USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=18 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 71 GLN :FLIP amide:sc= -3.11! C(o=-5.2!,f=-3.6!) USER MOD Set 1.2: A 72 ASN : amide:sc= -0.515 K(o=-3.6,f=-7.4!) USER MOD Set 2.1: A 66 THR OG1 : rot -128:sc= -0.372 USER MOD Set 2.2: A 69 GLN :FLIP amide:sc= -0.322 F(o=-1.5,f=-0.69) 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 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00645 USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= -0.333 (180deg=-1.44!) USER MOD Single : A 34 GLN : amide:sc= -0.0148 K(o=-0.015,f=-0.7) USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.143) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.324 F(o=-2.3,f=-0.32) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 120:sc= 0.353 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=-0.00918 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -2.76! C(o=-4.6!,f=-2.8!) USER MOD Single : A 74 GLN :FLIP amide:sc= -11.6! C(o=-14!,f=-12!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 79 ASN : amide:sc= -1.65 K(o=-1.7,f=-2.5!) USER MOD Single : A 80 SER OG : rot -29:sc= 0.372 USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 13 15.772 -1.952 -5.556 1.00 0.00 N ATOM 148 CA ILE A 13 14.283 -1.893 -5.474 1.00 0.00 C ATOM 149 C ILE A 13 13.767 -3.160 -4.785 1.00 0.00 C ATOM 150 O ILE A 13 14.289 -4.239 -4.989 1.00 0.00 O ATOM 151 CB ILE A 13 13.704 -1.808 -6.891 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.444 -0.722 -7.686 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.212 -1.467 -6.831 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.464 0.591 -6.896 1.00 0.00 C ATOM 0 HA ILE A 13 13.977 -1.017 -4.902 1.00 0.00 H new ATOM 0 HB ILE A 13 13.830 -2.772 -7.383 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.464 -1.045 -7.895 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.955 -0.569 -8.648 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.811 -1.409 -7.843 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.684 -2.242 -6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.078 -0.507 -6.332 1.00 0.00 H new ATOM 0 HD11 ILE A 13 14.991 1.353 -7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.441 0.919 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.974 0.436 -5.945 1.00 0.00 H new ATOM 166 N ILE A 14 12.771 -3.033 -3.943 1.00 0.00 N ATOM 167 CA ILE A 14 12.231 -4.215 -3.198 1.00 0.00 C ATOM 168 C ILE A 14 10.723 -4.337 -3.435 1.00 0.00 C ATOM 169 O ILE A 14 10.045 -3.351 -3.647 1.00 0.00 O ATOM 170 CB ILE A 14 12.494 -3.985 -1.707 1.00 0.00 C ATOM 171 CG1 ILE A 14 14.004 -3.878 -1.482 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.938 -5.148 -0.882 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.281 -3.436 -0.046 1.00 0.00 C ATOM 0 H ILE A 14 12.303 -2.150 -3.737 1.00 0.00 H new ATOM 0 HA ILE A 14 12.713 -5.131 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 14 12.000 -3.066 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.479 -4.840 -1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.436 -3.163 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.133 -4.970 0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.863 -5.228 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.422 -6.076 -1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.357 -3.361 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.820 -2.464 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.864 -4.167 0.647 1.00 0.00 H new ATOM 185 N THR A 15 10.186 -5.532 -3.375 1.00 0.00 N ATOM 186 CA THR A 15 8.715 -5.730 -3.566 1.00 0.00 C ATOM 187 C THR A 15 8.176 -6.575 -2.420 1.00 0.00 C ATOM 188 O THR A 15 8.811 -7.498 -1.950 1.00 0.00 O ATOM 189 CB THR A 15 8.428 -6.445 -4.883 1.00 0.00 C ATOM 190 OG1 THR A 15 7.022 -6.504 -5.084 1.00 0.00 O ATOM 191 CG2 THR A 15 8.990 -7.863 -4.853 1.00 0.00 C ATOM 0 H THR A 15 10.711 -6.389 -3.200 1.00 0.00 H new ATOM 0 HA THR A 15 8.232 -4.753 -3.585 1.00 0.00 H new ATOM 0 HB THR A 15 8.902 -5.894 -5.696 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.831 -6.961 -5.930 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.777 -8.359 -5.800 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.068 -7.824 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.527 -8.421 -4.039 1.00 0.00 H new ATOM 199 N THR A 16 7.005 -6.255 -1.978 1.00 0.00 N ATOM 200 CA THR A 16 6.372 -7.016 -0.857 1.00 0.00 C ATOM 201 C THR A 16 4.865 -7.117 -1.121 1.00 0.00 C ATOM 202 O THR A 16 4.285 -6.216 -1.694 1.00 0.00 O ATOM 203 CB THR A 16 6.623 -6.275 0.462 1.00 0.00 C ATOM 204 OG1 THR A 16 5.956 -6.950 1.518 1.00 0.00 O ATOM 205 CG2 THR A 16 6.101 -4.843 0.357 1.00 0.00 C ATOM 0 H THR A 16 6.442 -5.488 -2.345 1.00 0.00 H new ATOM 0 HA THR A 16 6.800 -8.016 -0.790 1.00 0.00 H new ATOM 0 HB THR A 16 7.694 -6.252 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.117 -6.478 2.362 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.281 -4.320 1.296 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.618 -4.326 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.031 -4.860 0.151 1.00 0.00 H new ATOM 213 N GLN A 17 4.225 -8.199 -0.724 1.00 0.00 N ATOM 214 CA GLN A 17 2.745 -8.334 -0.982 1.00 0.00 C ATOM 215 C GLN A 17 1.967 -8.332 0.336 1.00 0.00 C ATOM 216 O GLN A 17 2.430 -8.812 1.352 1.00 0.00 O ATOM 217 CB GLN A 17 2.466 -9.639 -1.731 1.00 0.00 C ATOM 218 CG GLN A 17 3.038 -9.552 -3.147 1.00 0.00 C ATOM 219 CD GLN A 17 2.997 -10.936 -3.800 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.919 -11.714 -3.661 1.00 0.00 O ATOM 221 NE2 GLN A 17 1.957 -11.276 -4.511 1.00 0.00 N ATOM 0 H GLN A 17 4.656 -8.986 -0.238 1.00 0.00 H new ATOM 0 HA GLN A 17 2.422 -7.486 -1.586 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.913 -10.478 -1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.393 -9.824 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.463 -8.841 -3.740 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.063 -9.184 -3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.183 -10.622 -4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.918 -12.196 -4.950 1.00 0.00 H new ATOM 230 N VAL A 18 0.772 -7.787 0.308 1.00 0.00 N ATOM 231 CA VAL A 18 -0.093 -7.728 1.527 1.00 0.00 C ATOM 232 C VAL A 18 -1.415 -8.440 1.217 1.00 0.00 C ATOM 233 O VAL A 18 -1.860 -8.476 0.090 1.00 0.00 O ATOM 234 CB VAL A 18 -0.373 -6.252 1.856 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.839 -6.110 3.308 1.00 0.00 C ATOM 236 CG2 VAL A 18 0.906 -5.438 1.653 1.00 0.00 C ATOM 0 H VAL A 18 0.354 -7.373 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 18 0.398 -8.208 2.373 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.158 -5.884 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.033 -5.060 3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.752 -6.686 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.063 -6.482 3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.712 -4.391 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.687 -5.817 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.232 -5.525 0.617 1.00 0.00 H new ATOM 246 N THR A 19 -2.037 -9.005 2.217 1.00 0.00 N ATOM 247 CA THR A 19 -3.339 -9.726 2.024 1.00 0.00 C ATOM 248 C THR A 19 -4.324 -9.213 3.074 1.00 0.00 C ATOM 249 O THR A 19 -4.509 -9.814 4.114 1.00 0.00 O ATOM 250 CB THR A 19 -3.118 -11.225 2.230 1.00 0.00 C ATOM 251 OG1 THR A 19 -1.949 -11.630 1.531 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.326 -12.002 1.702 1.00 0.00 C ATOM 0 H THR A 19 -1.695 -9.000 3.178 1.00 0.00 H new ATOM 0 HA THR A 19 -3.727 -9.553 1.020 1.00 0.00 H new ATOM 0 HB THR A 19 -2.996 -11.430 3.294 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.805 -12.590 1.663 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.165 -13.070 1.850 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.222 -11.692 2.240 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.453 -11.799 0.639 1.00 0.00 H new ATOM 260 N ILE A 20 -4.944 -8.102 2.817 1.00 0.00 N ATOM 261 CA ILE A 20 -5.912 -7.523 3.798 1.00 0.00 C ATOM 262 C ILE A 20 -7.258 -8.278 3.703 1.00 0.00 C ATOM 263 O ILE A 20 -7.640 -8.702 2.631 1.00 0.00 O ATOM 264 CB ILE A 20 -6.160 -6.022 3.446 1.00 0.00 C ATOM 265 CG1 ILE A 20 -5.695 -5.727 2.011 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.392 -5.103 4.407 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.014 -4.273 1.627 1.00 0.00 C ATOM 0 H ILE A 20 -4.825 -7.560 1.962 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.504 -7.614 4.805 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.229 -5.832 3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.623 -5.904 1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.186 -6.408 1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.580 -4.062 4.143 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.726 -5.284 5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.324 -5.309 4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.677 -4.084 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.089 -4.108 1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.502 -3.596 2.310 1.00 0.00 H new ATOM 279 N PRO A 21 -8.012 -8.392 4.775 1.00 0.00 N ATOM 280 CA PRO A 21 -9.348 -9.043 4.684 1.00 0.00 C ATOM 281 C PRO A 21 -10.219 -8.322 3.640 1.00 0.00 C ATOM 282 O PRO A 21 -9.857 -7.271 3.157 1.00 0.00 O ATOM 283 CB PRO A 21 -9.910 -8.883 6.112 1.00 0.00 C ATOM 284 CG PRO A 21 -8.838 -8.199 6.988 1.00 0.00 C ATOM 285 CD PRO A 21 -7.601 -7.901 6.119 1.00 0.00 C ATOM 0 HA PRO A 21 -9.314 -10.085 4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.822 -8.287 6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.173 -9.856 6.527 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.231 -7.276 7.413 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.566 -8.844 7.823 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.364 -6.837 6.105 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.715 -8.420 6.485 1.00 0.00 H new ATOM 293 N LYS A 22 -11.340 -8.873 3.265 1.00 0.00 N ATOM 294 CA LYS A 22 -12.176 -8.204 2.230 1.00 0.00 C ATOM 295 C LYS A 22 -12.931 -7.002 2.825 1.00 0.00 C ATOM 296 O LYS A 22 -13.047 -5.967 2.200 1.00 0.00 O ATOM 297 CB LYS A 22 -13.170 -9.222 1.660 1.00 0.00 C ATOM 298 CG LYS A 22 -14.168 -8.516 0.742 1.00 0.00 C ATOM 299 CD LYS A 22 -14.964 -9.552 -0.074 1.00 0.00 C ATOM 300 CE LYS A 22 -14.198 -9.935 -1.346 1.00 0.00 C ATOM 301 NZ LYS A 22 -15.038 -10.849 -2.172 1.00 0.00 N ATOM 0 H LYS A 22 -11.711 -9.751 3.627 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.529 -7.832 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.636 -9.994 1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.699 -9.721 2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.850 -7.907 1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.640 -7.840 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.144 -10.441 0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.940 -9.144 -0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.946 -9.040 -1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.258 -10.422 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.521 -11.110 -3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.257 -11.707 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.923 -10.368 -2.431 1.00 0.00 H new ATOM 315 N ASP A 23 -13.477 -7.135 4.002 1.00 0.00 N ATOM 316 CA ASP A 23 -14.253 -6.002 4.594 1.00 0.00 C ATOM 317 C ASP A 23 -13.363 -4.774 4.834 1.00 0.00 C ATOM 318 O ASP A 23 -13.756 -3.644 4.584 1.00 0.00 O ATOM 319 CB ASP A 23 -14.877 -6.448 5.916 1.00 0.00 C ATOM 320 CG ASP A 23 -15.680 -5.295 6.519 1.00 0.00 C ATOM 321 OD1 ASP A 23 -15.090 -4.259 6.775 1.00 0.00 O ATOM 322 OD2 ASP A 23 -16.872 -5.466 6.714 1.00 0.00 O ATOM 0 H ASP A 23 -13.422 -7.974 4.580 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.033 -5.720 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.525 -7.309 5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.098 -6.763 6.610 1.00 0.00 H new ATOM 327 N LEU A 24 -12.158 -4.976 5.285 1.00 0.00 N ATOM 328 CA LEU A 24 -11.240 -3.830 5.518 1.00 0.00 C ATOM 329 C LEU A 24 -10.645 -3.404 4.183 1.00 0.00 C ATOM 330 O LEU A 24 -10.277 -2.262 3.988 1.00 0.00 O ATOM 331 CB LEU A 24 -10.102 -4.257 6.456 1.00 0.00 C ATOM 332 CG LEU A 24 -10.659 -4.889 7.746 1.00 0.00 C ATOM 333 CD1 LEU A 24 -9.522 -5.059 8.776 1.00 0.00 C ATOM 334 CD2 LEU A 24 -11.761 -3.997 8.340 1.00 0.00 C ATOM 0 H LEU A 24 -11.768 -5.893 5.504 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.791 -3.006 5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.455 -4.971 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.488 -3.392 6.706 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.082 -5.865 7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.920 -5.506 9.687 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.749 -5.707 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.093 -4.084 9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.147 -4.454 9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.348 -3.015 8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.570 -3.888 7.618 1.00 0.00 H new ATOM 346 N ALA A 25 -10.538 -4.320 3.261 1.00 0.00 N ATOM 347 CA ALA A 25 -9.957 -3.978 1.939 1.00 0.00 C ATOM 348 C ALA A 25 -10.775 -2.859 1.307 1.00 0.00 C ATOM 349 O ALA A 25 -10.255 -1.970 0.666 1.00 0.00 O ATOM 350 CB ALA A 25 -10.024 -5.199 1.027 1.00 0.00 C ATOM 0 H ALA A 25 -10.829 -5.292 3.369 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.922 -3.663 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.598 -4.951 0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.459 -6.018 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.063 -5.502 0.901 1.00 0.00 H new ATOM 356 N ARG A 26 -12.071 -2.917 1.478 1.00 0.00 N ATOM 357 CA ARG A 26 -12.950 -1.881 0.878 1.00 0.00 C ATOM 358 C ARG A 26 -12.818 -0.590 1.674 1.00 0.00 C ATOM 359 O ARG A 26 -12.886 0.491 1.124 1.00 0.00 O ATOM 360 CB ARG A 26 -14.403 -2.358 0.876 1.00 0.00 C ATOM 361 CG ARG A 26 -14.532 -3.588 -0.025 1.00 0.00 C ATOM 362 CD ARG A 26 -15.974 -4.097 0.005 1.00 0.00 C ATOM 363 NE ARG A 26 -16.103 -5.277 -0.895 1.00 0.00 N ATOM 364 CZ ARG A 26 -17.146 -6.055 -0.808 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.079 -5.801 0.069 1.00 0.00 N ATOM 366 NH2 ARG A 26 -17.257 -7.089 -1.597 1.00 0.00 N ATOM 0 H ARG A 26 -12.555 -3.641 2.009 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.647 -1.701 -0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.719 -2.602 1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.058 -1.563 0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.246 -3.335 -1.046 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.852 -4.371 0.312 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.253 -4.370 1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.656 -3.308 -0.312 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.374 -5.477 -1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -17.992 -4.994 0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.895 -6.410 0.137 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.528 -7.289 -2.282 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.073 -7.697 -1.529 1.00 0.00 H new ATOM 380 N SER A 27 -12.616 -0.675 2.961 1.00 0.00 N ATOM 381 CA SER A 27 -12.469 0.571 3.760 1.00 0.00 C ATOM 382 C SER A 27 -11.160 1.264 3.366 1.00 0.00 C ATOM 383 O SER A 27 -11.030 2.467 3.470 1.00 0.00 O ATOM 384 CB SER A 27 -12.434 0.221 5.250 1.00 0.00 C ATOM 385 OG SER A 27 -13.398 -0.790 5.516 1.00 0.00 O ATOM 0 H SER A 27 -12.547 -1.545 3.488 1.00 0.00 H new ATOM 0 HA SER A 27 -13.311 1.236 3.566 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.439 -0.125 5.531 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.644 1.107 5.849 1.00 0.00 H new ATOM 0 HG SER A 27 -13.378 -1.019 6.469 1.00 0.00 H new ATOM 391 N ILE A 28 -10.169 0.508 2.960 1.00 0.00 N ATOM 392 CA ILE A 28 -8.853 1.117 2.616 1.00 0.00 C ATOM 393 C ILE A 28 -8.852 1.640 1.178 1.00 0.00 C ATOM 394 O ILE A 28 -8.347 2.708 0.895 1.00 0.00 O ATOM 395 CB ILE A 28 -7.774 0.044 2.763 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.698 -0.423 4.227 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.429 0.619 2.331 1.00 0.00 C ATOM 398 CD1 ILE A 28 -7.036 -1.804 4.291 1.00 0.00 C ATOM 0 H ILE A 28 -10.218 -0.505 2.853 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.660 1.956 3.285 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.022 -0.810 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.128 0.293 4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.698 -0.467 4.658 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.657 -0.144 2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.487 0.938 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.180 1.474 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.983 -2.134 5.328 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.625 -2.517 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.030 -1.745 3.877 1.00 0.00 H new ATOM 410 N ILE A 29 -9.394 0.884 0.265 1.00 0.00 N ATOM 411 CA ILE A 29 -9.396 1.334 -1.156 1.00 0.00 C ATOM 412 C ILE A 29 -10.300 2.557 -1.315 1.00 0.00 C ATOM 413 O ILE A 29 -10.016 3.442 -2.092 1.00 0.00 O ATOM 414 CB ILE A 29 -9.888 0.197 -2.062 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.965 -1.027 -1.914 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.879 0.665 -3.521 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.687 -2.278 -2.421 1.00 0.00 C ATOM 0 H ILE A 29 -9.833 -0.020 0.438 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.381 1.605 -1.445 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.902 -0.078 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.045 -0.872 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.681 -1.157 -0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.228 -0.143 -4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.537 1.527 -3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.865 0.944 -3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.033 -3.143 -2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.594 -2.436 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.949 -2.147 -3.471 1.00 0.00 H new ATOM 429 N GLY A 30 -11.393 2.626 -0.608 1.00 0.00 N ATOM 430 CA GLY A 30 -12.302 3.802 -0.763 1.00 0.00 C ATOM 431 C GLY A 30 -13.302 3.495 -1.878 1.00 0.00 C ATOM 432 O GLY A 30 -13.345 2.397 -2.396 1.00 0.00 O ATOM 0 H GLY A 30 -11.697 1.925 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.826 4.002 0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.727 4.696 -1.004 1.00 0.00 H new ATOM 436 N LYS A 31 -14.113 4.450 -2.257 1.00 0.00 N ATOM 437 CA LYS A 31 -15.111 4.197 -3.342 1.00 0.00 C ATOM 438 C LYS A 31 -14.506 4.578 -4.698 1.00 0.00 C ATOM 439 O LYS A 31 -15.143 4.461 -5.725 1.00 0.00 O ATOM 440 CB LYS A 31 -16.361 5.041 -3.084 1.00 0.00 C ATOM 441 CG LYS A 31 -17.227 4.373 -2.010 1.00 0.00 C ATOM 442 CD LYS A 31 -16.414 4.213 -0.717 1.00 0.00 C ATOM 443 CE LYS A 31 -17.349 3.938 0.469 1.00 0.00 C ATOM 444 NZ LYS A 31 -18.389 5.003 0.549 1.00 0.00 N ATOM 0 H LYS A 31 -14.128 5.391 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.378 3.140 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.075 6.042 -2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -16.932 5.153 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -18.116 4.974 -1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -17.569 3.399 -2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -15.703 3.394 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.834 5.117 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.822 2.963 0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.776 3.906 1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.700 5.112 1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.992 5.902 0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.202 4.739 -0.043 1.00 0.00 H new ATOM 458 N GLY A 32 -13.286 5.039 -4.710 1.00 0.00 N ATOM 459 CA GLY A 32 -12.646 5.434 -6.000 1.00 0.00 C ATOM 460 C GLY A 32 -11.129 5.315 -5.873 1.00 0.00 C ATOM 461 O GLY A 32 -10.393 5.909 -6.634 1.00 0.00 O ATOM 0 H GLY A 32 -12.703 5.160 -3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.005 4.795 -6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.921 6.457 -6.256 1.00 0.00 H new ATOM 465 N GLY A 33 -10.644 4.573 -4.919 1.00 0.00 N ATOM 466 CA GLY A 33 -9.167 4.460 -4.767 1.00 0.00 C ATOM 467 C GLY A 33 -8.636 5.774 -4.192 1.00 0.00 C ATOM 468 O GLY A 33 -7.486 5.871 -3.812 1.00 0.00 O ATOM 0 H GLY A 33 -11.198 4.045 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.917 3.629 -4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.702 4.253 -5.731 1.00 0.00 H new ATOM 472 N GLN A 34 -9.466 6.795 -4.162 1.00 0.00 N ATOM 473 CA GLN A 34 -9.036 8.138 -3.651 1.00 0.00 C ATOM 474 C GLN A 34 -8.041 7.993 -2.494 1.00 0.00 C ATOM 475 O GLN A 34 -7.198 8.843 -2.287 1.00 0.00 O ATOM 476 CB GLN A 34 -10.274 8.866 -3.125 1.00 0.00 C ATOM 477 CG GLN A 34 -10.904 8.051 -1.994 1.00 0.00 C ATOM 478 CD GLN A 34 -12.283 8.622 -1.658 1.00 0.00 C ATOM 479 OE1 GLN A 34 -13.056 8.934 -2.542 1.00 0.00 O ATOM 480 NE2 GLN A 34 -12.625 8.774 -0.407 1.00 0.00 N ATOM 0 H GLN A 34 -10.436 6.752 -4.475 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.558 8.688 -4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.000 9.857 -2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.995 9.008 -3.930 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.994 7.006 -2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.263 8.077 -1.112 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.976 8.512 0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.541 9.155 -0.171 1.00 0.00 H new ATOM 489 N ARG A 35 -8.136 6.945 -1.720 1.00 0.00 N ATOM 490 CA ARG A 35 -7.193 6.793 -0.567 1.00 0.00 C ATOM 491 C ARG A 35 -5.886 6.158 -1.044 1.00 0.00 C ATOM 492 O ARG A 35 -4.821 6.482 -0.557 1.00 0.00 O ATOM 493 CB ARG A 35 -7.827 5.898 0.513 1.00 0.00 C ATOM 494 CG ARG A 35 -7.020 6.000 1.825 1.00 0.00 C ATOM 495 CD ARG A 35 -7.526 7.174 2.675 1.00 0.00 C ATOM 496 NE ARG A 35 -8.941 6.926 3.070 1.00 0.00 N ATOM 497 CZ ARG A 35 -9.485 7.630 4.025 1.00 0.00 C ATOM 498 NH1 ARG A 35 -8.793 8.558 4.628 1.00 0.00 N ATOM 499 NH2 ARG A 35 -10.722 7.409 4.376 1.00 0.00 N ATOM 0 H ARG A 35 -8.817 6.194 -1.832 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.987 7.778 -0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.860 6.201 0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.851 4.863 0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.109 5.071 2.387 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.962 6.136 1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.904 7.289 3.563 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.452 8.104 2.111 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.485 6.206 2.594 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.827 8.733 4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.219 9.108 5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.265 6.686 3.904 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.146 7.960 5.122 1.00 0.00 H new ATOM 513 N ILE A 36 -5.945 5.268 -1.997 1.00 0.00 N ATOM 514 CA ILE A 36 -4.688 4.640 -2.494 1.00 0.00 C ATOM 515 C ILE A 36 -3.934 5.659 -3.370 1.00 0.00 C ATOM 516 O ILE A 36 -2.728 5.607 -3.495 1.00 0.00 O ATOM 517 CB ILE A 36 -5.027 3.340 -3.266 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.987 2.132 -2.303 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.049 3.108 -4.428 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.541 1.656 -2.071 1.00 0.00 C ATOM 0 H ILE A 36 -6.802 4.951 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.039 4.364 -1.663 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.029 3.447 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.440 2.407 -1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.581 1.315 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.315 2.188 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.103 3.947 -5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.034 3.024 -4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.543 0.805 -1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.099 1.358 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.956 2.467 -1.637 1.00 0.00 H new ATOM 532 N LYS A 37 -4.633 6.589 -3.964 1.00 0.00 N ATOM 533 CA LYS A 37 -3.944 7.605 -4.808 1.00 0.00 C ATOM 534 C LYS A 37 -3.164 8.559 -3.900 1.00 0.00 C ATOM 535 O LYS A 37 -2.007 8.847 -4.135 1.00 0.00 O ATOM 536 CB LYS A 37 -4.981 8.397 -5.607 1.00 0.00 C ATOM 537 CG LYS A 37 -5.828 7.434 -6.441 1.00 0.00 C ATOM 538 CD LYS A 37 -6.784 8.234 -7.329 1.00 0.00 C ATOM 539 CE LYS A 37 -7.778 7.281 -7.996 1.00 0.00 C ATOM 540 NZ LYS A 37 -7.057 6.408 -8.966 1.00 0.00 N ATOM 0 H LYS A 37 -5.646 6.688 -3.901 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.262 7.108 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.619 8.967 -4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.483 9.116 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.184 6.805 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.392 6.769 -5.787 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.318 8.974 -6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.222 8.780 -8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.275 6.671 -7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.554 7.849 -8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.747 5.882 -9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.466 6.995 -9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.454 5.737 -8.448 1.00 0.00 H new ATOM 554 N GLN A 38 -3.787 9.054 -2.866 1.00 0.00 N ATOM 555 CA GLN A 38 -3.076 9.991 -1.949 1.00 0.00 C ATOM 556 C GLN A 38 -1.857 9.292 -1.343 1.00 0.00 C ATOM 557 O GLN A 38 -0.761 9.816 -1.354 1.00 0.00 O ATOM 558 CB GLN A 38 -4.023 10.429 -0.829 1.00 0.00 C ATOM 559 CG GLN A 38 -5.147 