1.00 0.00 N ATOM 0 H GLN A 34 -10.454 6.842 -4.265 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.564 8.774 -4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.892 8.245 -2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.959 9.724 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.254 8.798 -4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.068 9.857 -3.667 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.496 11.822 -2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.645 12.606 -4.242 1.00 0.00 H new ATOM 489 N ARG A 35 -8.110 6.945 -1.544 1.00 0.00 N ATOM 490 CA ARG A 35 -7.155 6.759 -0.405 1.00 0.00 C ATOM 491 C ARG A 35 -5.853 6.144 -0.918 1.00 0.00 C ATOM 492 O ARG A 35 -4.779 6.492 -0.469 1.00 0.00 O ATOM 493 CB ARG A 35 -7.781 5.834 0.657 1.00 0.00 C ATOM 494 CG ARG A 35 -6.801 5.618 1.822 1.00 0.00 C ATOM 495 CD ARG A 35 -6.364 6.962 2.427 1.00 0.00 C ATOM 496 NE ARG A 35 -7.497 7.932 2.402 1.00 0.00 N ATOM 497 CZ ARG A 35 -7.450 9.007 3.140 1.00 0.00 C ATOM 498 NH1 ARG A 35 -6.412 9.233 3.898 1.00 0.00 N ATOM 499 NH2 ARG A 35 -8.439 9.858 3.119 1.00 0.00 N ATOM 0 H ARG A 35 -8.790 6.196 -1.673 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.943 7.729 0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.708 6.271 1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.039 4.875 0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.272 5.005 2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.926 5.071 1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.025 6.814 3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.520 7.364 1.867 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.308 7.755 1.809 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.638 8.569 3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.375 10.073 4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.250 9.683 2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.401 10.698 3.696 1.00 0.00 H new ATOM 513 N ILE A 36 -5.923 5.249 -1.864 1.00 0.00 N ATOM 514 CA ILE A 36 -4.667 4.652 -2.395 1.00 0.00 C ATOM 515 C ILE A 36 -3.943 5.712 -3.247 1.00 0.00 C ATOM 516 O ILE A 36 -2.745 5.656 -3.436 1.00 0.00 O ATOM 517 CB ILE A 36 -4.999 3.377 -3.206 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.988 2.143 -2.273 1.00 0.00 C ATOM 519 CG2 ILE A 36 -3.997 3.173 -4.353 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.553 1.632 -2.051 1.00 0.00 C ATOM 0 H ILE A 36 -6.786 4.908 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.004 4.353 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.992 3.498 -3.639 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.437 2.403 -1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.597 1.350 -2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.255 2.270 -4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.032 4.031 -5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.991 3.073 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.574 0.764 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.115 1.350 -3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.953 2.420 -1.595 1.00 0.00 H new ATOM 532 N LYS A 37 -4.665 6.679 -3.752 1.00 0.00 N ATOM 533 CA LYS A 37 -4.020 7.741 -4.575 1.00 0.00 C ATOM 534 C LYS A 37 -3.190 8.644 -3.659 1.00 0.00 C ATOM 535 O LYS A 37 -2.044 8.940 -3.937 1.00 0.00 O ATOM 536 CB LYS A 37 -5.103 8.574 -5.267 1.00 0.00 C ATOM 537 CG LYS A 37 -4.456 9.498 -6.304 1.00 0.00 C ATOM 538 CD LYS A 37 -5.541 10.140 -7.181 1.00 0.00 C ATOM 539 CE LYS A 37 -6.349 11.162 -6.370 1.00 0.00 C ATOM 540 NZ LYS A 37 -7.371 10.452 -5.551 1.00 0.00 N ATOM 0 H LYS A 37 -5.673 6.778 -3.629 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.376 7.287 -5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.827 7.918 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.649 9.163 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.876 10.273 -5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.762 8.932 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.081 10.629 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.205 9.369 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.685 11.736 -5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.834 11.872 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.311 10.853 -5.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.369 9.441 -5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.148 10.566 -4.542 1.00 0.00 H new ATOM 554 N GLN A 38 -3.756 9.084 -2.569 1.00 0.00 N ATOM 555 CA GLN A 38 -2.990 9.967 -1.643 1.00 0.00 C ATOM 556 C GLN A 38 -1.731 9.230 -1.164 1.00 0.00 C ATOM 557 O GLN A 38 -0.643 9.770 -1.180 1.00 0.00 O ATOM 558 CB GLN A 38 -3.874 10.336 -0.437 1.00 0.00 C ATOM 559 CG GLN A 38 -4.728 11.566 -0.769 1.00 0.00 C ATOM 560 CD GLN A 38 -5.626 11.265 -1.970 1.00 0.00 C ATOM 561 OE1 GLN A 38 -5.086 11.090 -3.146 1.00 0.00 O flip ATOM 562 NE2 GLN A 38 -6.831 11.191 -1.839 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.711 8.872 -2.280 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.697 10.879 -2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.518 9.496 -0.177 