11.291 -1.410 1.00 0.00 C ATOM 560 CD GLN A 38 -4.578 12.623 -1.911 1.00 0.00 C ATOM 561 OE1 GLN A 38 -3.370 12.981 -1.565 1.00 0.00 O flip ATOM 562 NE2 GLN A 38 -5.240 13.346 -2.628 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.755 8.851 -2.616 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.749 10.866 -2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.443 9.554 -0.332 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.473 10.992 -0.074 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.635 10.763 -2.229 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.907 11.473 -0.650 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.183 13.069 -2.900 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.853 14.230 -2.958 1.00 0.00 H new ATOM 571 N ILE A 39 -2.035 8.111 -0.815 1.00 0.00 N ATOM 572 CA ILE A 39 -0.884 7.383 -0.211 1.00 0.00 C ATOM 573 C ILE A 39 0.212 7.192 -1.263 1.00 0.00 C ATOM 574 O ILE A 39 1.388 7.217 -0.961 1.00 0.00 O ATOM 575 CB ILE A 39 -1.351 6.015 0.289 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.374 6.205 1.413 1.00 0.00 C ATOM 577 CG2 ILE A 39 -0.152 5.228 0.821 1.00 0.00 C ATOM 578 CD1 ILE A 39 -3.041 4.864 1.728 1.00 0.00 C ATOM 0 H ILE A 39 -2.928 7.620 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.489 7.962 0.624 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.810 5.466 -0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.883 6.597 2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.126 6.936 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.486 4.253 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.577 5.092 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.308 5.777 1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.769 4.999 2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.546 4.490 0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.284 4.146 2.044 1.00 0.00 H new ATOM 590 N ARG A 40 -0.168 6.994 -2.495 1.00 0.00 N ATOM 591 CA ARG A 40 0.845 6.792 -3.570 1.00 0.00 C ATOM 592 C ARG A 40 1.753 8.021 -3.673 1.00 0.00 C ATOM 593 O ARG A 40 2.962 7.910 -3.698 1.00 0.00 O ATOM 594 CB ARG A 40 0.128 6.574 -4.908 1.00 0.00 C ATOM 595 CG ARG A 40 1.099 5.964 -5.922 1.00 0.00 C ATOM 596 CD ARG A 40 0.404 5.831 -7.279 1.00 0.00 C ATOM 597 NE ARG A 40 0.311 7.172 -7.921 1.00 0.00 N ATOM 598 CZ ARG A 40 0.028 7.270 -9.190 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.174 6.192 -9.899 1.00 0.00 N ATOM 600 NH2 ARG A 40 -0.051 8.445 -9.753 1.00 0.00 N ATOM 0 H ARG A 40 -1.139 6.963 -2.805 1.00 0.00 H new ATOM 0 HA ARG A 40 1.453 5.919 -3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.729 5.915 -4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.257 7.522 -5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.985 6.591 -6.016 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.435 4.986 -5.577 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.961 5.147 -7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.592 5.408 -7.150 1.00 0.00 H new ATOM 0 HE ARG A 40 0.469 8.014 -7.367 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.110 5.274 -9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.395 6.269 -10.892 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.109 9.287 -9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.272 8.521 -10.746 1.00 0.00 H new ATOM 614 N HIS A 41 1.180 9.191 -3.744 1.00 0.00 N ATOM 615 CA HIS A 41 2.011 10.424 -3.856 1.00 0.00 C ATOM 616 C HIS A 41 2.639 10.760 -2.501 1.00 0.00 C ATOM 617 O HIS A 41 3.768 11.202 -2.424 1.00 0.00 O ATOM 618 CB HIS A 41 1.129 11.590 -4.311 1.00 0.00 C ATOM 619 CG HIS A 41 1.975 12.818 -4.492 1.00 0.00 C ATOM 620 ND1 HIS A 41 1.677 14.020 -3.869 1.00 0.00 N ATOM 621 CD2 HIS A 41 3.113 13.049 -5.224 1.00 0.00 C ATOM 622 CE1 HIS A 41 2.617 14.911 -4.234 1.00 0.00 C ATOM 623 NE2 HIS A 41 3.517 14.371 -5.059 1.00 0.00 N ATOM 0 H HIS A 41 0.172 9.347 -3.729 1.00 0.00 H new ATOM 0 HA HIS A 41 2.805 10.255 -4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.630 11.338 -5.247 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.349 11.779 -3.574 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.618 12.316 -5.835 1.00 0.00 H new ATOM 0 HE1 HIS A 41 2.640 15.938 -3.900 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.326 14.829 -5.478 1.00 0.00 H new ATOM 631 N GLU A 42 1.918 10.564 -1.432 1.00 0.00 N ATOM 632 CA GLU A 42 2.478 10.883 -0.088 1.00 0.00 C ATOM 633 C GLU A 42 3.694 9.997 0.199 1.00 0.00 C ATOM 634 O GLU A 42 4.698 10.455 0.707 1.00 0.00 O ATOM 635 CB GLU A 42 1.411 10.652 0.984 1.00 0.00 C ATOM 636 CG GLU A 42 1.876 11.263 2.308 1.00 0.00 C ATOM 637 CD GLU A 42 1.830 12.789 2.210 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.757 13.343 2.388 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.869 13.379 1.960 1.00 0.00 O ATOM 0 H GLU A 42 0.966 10.197 -1.430 1.00 0.00 H new ATOM 0 HA GLU A 42 2.787 11.928 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.467 11.102 0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.230 9.584 1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.238 10.921 3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.889 10.933 2.537 1.00 0.00 H new ATOM 646 N SER A 43 3.613 8.729 -0.107 1.00 0.00 N ATOM 647 CA SER A 43 4.767 7.820 0.169 1.00 0.00 C ATOM 648 C SER A 43 5.749 7.838 -1.005 1.00 0.00 C ATOM 649 O SER A 43 6.905 7.497 -0.860 1.00 0.00 O ATOM 650 CB SER A 43 4.255 6.396 0.386 1.00 0.00 C ATOM 651 OG SER A 43 5.335 5.483 0.240 1.00 0.00 O ATOM 0 H SER A 43 2.801 8.283 -0.535 1.00 0.00 H new ATOM 0 HA SER A 43 5.282 8.165 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.816 6.302 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.469 6.166 -0.333 1.00 0.00 H new ATOM 0 HG SER A 43 5.455 4.982 1.074 1.00 0.00 H new ATOM 657 N GLY A 44 5.298 8.213 -2.171 1.00 0.00 N ATOM 658 CA GLY A 44 6.213 8.224 -3.347 1.00 0.00 C ATOM 659 C GLY A 44 6.374 6.788 -3.840 1.00 0.00 C ATOM 660 O GLY A 44 7.079 6.513 -4.792 1.00 0.00 O ATOM 0 H GLY A 44 4.341 8.511 -2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.807 8.854 -4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.181 8.642 -3.071 1.00 0.00 H new ATOM 664 N ALA A 45 5.719 5.873 -3.185 1.00 0.00 N ATOM 665 CA ALA A 45 5.806 4.441 -3.579 1.00 0.00 C ATOM 666 C ALA A 45 4.802 4.142 -4.691 1.00 0.00 C ATOM 667 O ALA A 45 3.835 4.850 -4.887 1.00 0.00 O ATOM 668 CB ALA A 45 5.479 3.570 -2.364 1.00 0.00 C ATOM 0 H ALA A 45 5.118 6.059 -2.382 1.00 0.00 H new ATOM 0 HA ALA A 45 