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.250 10.541 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.337 11.840 0.092 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.085 12.418 -0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.254 11.328 -0.921 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.421 10.992 -2.647 1.00 0.00 H new ATOM 571 N ILE A 39 -1.871 8.004 -0.738 1.00 0.00 N ATOM 572 CA ILE A 39 -0.681 7.242 -0.259 1.00 0.00 C ATOM 573 C ILE A 39 0.339 7.112 -1.394 1.00 0.00 C ATOM 574 O ILE A 39 1.533 7.101 -1.173 1.00 0.00 O ATOM 575 CB ILE A 39 -1.116 5.845 0.188 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.130 5.965 1.328 1.00 0.00 C ATOM 577 CG2 ILE A 39 0.105 5.063 0.677 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.756 4.596 1.599 1.00 0.00 C ATOM 0 H ILE A 39 -2.756 7.497 -0.701 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.228 7.772 0.579 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.573 5.322 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.640 6.337 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.905 6.686 1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.204 4.068 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.830 4.976 -0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.561 5.588 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.478 4.681 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.260 4.242 0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.976 3.888 1.880 1.00 0.00 H new ATOM 590 N ARG A 40 -0.126 7.004 -2.608 1.00 0.00 N ATOM 591 CA ARG A 40 0.809 6.863 -3.764 1.00 0.00 C ATOM 592 C ARG A 40 1.770 8.055 -3.817 1.00 0.00 C ATOM 593 O ARG A 40 2.972 7.891 -3.872 1.00 0.00 O ATOM 594 CB ARG A 40 0.000 6.808 -5.064 1.00 0.00 C ATOM 595 CG ARG A 40 0.905 6.355 -6.219 1.00 0.00 C ATOM 596 CD ARG A 40 0.094 6.251 -7.530 1.00 0.00 C ATOM 597 NE ARG A 40 0.542 5.051 -8.305 1.00 0.00 N ATOM 598 CZ ARG A 40 1.810 4.809 -8.509 1.00 0.00 C ATOM 599 NH1 ARG A 40 2.715 5.688 -8.176 1.00 0.00 N ATOM 600 NH2 ARG A 40 2.172 3.700 -9.094 1.00 0.00 N ATOM 0 H ARG A 40 -1.116 7.007 -2.852 1.00 0.00 H new ATOM 0 HA ARG A 40 1.386 5.946 -3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.837 6.119 -4.954 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.422 7.789 -5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.725 7.062 -6.346 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.351 5.389 -5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.970 6.175 -7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.231 7.153 -8.126 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.156 4.410 -8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.435 6.573 -7.753 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.702 5.490 -8.339 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.466 3.026 -9.390 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.161 3.508 -9.255 1.00 0.00 H new ATOM 614 N HIS A 41 1.250 9.252 -3.820 1.00 0.00 N ATOM 615 CA HIS A 41 2.137 10.450 -3.890 1.00 0.00 C ATOM 616 C HIS A 41 2.749 10.741 -2.516 1.00 0.00 C ATOM 617 O HIS A 41 3.901 11.110 -2.410 1.00 0.00 O ATOM 618 CB HIS A 41 1.319 11.660 -4.348 1.00 0.00 C ATOM 619 CG HIS A 41 2.232 12.839 -4.542 1.00 0.00 C ATOM 620 ND1 HIS A 41 2.503 13.739 -3.524 1.00 0.00 N ATOM 621 CD2 HIS A 41 2.944 13.278 -5.631 1.00 0.00 C ATOM 622 CE1 HIS A 41 3.345 14.667 -4.017 1.00 0.00 C ATOM 623 NE2 HIS A 41 3.645 14.433 -5.297 1.00 0.00 N ATOM 0 H HIS A 41 0.251 9.453 -3.777 1.00 0.00 H new ATOM 0 HA HIS A 41 2.940 10.254 -4.600 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.801 11.431 -5.279 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.554 11.897 -3.608 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.958 12.800 -6.599 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.731 15.499 -3.447 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.257 14.983 -5.900 1.00 0.00 H new ATOM 631 N GLU A 42 1.991 10.591 -1.467 1.00 0.00 N ATOM 632 CA GLU A 42 2.539 10.873 -0.108 1.00 0.00 C ATOM 633 C GLU A 42 3.749 9.977 0.168 1.00 0.00 C ATOM 634 O GLU A 42 4.758 10.425 0.674 1.00 0.00 O ATOM 635 CB GLU A 42 1.461 10.622 0.948 1.00 0.00 C ATOM 636 CG GLU A 42 1.915 11.206 2.287 1.00 0.00 C ATOM 637 CD GLU A 42 0.833 10.965 3.341 1.00 0.00 C ATOM 638 OE1 GLU A 42 -0.204 11.602 3.254 1.00 0.00 O ATOM 639 OE2 GLU A 42 1.060 10.148 4.218 1.00 0.00 O ATOM 0 H GLU A 42 1.018 10.286 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 42 2.852 11.916 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.521 11.079 0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.277 9.552 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.851 10.743 2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.106 12.274 2.184 1.00 0.00 H new ATOM 646 N SER A 43 3.656 8.712 -0.143 1.00 0.00 N ATOM 647 CA SER A 43 4.803 7.792 0.124 1.00 0.00 C ATOM 648 C SER A 43 5.778 7.807 -1.056 1.00 0.00 C ATOM 649 O SER A 43 6.936 7.466 -0.918 1.00 0.00 O ATOM 650 CB SER A 43 4.279 6.370 0.333 1.00 0.00 C ATOM 651 OG SER A 43 5.364 5.455 0.268 1.00 0.00 O ATOM 0 H SER A 43 2.839 8.275 -0.569 1.00 0.00 H new ATOM 0 