6.813 4.227 -3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.540 2.518 -2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.193 3.776 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.471 3.795 -2.016 1.00 0.00 H new ATOM 674 N SER A 46 5.011 3.051 -5.381 1.00 0.00 N ATOM 675 CA SER A 46 4.063 2.623 -6.451 1.00 0.00 C ATOM 676 C SER A 46 3.312 1.411 -5.903 1.00 0.00 C ATOM 677 O SER A 46 3.883 0.609 -5.192 1.00 0.00 O ATOM 678 CB SER A 46 4.843 2.221 -7.705 1.00 0.00 C ATOM 679 OG SER A 46 5.549 3.351 -8.200 1.00 0.00 O ATOM 0 H SER A 46 5.809 2.431 -5.246 1.00 0.00 H new ATOM 0 HA SER A 46 3.379 3.428 -6.719 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.540 1.416 -7.472 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.161 1.842 -8.466 1.00 0.00 H new ATOM 0 HG SER A 46 6.051 3.097 -9.002 1.00 0.00 H new ATOM 685 N ILE A 47 2.043 1.264 -6.191 1.00 0.00 N ATOM 686 CA ILE A 47 1.276 0.099 -5.645 1.00 0.00 C ATOM 687 C ILE A 47 0.357 -0.474 -6.723 1.00 0.00 C ATOM 688 O ILE A 47 -0.305 0.252 -7.438 1.00 0.00 O ATOM 689 CB ILE A 47 0.423 0.561 -4.451 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.342 0.995 -3.300 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.477 -0.590 -3.974 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.511 1.652 -2.196 1.00 0.00 C ATOM 0 H ILE A 47 1.504 1.899 -6.780 1.00 0.00 H new ATOM 0 HA ILE A 47 1.979 -0.669 -5.324 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.199 1.401 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.875 0.131 -2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.095 1.693 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.078 -0.255 -3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.134 -0.899 -4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.142 -1.433 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.166 1.959 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.002 2.526 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.225 0.940 -1.822 1.00 0.00 H new ATOM 704 N LYS A 48 0.306 -1.774 -6.835 1.00 0.00 N ATOM 705 CA LYS A 48 -0.566 -2.437 -7.848 1.00 0.00 C ATOM 706 C LYS A 48 -1.530 -3.356 -7.106 1.00 0.00 C ATOM 707 O LYS A 48 -1.119 -4.142 -6.276 1.00 0.00 O ATOM 708 CB LYS A 48 0.308 -3.275 -8.785 1.00 0.00 C ATOM 709 CG LYS A 48 -0.535 -3.794 -9.955 1.00 0.00 C ATOM 710 CD LYS A 48 0.339 -4.641 -10.897 1.00 0.00 C ATOM 711 CE LYS A 48 0.440 -6.080 -10.375 1.00 0.00 C ATOM 712 NZ LYS A 48 1.174 -6.915 -11.368 1.00 0.00 N ATOM 0 H LYS A 48 0.844 -2.418 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.115 -1.696 -8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.136 -2.673 -9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.744 -4.112 -8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.365 -4.392 -9.579 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.968 -2.956 -10.502 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.087 -4.639 -11.900 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.334 -4.203 -10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.958 -6.095 -9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.556 -6.488 -10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.244 -7.891 -11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.662 -6.909 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.129 -6.528 -11.508 1.00 0.00 H new ATOM 726 N ILE A 49 -2.806 -3.274 -7.379 1.00 0.00 N ATOM 727 CA ILE A 49 -3.793 -4.144 -6.674 1.00 0.00 C ATOM 728 C ILE A 49 -4.162 -5.313 -7.589 1.00 0.00 C ATOM 729 O ILE A 49 -4.416 -5.134 -8.764 1.00 0.00 O ATOM 730 CB ILE A 49 -5.036 -3.308 -6.349 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.612 -2.100 -5.506 1.00 0.00 C ATOM 732 CG2 ILE A 49 -6.041 -4.151 -5.562 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.781 -1.127 -5.365 1.00 0.00 C ATOM 0 H ILE A 49 -3.209 -2.637 -8.066 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.372 -4.536 -5.749 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.504 -2.973 -7.275 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.282 -2.431 -4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.765 -1.599 -5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.921 -3.550 -5.335 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.336 -5.015 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.583 -4.489 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.472 -0.271 -4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.091 -0.785 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.616 -1.630 -4.877 1.00 0.00 H new ATOM 745 N ASP A 50 -4.202 -6.507 -7.061 1.00 0.00 N ATOM 746 CA ASP A 50 -4.563 -7.691 -7.898 1.00 0.00 C ATOM 747 C ASP A 50 -6.061 -7.947 -7.754 1.00 0.00 C ATOM 748 O ASP A 50 -6.645 -7.669 -6.726 1.00 0.00 O ATOM 749 CB ASP A 50 -3.790 -8.915 -7.403 1.00 0.00 C ATOM 750 CG ASP A 50 -4.018 -10.085 -8.361 1.00 0.00 C ATOM 751 OD1 ASP A 50 -3.286 -10.183 -9.332 1.00 0.00 O ATOM 752 OD2 ASP A 50 -4.923 -10.864 -8.109 1.00 0.00 O ATOM 0 H ASP A 50 -4.000 -6.715 -6.083 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.313 -7.504 -8.942 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.726 -8.685 -7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.118 -9.184 -6.399 1.00 0.00 H new ATOM 757 N GLU A 51 -6.693 -8.486 -8.758 1.00 0.00 N ATOM 758 CA GLU A 51 -8.149 -8.764 -8.644 1.00 0.00 C ATOM 759 C GLU A 51 -8.358 -9.833 -7.560 1.00 0.00 C ATOM 760 O GLU A 51 -7.498 -10.665 -7.352 1.00 0.00 O ATOM 761 CB GLU A 51 -8.657 -9.297 -9.987 1.00 0.00 C ATOM 762 CG GLU A 51 -8.737 -8.148 -10.994 1.00 0.00 C ATOM 763 CD GLU A 51 -9.211 -8.686 -12.346 1.00 0.00 C ATOM 764 OE1 GLU A 51 -10.412 -8.767 -12.542 1.00 0.00 O ATOM 765 OE2 GLU A 51 -8.364 -9.010 -13.163 1.00 0.00 O ATOM 0 H GLU A 51 -6.266 -8.745 -9.648 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.691 -7.856 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.989 -10.074 -10.358 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.639 -9.754 -9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.424 -7.382 -10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.761 -7.675 -11.101 1.00 0.00 H new ATOM 772 N PRO A 52 -9.479 -9.837 -6.871 1.00 0.00 N ATOM 773 CA PRO A 52 -9.713 -10.867 -5.820 1.00 0.00 C ATOM 774 C PRO A 52 -9.684 -12.287 -6.406 1.00 0.00 C ATOM 775 O PRO A 52 -10.153 -12.524 -7.502 1.00 0.00 O ATOM 776 CB PRO A 52 -11.115 -10.495 -5.290 1.00 0.00 C ATOM 777 CG PRO A 52 -11.711 -9.422 -6.221 1.00 0.00 C ATOM 778 CD