HA SER A 43 5.325 8.127 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.780 6.292 1.299 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.538 6.128 -0.429 1.00 0.00 H new ATOM 0 HG SER A 43 5.493 5.038 1.145 1.00 0.00 H new ATOM 657 N GLY A 44 5.320 8.183 -2.218 1.00 0.00 N ATOM 658 CA GLY A 44 6.226 8.196 -3.403 1.00 0.00 C ATOM 659 C GLY A 44 6.363 6.766 -3.923 1.00 0.00 C ATOM 660 O GLY A 44 7.050 6.503 -4.889 1.00 0.00 O ATOM 0 H GLY A 44 4.361 8.481 -2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.823 8.845 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.203 8.595 -3.129 1.00 0.00 H new ATOM 664 N ALA A 45 5.707 5.843 -3.277 1.00 0.00 N ATOM 665 CA ALA A 45 5.777 4.419 -3.705 1.00 0.00 C ATOM 666 C ALA A 45 4.732 4.151 -4.787 1.00 0.00 C ATOM 667 O ALA A 45 3.770 4.878 -4.940 1.00 0.00 O ATOM 668 CB ALA A 45 5.497 3.519 -2.500 1.00 0.00 C ATOM 0 H ALA A 45 5.119 6.017 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 45 6.770 4.209 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.547 2.474 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.241 3.706 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.503 3.735 -2.108 1.00 0.00 H new ATOM 674 N SER A 46 4.897 3.067 -5.498 1.00 0.00 N ATOM 675 CA SER A 46 3.902 2.672 -6.540 1.00 0.00 C ATOM 676 C SER A 46 3.101 1.510 -5.956 1.00 0.00 C ATOM 677 O SER A 46 3.625 0.747 -5.168 1.00 0.00 O ATOM 678 CB SER A 46 4.631 2.213 -7.804 1.00 0.00 C ATOM 679 OG SER A 46 5.409 3.289 -8.313 1.00 0.00 O ATOM 0 H SER A 46 5.688 2.431 -5.400 1.00 0.00 H new ATOM 0 HA SER A 46 3.254 3.507 -6.806 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.271 1.360 -7.579 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.912 1.883 -8.553 1.00 0.00 H new ATOM 0 HG SER A 46 5.879 2.998 -9.122 1.00 0.00 H new ATOM 685 N ILE A 47 1.841 1.362 -6.294 1.00 0.00 N ATOM 686 CA ILE A 47 1.026 0.246 -5.714 1.00 0.00 C ATOM 687 C ILE A 47 0.250 -0.465 -6.824 1.00 0.00 C ATOM 688 O ILE A 47 -0.291 0.164 -7.712 1.00 0.00 O ATOM 689 CB ILE A 47 0.008 0.813 -4.700 1.00 0.00 C ATOM 690 CG1 ILE A 47 0.678 1.824 -3.741 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.622 -0.334 -3.894 1.00 0.00 C ATOM 692 CD1 ILE A 47 1.482 1.100 -2.655 1.00 0.00 C ATOM 0 H ILE A 47 1.342 1.966 -6.947 1.00 0.00 H new ATOM 0 HA ILE A 47 1.700 -0.454 -5.220 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.770 1.337 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.335 2.485 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.084 2.451 -3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.339 0.073 -3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.133 -1.017 -4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.158 -0.872 -3.356 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.943 1.834 -1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.817 0.458 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.258 0.493 -3.121 1.00 0.00 H new ATOM 704 N LYS A 48 0.184 -1.769 -6.776 1.00 0.00 N ATOM 705 CA LYS A 48 -0.557 -2.550 -7.811 1.00 0.00 C ATOM 706 C LYS A 48 -1.499 -3.513 -7.097 1.00 0.00 C ATOM 707 O LYS A 48 -1.078 -4.302 -6.274 1.00 0.00 O ATOM 708 CB LYS A 48 0.440 -3.346 -8.657 1.00 0.00 C ATOM 709 CG LYS A 48 -0.280 -3.952 -9.863 1.00 0.00 C ATOM 710 CD LYS A 48 0.630 -4.978 -10.544 1.00 0.00 C ATOM 711 CE LYS A 48 1.911 -4.295 -11.035 1.00 0.00 C ATOM 712 NZ LYS A 48 2.560 -5.146 -12.071 1.00 0.00 N ATOM 0 H LYS A 48 0.620 -2.337 -6.050 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.121 -1.880 -8.460 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.248 -2.696 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.893 -4.135 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.207 -4.429 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.552 -3.167 -10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.878 -5.777 -9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.109 -5.439 -11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.677 -3.314 -11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.594 -4.135 -10.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.430 -4.684 -12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.796 -6.072 -11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.908 -5.277 -12.871 1.00 0.00 H new ATOM 726 N ILE A 49 -2.773 -3.453 -7.383 1.00 0.00 N ATOM 727 CA ILE A 49 -3.752 -4.355 -6.709 1.00 0.00 C ATOM 728 C ILE A 49 -4.083 -5.520 -7.647 1.00 0.00 C ATOM 729 O ILE A 49 -4.314 -5.329 -8.824 1.00 0.00 O ATOM 730 CB ILE A 49 -5.016 -3.543 -6.396 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.607 -2.268 -5.646 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.966 -4.367 -5.523 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.842 -1.424 -5.331 1.00 0.00 C ATOM 0 H ILE A 49 -3.181 -2.810 -8.062 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.339 -4.757 -5.784 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.526 -3.286 -7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.091 -2.530 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.907 -1.691 -6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.860 -3.782 -5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.247 -5.278 -6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.468 -4.628 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.540 -0.522 -4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.340 -1.148 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.527 -2.000 -4.709 1.00 0.00 H new ATOM 745 N ASP A 50 -4.106 -6.725 -7.141 1.00 0.00 N ATOM 746 CA ASP A 50 -4.420 -7.905 -8.005 1.00 0.00 C ATOM 747 C ASP A 50 -5.904 -8.236 -7.867 1.00 0.00 C ATOM 748 O ASP A 50 -6.505 -7.991 -6.840 1.00 0.00 O ATOM 749 CB ASP A 50 -3.591 -9.104 -7.540 1.00 0.00 C ATOM 750 CG ASP A 50 -2.102 -8.788 -7.702 1.00 0.00 C ATOM 751 OD1 ASP A 50 -1.736 -7.640 -7.508 1.00 0.00 O ATOM 752 OD2 ASP A 50 -1.354 -9.699 -8.016 1.00 0.00 O ATOM 0 H ASP A 50 -3.920 -6.945 -6.163 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.184 -7.679 -9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.814 -9.332 -6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.852 -9.988 -8.122 1.00 0.00 H new ATOM 757 N GLU A 51 -6.503 -8.811 -8.874 1.00 0.00 N ATOM 758 CA GLU A 51 -7.941 -9.174 -8.772 1.00 0.00 C ATOM 759 C GLU A 51 -8.076 -10.350 -7.792 1.00 0.00 C ATOM 760 O GLU A 51 -7.172 -11.154 -7.682 1.00 0.00 O ATOM 761 CB GLU A 51 -8.432 -9.615 -10.154 1.00 0.00 C ATOM 762 CG GLU A 51 -8.383 -8.426 -11.115 1.00 0.00 C ATOM 763 CD GLU A 51 -6.927 -8.103 -11.455 1.00 0.00 C ATOM 764 OE1 GLU A 51 -6.363 -8.802 -12.280 1.00 0.00 O ATOM 765 OE2 GLU A 51 -6.401 -7.162 -10.884 1.00 0.00 O ATOM 0 H GLU A 51 -6.057 -9.044 -9.761 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.528 -8.325 -8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.810 -10.427 -10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.450 -9.999 -10.085 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.937 -8.657 -12.025 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.863 -7.559 -10.662 1.00 0.00 H new ATOM 772 N PRO A 52 -9.178 -10.481 -7.088 1.00 0.00 N ATOM 773 CA PRO A 52 -9.332 -11.623 -6.144 1.00 0.00 C ATOM 774 C PRO A 52 -9.349 -12.972 -6.885 1.00 0.00 C ATOM 775 O PRO A 52 -9.952 -13.105 -7.931 1.00 0.00 O ATOM 776 CB PRO A 52 -10.690 -11.323 -5.478 1.00 0.00 C ATOM 777 CG PRO A 52 -11.389 -10.225 -6.300 1.00 0.00 C ATOM 778 CD PRO A 52 -10.327 -9.531 -7.168 1.00 0.00 C ATOM 0 HA PRO A 52 -8.511 -11.711 -5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.305 -12.223 -5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.546 -10.995 -4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.170 -10.657 -6.926 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.872 -9.504 -5.640 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.668 -9.392 -8.194 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.067 -8.545 -6.782 1.00 0.00 H new ATOM 853 N ASP A 58 -10.676 -12.094 0.163 1.00 0.00 N ATOM 854 CA ASP A 58 -9.546 -11.188 0.534 1.00 0.00 C ATOM 855 C ASP A 58 -8.972 -10.515 -0.717 1.00 0.00 C ATOM 856 O ASP A 58 -9.054 -11.021 -1.818 1.00 0.00 O ATOM 857 CB ASP A 58 -8.448 -12.009 1.214 1.00 0.00 C ATOM 858 CG ASP A 58 -9.033 -12.738 2.425 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.759 -13.697 2.221 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.746 -12.325 3.537 1.00 0.00 O ATOM 0 HA ASP A 58 -9.914 -10.419 1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.028 -12.728 0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.633 -11.357 1.527 1.00 0.00 H new ATOM 865 N ARG A 59 -8.366 -9.373 -0.522 1.00 0.00 N ATOM 866 CA ARG A 59 -7.732 -8.614 -1.642 1.00 0.00 C ATOM 867 C ARG A 59 -6.237 -8.499 -1.348 1.00 0.00 C ATOM 868 O ARG A 59 -5.837 -8.278 -0.223 1.00 0.00 O ATOM 869 CB ARG A 59 -8.342 -7.210 -1.723 1.00 0.00 C ATOM 870 CG ARG A 59 -9.806 -7.298 -2.219 1.00 0.00 C ATOM 871 CD ARG A 59 -10.234 -5.994 -2.913 1.00 0.00 C ATOM 872 NE ARG A 59 -11.715 -5.994 -3.080 1.00 0.00 N ATOM 873 CZ ARG A 59 -12.338 -4.885 -3.371 1.00 0.00 C ATOM 874 NH1 ARG A 59 -11.664 -3.777 -3.516 1.00 0.00 N ATOM 875 NH2 ARG A 59 -13.635 -4.884 -3.519 1.00 0.00 N ATOM 0 H ARG A 59 -8.282 -8.923 0.390 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.898 -9.128 -2.589 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.309 -6.733 -0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.756 -6.588 -2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.909 -8.133 -2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.467 -7.499 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.922 -5.133 -2.321 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.746 -5.907 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.241 -6.860 -2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.650 -3.778 -3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.151 -2.910 -3.743 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.162 -5.750 -3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.122 -4.017 -3.746 1.00 0.00 H new ATOM 889 N ILE A 60 -5.404 -8.663 -2.350 1.00 0.00 N ATOM 890 CA ILE A 60 -3.924 -8.583 -2.130 1.00 0.00 C ATOM 891 C ILE A 60 -3.366 -7.293 -2.740 1.00 0.00 C ATOM 892 O ILE A 60 -3.900 -6.751 -3.687 1.00 0.00 O ATOM 893 CB ILE A 60 -3.265 -9.802 -2.775 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.647 -11.043 -1.963 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.741 -9.638 -2.762 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.212 -12.299 -2.704 1.00 0.00 C ATOM 0 H ILE A 60 -5.687 -8.849 -3.312 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.711 -8.573 -1.061 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.602 -9.903 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.174 -11.006 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.724 -11.063 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.277 -10.510 -3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.467 -8.743 -3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.394 -9.544 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.486 -13.179 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.706 -12.338 -3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.132 -12.281 -2.847 1.00 0.00 H new ATOM 908 N ILE A 61 -2.290 -6.800 -2.185 1.00 0.00 N ATOM 909 CA ILE A 61 -1.677 -5.539 -2.706 1.00 0.00 C ATOM 910 C ILE A 61 -0.160 -5.693 -2.803 1.00 0.00 C ATOM 911 O ILE A 61 0.460 -6.309 -1.964 1.00 0.00 O ATOM 912 CB ILE A 61 -2.006 -4.388 -1.750 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.515 -4.128 -1.801 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.243 -3.123 -2.180 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.882 -3.014 -0.826 1.00 0.00 C ATOM 0 H ILE A 61 -1.806 -7.217 -1.390 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.079 -5.329 -3.697 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.709 -4.649 -0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.811 -3.850 -2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.059 -5.038 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.479 -2.306 -1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.171 -3.318 -2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.538 -2.847 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.956 -2.834 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.602 -3.309 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.351 -2.102 -1.099 1.00 0.00 H new ATOM 927 N THR A 62 0.437 -5.131 -3.828 1.00 0.00 N ATOM 928 CA THR A 62 1.922 -5.231 -4.004 1.00 0.00 C ATOM 929 C THR A 62 2.541 -3.835 -3.920 1.00 0.00 C ATOM 930 O THR A 62 2.211 -2.953 -4.688 1.00 0.00 O ATOM 931 CB THR A 62 2.225 -5.837 -5.378 1.00 0.00 C ATOM 932 OG1 THR A 62 1.471 -7.030 -5.542 1.00 0.00 O ATOM 933 CG2 THR A 62 3.717 -6.158 -5.479 1.00 0.00 C ATOM 0 H THR A 62 -0.045 -4.603 -4.556 1.00 0.00 H new ATOM 0 HA THR A 62 2.342 -5.862 -3.221 1.00 0.00 H new ATOM 0 HB THR A 62 1.956 -5.124 -6.158 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.661 -7.419 -6.421 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.931 -6.589 -6.457 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.295 -5.243 -5.351 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.989 -6.871 -4.701 1.00 0.00 H new ATOM 941 N ILE A 63 3.440 -3.626 -2.991 1.00 0.00 N ATOM 942 CA ILE A 63 4.096 -2.293 -2.837 1.00 0.00 C ATOM 943 C ILE A 63 5.484 -2.336 -3.478 1.00 0.00 C ATOM 944 O ILE A 63 6.242 -3.253 -3.230 1.00 0.00 O ATOM 945 CB ILE A 63 4.257 -1.996 -1.346 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.910 -2.212 -0.645 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.720 -0.545 -1.159 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.005 -1.760 0.811 1.00 0.00 C ATOM 0 H ILE A 63 3.751 -4.333 -2.324 1.00 0.00 H new ATOM 0 HA ILE A 63 3.489 -1.525 -3.316 1.00 0.00 H new ATOM 0 HB ILE A 63 5.002 -2.663 -0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.129 -1.652 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.631 -3.265 -0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.835 -0.334 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.676 -0.400 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.979 0.131 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.045 -1.916 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.774 -2.339 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.264 -0.702 0.847 1.00 0.00 H new ATOM 960 N THR A 64 5.841 -1.362 -4.281 1.00 0.00 N ATOM 961 CA THR A 64 7.207 -1.370 -4.910 1.00 0.00 C ATOM 962 C THR A 64 7.871 -0.014 -4.673 1.00 0.00 C ATOM 963 O THR A 64 7.283 1.022 -4.915 1.00 0.00 O ATOM 964 CB THR A 64 7.084 -1.627 -6.413 1.00 0.00 C ATOM 965 OG1 THR A 64 6.195 -2.712 -6.635 1.00 0.00 O ATOM 966 CG2 THR A 64 8.459 -1.965 -6.991 1.00 0.00 C ATOM 0 H THR A 64 5.253 -0.566 -4.529 1.00 0.00 H new ATOM 0 HA THR A 64 7.811 -2.160 -4.464 1.00 0.00 H new ATOM 0 HB THR A 64 6.697 -0.733 -6.903 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.114 -2.877 -7.598 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.369 -2.148 -8.062 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.140 -1.131 -6.821 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.850 -2.858 -6.502 1.00 0.00 H new ATOM 974 N GLY A 65 9.088 -0.002 -4.192 1.00 0.00 N ATOM 975 CA GLY A 65 9.789 1.284 -3.925 1.00 0.00 C ATOM 976 C GLY A 65 10.975 1.015 -2.991 1.00 0.00 C ATOM 977 O GLY A 65 11.297 -0.120 -2.699 1.00 0.00 O ATOM 0 H GLY A 65 9.629 -0.838 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.137 1.725 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.105 2.000 -3.470 1.00 0.00 H new ATOM 981 N THR A 66 11.625 2.040 -2.517 1.00 0.00 N ATOM 982 CA THR A 66 12.785 1.826 -1.599 1.00 0.00 C ATOM 983 C THR A 66 12.277 1.379 -0.223 1.00 0.00 C ATOM 984 O THR A 66 11.128 1.567 0.125 1.00 0.00 O ATOM 985 CB THR A 66 13.590 3.119 -1.465 1.00 0.00 C ATOM 986 OG1 THR A 66 12.701 4.209 -1.261 1.00 0.00 O ATOM 987 CG2 THR A 66 14.401 3.348 -2.740 1.00 0.00 C ATOM 0 H THR A 66 11.407 3.015 -2.723 1.00 0.00 H new ATOM 0 HA THR A 66 13.431 1.051 -2.011 1.00 0.00 H new ATOM 0 HB THR A 66 14.268 3.041 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.914 4.650 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.975 4.270 -2.645 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.082 2.511 -2.894 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.725 3.427 -3.592 1.00 0.00 H new ATOM 995 N GLN A 67 13.140 0.772 0.554 1.00 0.00 N ATOM 996 CA GLN A 67 12.746 0.280 1.908 1.00 0.00 C ATOM 997 C GLN A 67 11.975 1.363 2.667 1.00 0.00 C ATOM 998 O GLN A 67 10.952 1.102 3.269 1.00 0.00 O ATOM 999 CB GLN A 67 14.015 -0.089 2.699 1.00 0.00 C ATOM 1000 CG GLN A 67 13.673 -1.105 3.794 1.00 0.00 C ATOM 1001 CD GLN A 67 12.644 -0.502 4.751 1.00 0.00 C ATOM 1002 OE1 GLN A 67 11.420 -0.954 4.743 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 12.957 0.388 5.516 1.00 0.00 N flip ATOM 0 H GLN A 67 14.113 0.595 0.303 1.00 0.00 H new ATOM 0 HA GLN A 67 12.105 -0.595 1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.765 -0.506 2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.449 0.806 3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.278 -2.017 3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.574 -1.382 4.341 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.914 0.742 5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.263 0.782 6.152 1.00 0.00 H new ATOM 1012 N ASP A 68 12.465 2.569 2.659 1.00 0.00 N ATOM 1013 CA ASP A 68 11.766 3.656 3.396 1.00 0.00 C ATOM 1014 C ASP A 68 10.438 3.976 2.712 1.00 0.00 C ATOM 1015 O ASP A 68 9.423 4.124 3.363 1.00 0.00 O ATOM 1016 CB ASP A 68 12.645 4.908 3.425 1.00 0.00 C ATOM 1017 CG ASP A 68 13.020 5.302 1.995 1.00 0.00 C ATOM 1018 OD1 ASP A 68 13.782 4.572 1.380 1.00 0.00 O ATOM 1019 OD2 ASP A 68 12.540 6.327 1.538 1.00 0.00 O ATOM 0 H ASP A 68 13.318 2.849 2.175 1.00 0.00 H new ATOM 0 HA ASP A 68 11.573 3.328 4.417 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.115 5.726 3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.545 4.720 4.010 1.00 0.00 H new ATOM 1024 N GLN A 69 10.423 4.094 1.415 1.00 0.00 N ATOM 1025 CA GLN A 69 9.143 4.413 0.728 1.00 0.00 C ATOM 1026 C GLN A 69 8.116 3.322 1.041 1.00 0.00 C ATOM 1027 O GLN A 69 6.940 3.582 1.195 1.00 0.00 O ATOM 1028 CB GLN A 69 9.372 4.484 -0.783 1.00 0.00 C ATOM 1029 CG GLN A 69 10.204 5.723 -1.118 1.00 0.00 C ATOM 1030 CD GLN A 69 10.656 5.655 -2.578 1.00 0.00 C ATOM 1031 OE1 GLN A 69 10.256 4.770 -3.308 1.00 0.00 O ATOM 1032 NE2 GLN A 69 11.480 6.557 -3.037 1.00 0.00 N ATOM 0 H GLN A 69 11.234 3.985 0.806 1.00 0.00 H new ATOM 0 HA GLN A 69 8.772 5.376 1.079 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.885 3.585 -1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.416 4.524 -1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.616 6.625 -0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.071 5.781 -0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.816 7.300 -2.424 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.788 6.519 -4.009 1.00 0.00 H new ATOM 1041 N ILE A 70 8.564 2.095 1.133 1.00 0.00 N ATOM 1042 CA ILE A 70 7.639 0.965 1.434 1.00 0.00 C ATOM 1043 C ILE A 70 7.190 1.019 2.897 1.00 0.00 C ATOM 1044 O ILE A 70 6.021 0.868 3.195 1.00 0.00 O ATOM 1045 CB ILE A 70 8.366 -0.363 1.182 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.624 -0.527 -0.318 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.505 -1.532 1.681 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.563 -1.714 -0.552 1.00 0.00 C ATOM 0 H ILE A 70 9.541 1.828 1.011 1.00 0.00 H new ATOM 0 HA ILE A 70 6.763 1.044 0.790 1.00 0.00 H new ATOM 0 HB ILE A 70 9.314 -0.359 1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.683 -0.686 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.065 0.384 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.027 -2.472 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.322 -1.419 2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.554 -1.536 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.745 -1.829 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.509 -1.536 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.104 -2.623 -0.162 1.00 0.00 H new ATOM 1060 N GLN A 71 8.093 1.235 3.819 1.00 0.00 N ATOM 1061 CA GLN A 71 7.704 1.301 5.256 1.00 0.00 C ATOM 1062 C GLN A 71 6.710 2.442 5.463 1.00 0.00 C ATOM 1063 O GLN A 71 5.727 2.303 6.165 1.00 0.00 O ATOM 1064 CB GLN A 71 8.954 1.559 6.099 1.00 0.00 C ATOM 1065 CG GLN A 71 8.587 1.521 7.583 1.00 0.00 C ATOM 1066 CD GLN A 71 9.854 1.674 8.428 1.00 0.00 C ATOM 1067 OE1 GLN A 71 10.975 1.161 7.999 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 9.825 2.266 9.488 1.00 0.00 N flip ATOM 0 H GLN A 71 9.087 1.369 3.635 1.00 0.00 H new ATOM 0 HA GLN A 71 7.243 0.360 5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.713 0.807 5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.383 2.528 5.845 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.884 2.321 7.815 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.090 0.581 7.821 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.950 2.667 9.824 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.676 2.362 10.042 1.00 0.00 H new ATOM 1077 N ASN A 72 6.956 3.572 4.857 1.00 0.00 N ATOM 1078 CA ASN A 72 6.026 4.721 5.019 1.00 0.00 C ATOM 1079 C ASN A 72 4.650 4.327 4.483 1.00 0.00 C ATOM 1080 O ASN A 72 3.631 4.783 4.960 1.00 0.00 O ATOM 1081 CB ASN A 72 6.558 5.923 4.234 1.00 0.00 C ATOM 1082 CG ASN A 72 7.830 6.446 4.902 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.580 5.688 5.485 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.109 7.720 4.843 1.00 0.00 N ATOM 0 H ASN A 72 7.762 3.747 4.257 1.00 0.00 H new ATOM 0 HA ASN A 72 5.947 4.987 6.073 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.768 5.634 3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.804 6.709 4.197 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.955 8.078 5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.481 8.358 4.354 1.00 0.00 H new ATOM 1091 N ALA A 73 4.619 3.483 3.490 1.00 0.00 N ATOM 1092 CA ALA A 73 3.316 3.058 2.913 1.00 0.00 C ATOM 1093 C ALA A 73 2.654 2.033 3.835 1.00 0.00 C ATOM 1094 O ALA A 73 1.465 2.081 4.084 1.00 0.00 O ATOM 1095 CB ALA A 73 3.553 2.430 1.538 1.00 0.00 C ATOM 0 H ALA A 73 5.442 3.069 3.053 1.00 0.00 H new ATOM 0 HA ALA A 73 2.663 3.925 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.600 2.117 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.022 3.161 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.206 1.563 1.641 1.00 0.00 H new ATOM 1101 N GLN A 74 3.415 1.098 4.338 1.00 0.00 N ATOM 1102 CA GLN A 74 2.844 0.058 5.239 1.00 0.00 C ATOM 1103 C GLN A 74 2.137 0.718 6.426 1.00 0.00 C ATOM 1104 O GLN A 74 1.023 0.370 6.766 1.00 0.00 O ATOM 1105 CB GLN A 74 3.976 -0.832 5.761 1.00 0.00 C ATOM 1106 CG GLN A 74 4.483 -1.738 4.634 1.00 0.00 C ATOM 1107 CD GLN A 74 3.498 -2.889 4.419 1.00 0.00 C ATOM 1108 OE1 GLN A 74 2.681 -2.846 3.520 1.00 0.00 O ATOM 1109 NE2 GLN A 74 3.542 -3.924 5.213 1.00 0.00 N ATOM 0 H GLN A 74 4.416 1.011 4.161 1.00 0.00 H new ATOM 0 HA GLN A 74 2.123 -0.540 4.681 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.791 -0.215 6.139 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.621 -1.437 6.595 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.594 -1.164 3.714 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.468 -2.131 4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.228 -3.959 5.967 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.891 -4.697 5.079 1.00 0.00 H new ATOM 1118 N TYR A 75 2.775 1.658 7.069 1.00 0.00 N ATOM 1119 CA TYR A 75 2.132 2.318 8.240 1.00 0.00 C ATOM 1120 C TYR A 75 0.842 3.015 7.799 1.00 0.00 C ATOM 1121 O TYR A 75 -0.174 2.923 8.461 1.00 0.00 O ATOM 1122 CB TYR A 75 3.091 3.337 8.858 1.00 0.00 C ATOM 1123 CG TYR A 75 2.480 3.907 10.117 1.00 0.00 C ATOM 1124 CD1 TYR A 75 2.701 3.279 11.348 1.00 0.00 C ATOM 1125 CD2 TYR A 75 1.694 5.063 10.051 1.00 0.00 C ATOM 1126 CE1 TYR A 75 2.136 3.808 12.514 1.00 0.00 C ATOM 1127 CE2 TYR A 75 1.128 5.592 11.217 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.349 4.965 12.448 1.00 0.00 C ATOM 1129 OH TYR A 75 0.791 5.486 13.599 1.00 0.00 O ATOM 0 H TYR A 75 3.709 1.996 6.836 1.00 0.00 H new ATOM 0 HA TYR A 75 1.891 1.562 8.987 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.045 2.862 9.087 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.296 4.137 8.147 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.307 2.387 11.398 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.524 5.547 9.101 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.307 3.324 13.464 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.521 6.484 11.166 1.00 0.00 H new ATOM 0 HH TYR A 75 -0.184 5.515 13.506 1.00 0.00 H new ATOM 1139 N LEU A 76 0.861 3.707 6.694 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.383 4.392 6.242 1.00 0.00 C ATOM 1141 C LEU A 76 -1.447 3.339 5.925 1.00 0.00 C ATOM 1142 O LEU A 76 -2.631 3.605 5.987 1.00 0.00 O ATOM 1143 CB LEU A 76 -0.100 5.243 4.997 1.00 0.00 C ATOM 1144 CG LEU A 76 0.887 6.373 5.340 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.540 6.892 4.055 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.153 7.534 6.025 1.00 0.00 C ATOM 0 H LEU A 76 1.674 3.828 6.090 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.742 5.049 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.313 4.617 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.030 5.665 4.617 1.00 0.00 H new ATOM 0 HG LEU A 76 1.647 5.977 6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.239 7.692 4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.076 6.079 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.770 7.275 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.864 8.325 6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.615 7.924 5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.313 7.178 6.944 1.00 0.00 H new ATOM 1158 N LEU A 77 -1.042 2.139 5.606 1.00 0.00 N ATOM 1159 CA LEU A 77 -2.047 1.077 5.314 1.00 0.00 C ATOM 1160 C LEU A 77 -2.625 0.583 6.643 1.00 0.00 C ATOM 1161 O LEU A 77 -3.822 0.450 6.804 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.373 -0.092 4.570 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.272 0.216 3.063 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.318 -0.790 2.409 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.657 0.115 2.387 1.00 0.00 C ATOM 0 H LEU A 77 -0.066 1.850 5.535 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.842 1.477 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.378 -0.266 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.945 -1.007 4.723 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.897 1.232 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.241 -0.578 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.668 -0.707 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.701 -1.800 2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.560 0.337 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.051 -0.894 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.339 0.831 2.846 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.773 0.316 7.597 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.246 -0.164 8.926 1.00 0.00 C ATOM 1179 C GLN A 78 -3.128 0.908 9.576 1.00 0.00 C ATOM 1180 O GLN A 78 -4.114 0.613 10.219 1.00 0.00 O ATOM 1181 CB GLN A 78 -1.028 -0.433 9.824 1.00 0.00 C ATOM 1182 CG GLN A 78 -0.386 -1.772 9.441 1.00 0.00 C ATOM 1183 CD GLN A 78 0.897 -1.974 10.248 1.00 0.00 C ATOM 1184 OE1 GLN A 78 1.536 -1.019 10.643 1.00 0.00 O ATOM 1185 NE2 GLN A 78 1.304 -3.185 10.511 1.00 0.00 N ATOM 0 H GLN A 78 -0.761 0.411 7.510 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.824 -1.079 8.800 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.301 0.373 9.718 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.333 -0.452 10.870 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.081 -2.589 9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.163 -1.788 8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.768 -3.987 10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.159 -3.330 11.048 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.769 2.156 9.421 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.585 3.244 10.036 1.00 0.00 C ATOM 1196 C ASN A 79 -4.833 3.494 9.186 1.00 0.00 C ATOM 1197 O ASN A 79 -5.834 3.966 9.685 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.755 4.522 10.168 1.00 0.00 C ATOM 1199 CG ASN A 79 -1.788 4.383 11.345 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -1.865 5.127 12.302 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -0.872 3.452 11.316 1.00 0.00 N ATOM 0 H ASN A 79 -1.951 2.467 8.898 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.896 2.938 11.035 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.200 4.705 9.248 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.410 5.380 10.321 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.223 3.351 12.096 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.806 2.826 10.513 1.00 0.00 H new ATOM 1208 N SER A 80 -4.805 3.193 7.917 1.00 0.00 N ATOM 1209 CA SER A 80 -6.029 3.441 7.107 1.00 0.00 C ATOM 1210 C SER A 80 -7.138 2.555 7.676 1.00 0.00 C ATOM 1211 O SER A 80 -8.290 2.934 7.747 1.00 0.00 O ATOM 1212 CB SER A 80 -5.771 3.096 5.640 1.00 0.00 C ATOM 1213 OG SER A 80 -5.387 1.731 5.539 1.00 0.00 O ATOM 0 H SER A 80 -4.010 2.796 7.417 1.00 0.00 H new ATOM 0 HA SER A 80 -6.316 4.491 7.154 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.668 3.278 5.048 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.987 3.737 5.236 1.00 0.00 H new ATOM 0 HG SER A 80 -4.824 1.492 6.305 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.775 1.364 8.071 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.764 0.398 8.638 1.00 0.00 C ATOM 1221 C VAL A 81 -8.722 1.124 9.585 1.00 0.00 C ATOM 1222 O VAL A 81 -9.926 0.995 9.480 1.00 0.00 O ATOM 1223 CB VAL A 81 -7.027 -0.695 9.416 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -8.013 -1.799 9.798 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.919 -1.288 8.548 1.00 0.00 C ATOM 0 H VAL A 81 -5.819 1.013 8.024 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.330 -0.047 7.820 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.590 -0.263 10.316 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.490 -2.578 10.352 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.805 -1.381 10.420 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.449 -2.226 8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.397 -2.066 9.106 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.354 -1.718 7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.214 -0.504 8.272 1.00 0.00 H new