PRO A 52 -10.573 -8.845 -7.077 1.00 0.00 C ATOM 0 HA PRO A 52 -8.948 -10.875 -5.043 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.758 -11.375 -5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.048 -10.118 -4.269 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.483 -9.856 -6.857 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.186 -8.633 -5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.855 -8.765 -8.127 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.283 -7.847 -6.748 1.00 0.00 H new ATOM 853 N ASP A 58 -10.646 -12.336 0.237 1.00 0.00 N ATOM 854 CA ASP A 58 -9.510 -11.425 0.586 1.00 0.00 C ATOM 855 C ASP A 58 -8.972 -10.726 -0.668 1.00 0.00 C ATOM 856 O ASP A 58 -9.072 -11.220 -1.773 1.00 0.00 O ATOM 857 CB ASP A 58 -8.387 -12.245 1.226 1.00 0.00 C ATOM 858 CG ASP A 58 -8.916 -12.939 2.483 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.600 -13.939 2.339 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.629 -12.458 3.567 1.00 0.00 O ATOM 0 HA ASP A 58 -9.869 -10.667 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.014 -12.985 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.549 -11.597 1.481 1.00 0.00 H new ATOM 865 N ARG A 59 -8.376 -9.576 -0.474 1.00 0.00 N ATOM 866 CA ARG A 59 -7.781 -8.799 -1.603 1.00 0.00 C ATOM 867 C ARG A 59 -6.275 -8.680 -1.360 1.00 0.00 C ATOM 868 O ARG A 59 -5.829 -8.495 -0.240 1.00 0.00 O ATOM 869 CB ARG A 59 -8.406 -7.397 -1.656 1.00 0.00 C ATOM 870 CG ARG A 59 -9.889 -7.493 -2.103 1.00 0.00 C ATOM 871 CD ARG A 59 -10.329 -6.221 -2.848 1.00 0.00 C ATOM 872 NE ARG A 59 -11.815 -6.203 -2.947 1.00 0.00 N ATOM 873 CZ ARG A 59 -12.433 -5.100 -3.274 1.00 0.00 C ATOM 874 NH1 ARG A 59 -11.748 -4.016 -3.512 1.00 0.00 N ATOM 875 NH2 ARG A 59 -13.735 -5.083 -3.362 1.00 0.00 N ATOM 0 H ARG A 59 -8.275 -9.134 0.440 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.974 -9.305 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.343 -6.925 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.849 -6.767 -2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.021 -8.360 -2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.525 -7.645 -1.231 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.977 -5.335 -2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.886 -6.196 -3.843 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.349 -7.051 -2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.730 -4.030 -3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.230 -3.154 -3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.270 -5.931 -3.175 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.218 -4.221 -3.617 1.00 0.00 H new ATOM 889 N ILE A 60 -5.486 -8.808 -2.403 1.00 0.00 N ATOM 890 CA ILE A 60 -3.999 -8.734 -2.252 1.00 0.00 C ATOM 891 C ILE A 60 -3.454 -7.434 -2.858 1.00 0.00 C ATOM 892 O ILE A 60 -4.021 -6.867 -3.772 1.00 0.00 O ATOM 893 CB ILE A 60 -3.373 -9.937 -2.955 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.757 -11.209 -2.190 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.846 -9.796 -2.976 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.503 -12.426 -3.069 1.00 0.00 C ATOM 0 H ILE A 60 -5.812 -8.961 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.745 -8.745 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.737 -9.991 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.175 -11.283 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.807 -11.169 -1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.408 -10.658 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.572 -8.886 -3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.471 -9.743 -1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.776 -13.331 -2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.104 -12.352 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.447 -12.468 -3.336 1.00 0.00 H new ATOM 908 N ILE A 61 -2.348 -6.967 -2.338 1.00 0.00 N ATOM 909 CA ILE A 61 -1.740 -5.703 -2.862 1.00 0.00 C ATOM 910 C ILE A 61 -0.220 -5.847 -2.946 1.00 0.00 C ATOM 911 O ILE A 61 0.400 -6.445 -2.092 1.00 0.00 O ATOM 912 CB ILE A 61 -2.069 -4.543 -1.919 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.586 -4.325 -1.908 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.361 -3.269 -2.414 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.939 -3.208 -0.928 1.00 0.00 C ATOM 0 H ILE A 61 -1.838 -7.406 -1.572 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.146 -5.506 -3.854 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.727 -4.773 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.933 -4.067 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.093 -5.246 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.593 -2.440 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.284 -3.434 -2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.704 -3.030 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.018 -3.056 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.607 -3.484 0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.444 -2.286 -1.234 1.00 0.00 H new ATOM 927 N THR A 62 0.380 -5.287 -3.968 1.00 0.00 N ATOM 928 CA THR A 62 1.868 -5.368 -4.127 1.00 0.00 C ATOM 929 C THR A 62 2.462 -3.962 -4.001 1.00 0.00 C ATOM 930 O THR A 62 2.051 -3.042 -4.679 1.00 0.00 O ATOM 931 CB THR A 62 2.202 -5.945 -5.507 1.00 0.00 C ATOM 932 OG1 THR A 62 1.710 -7.275 -5.592 1.00 0.00 O ATOM 933 CG2 THR A 62 3.719 -5.948 -5.709 1.00 0.00 C ATOM 0 H THR A 62 -0.101 -4.773 -4.706 1.00 0.00 H new ATOM 0 HA THR A 62 2.288 -6.013 -3.355 1.00 0.00 H new ATOM 0 HB THR A 62 1.737 -5.333 -6.279 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.921 -7.646 -6.474 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.955 -6.359 -6.691 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.097 -4.928 -5.642 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.188 -6.560 -4.938 1.00 0.00 H new ATOM 941 N ILE A 63 3.423 -3.790 -3.128 1.00 0.00 N ATOM 942 CA ILE A 63 4.060 -2.450 -2.928 1.00 0.00 C ATOM 943 C ILE A 63 5.469 -2.462 -3.528 1.00 0.00 C ATOM 944 O ILE A 63 6.244 -3.354 -3.241 1.00 0.00 O ATOM 945 CB ILE A 63 4.176 -2.188 -1.426 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.820 -2.457 -0.763 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.598 -0.734 -1.188 1.00 0.00 C ATOM 948 CD1 ILE A 63 2.876 -2.051 0.707 1.00 0.00 C ATOM 0 H ILE A 63 3.799 -4.531 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 63 3.459 -1.679 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 63 4.927 -2.848 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.037 -1.898 -1.275 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.566 -3.513 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.680 -0.550 -0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.563 -0.553 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.852 -0.064 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.910 -2.244 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.647 -2.630 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.110 -0.989 0.783 1.00 0.00 H new ATOM 960 N THR A 64 5.823 -1.493 -4.338 1.00 0.00 N ATOM 961 CA THR A 64 7.208 -1.472 -4.926 1.00 0.00 C ATOM 962 C THR A 64 7.840 -0.102 -4.683 1.00 0.00 C ATOM 963 O THR A 64 7.234 0.921 -4.929 1.00 0.00 O ATOM 964 CB THR A 64 7.132 -1.744 -6.431 1.00 0.00 C ATOM 965 OG1 THR A 64 6.347 -2.905 -6.660 1.00 0.00 O ATOM 966 CG2 THR A 64 8.541 -1.959 -6.985 1.00 0.00 C ATOM 0 H THR A 64 5.220 -0.719 -4.618 1.00 0.00 H new ATOM 0 HA THR A 64 7.816 -2.243 -4.453 1.00 0.00 H new ATOM 0 HB THR A 64 6.675 -0.891 -6.933 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.295 -3.080 -7.623 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.485 -2.152 -8.056 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.142 -1.067 -6.808 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.002 -2.811 -6.486 1.00 0.00 H new ATOM 974 N GLY A 65 9.051 -0.066 -4.186 1.00 0.00 N ATOM 975 CA GLY A 65 9.726 1.232 -3.909 1.00 0.00 C ATOM 976 C GLY A 65 10.912 0.984 -2.968 1.00 0.00 C ATOM 977 O GLY A 65 11.234 -0.144 -2.651 1.00 0.00 O ATOM 0 H GLY A 65 9.604 -0.892 -3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.071 1.684 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.025 1.932 -3.455 1.00 0.00 H new ATOM 981 N THR A 66 11.563 2.021 -2.518 1.00 0.00 N ATOM 982 CA THR A 66 12.725 1.828 -1.597 1.00 0.00 C ATOM 983 C THR A 66 12.224 1.404 -0.212 1.00 0.00 C ATOM 984 O THR A 66 11.075 1.593 0.138 1.00 0.00 O ATOM 985 CB THR A 66 13.524 3.128 -1.488 1.00 0.00 C ATOM 986 OG1 THR A 66 12.637 4.208 -1.226 1.00 0.00 O ATOM 987 CG2 THR A 66 14.265 3.382 -2.802 1.00 0.00 C ATOM 0 H THR A 66 11.344 2.991 -2.745 1.00 0.00 H new ATOM 0 HA THR A 66 13.372 1.047 -1.996 1.00 0.00 H new ATOM 0 HB THR A 66 14.245 3.045 -0.675 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.796 4.927 -1.873 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.835 4.308 -2.725 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.944 2.554 -3.003 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.545 3.465 -3.616 1.00 0.00 H new ATOM 995 N GLN A 67 13.094 0.815 0.570 1.00 0.00 N ATOM 996 CA GLN A 67 12.713 0.345 1.936 1.00 0.00 C ATOM 997 C GLN A 67 11.939 1.436 2.679 1.00 0.00 C ATOM 998 O GLN A 67 10.912 1.183 3.276 1.00 0.00 O ATOM 999 CB GLN A 67 13.990 0.000 2.724 1.00 0.00 C ATOM 1000 CG GLN A 67 13.671 -1.015 3.829 1.00 0.00 C ATOM 1001 CD GLN A 67 12.586 -0.449 4.746 1.00 0.00 C ATOM 1002 OE1 GLN A 67 11.376 -0.935 4.681 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 12.841 0.442 5.531 1.00 0.00 N flip ATOM 0 H GLN A 67 14.066 0.638 0.315 1.00 0.00 H new ATOM 0 HA GLN A 67 12.078 -0.536 1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.743 -0.409 2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.412 0.905 3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.336 -1.954 3.389 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.570 -1.236 4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.786 0.822 5.582 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.110 0.810 6.139 1.00 0.00 H new ATOM 1012 N ASP A 68 12.429 2.642 2.660 1.00 0.00 N ATOM 1013 CA ASP A 68 11.726 3.737 3.381 1.00 0.00 C ATOM 1014 C ASP A 68 10.402 4.045 2.686 1.00 0.00 C ATOM 1015 O ASP A 68 9.381 4.195 3.328 1.00 0.00 O ATOM 1016 CB ASP A 68 12.604 4.990 3.399 1.00 0.00 C ATOM 1017 CG ASP A 68 11.894 6.098 4.178 1.00 0.00 C ATOM 1018 OD1 ASP A 68 11.070 6.777 3.587 1.00 0.00 O ATOM 1019 OD2 ASP A 68 12.187 6.250 5.353 1.00 0.00 O ATOM 0 H ASP A 68 13.284 2.917 2.177 1.00 0.00 H new ATOM 0 HA ASP A 68 11.528 3.423 4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.566 4.766 3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.807 5.320 2.380 1.00 0.00 H new ATOM 1024 N GLN A 69 10.397 4.148 1.387 1.00 0.00 N ATOM 1025 CA GLN A 69 9.122 4.454 0.686 1.00 0.00 C ATOM 1026 C GLN A 69 8.097 3.361 1.003 1.00 0.00 C ATOM 1027 O GLN A 69 6.918 3.618 1.142 1.00 0.00 O ATOM 1028 CB GLN A 69 9.362 4.511 -0.824 1.00 0.00 C ATOM 1029 CG GLN A 69 10.151 5.775 -1.171 1.00 0.00 C ATOM 1030 CD GLN A 69 10.567 5.729 -2.642 1.00 0.00 C ATOM 1031 OE1 GLN A 69 11.740 6.181 -2.992 1.00 0.00 O flip ATOM 1032 NE2 GLN A 69 9.816 5.275 -3.484 1.00 0.00 N flip ATOM 0 H GLN A 69 11.213 4.035 0.786 1.00 0.00 H new ATOM 0 HA GLN A 69 8.744 5.419 1.023 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.911 3.627 -1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.410 4.508 -1.354 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.543 6.660 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.033 5.852 -0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.899 4.921 -3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.103 5.248 -4.462 1.00 0.00 H new ATOM 1041 N ILE A 70 8.548 2.136 1.117 1.00 0.00 N ATOM 1042 CA ILE A 70 7.624 1.007 1.426 1.00 0.00 C ATOM 1043 C ILE A 70 7.202 1.048 2.899 1.00 0.00 C ATOM 1044 O ILE A 70 6.039 0.893 3.215 1.00 0.00 O ATOM 1045 CB ILE A 70 8.338 -0.325 1.141 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.539 -0.482 -0.369 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.490 -1.492 1.664 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.439 -1.691 -0.647 1.00 0.00 C ATOM 0 H ILE A 70 9.527 1.870 1.008 1.00 0.00 H new ATOM 0 HA ILE A 70 6.735 1.097 0.801 1.00 0.00 H new ATOM 0 HB ILE A 70 9.305 -0.328 1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.576 -0.612 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.989 0.421 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.001 -2.433 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.346 -1.384 2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.521 -1.489 1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.580 -1.800 -1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.406 -1.542 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.971 -2.592 -0.249 1.00 0.00 H new ATOM 1060 N GLN A 71 8.120 1.257 3.809 1.00 0.00 N ATOM 1061 CA GLN A 71 7.752 1.310 5.253 1.00 0.00 C ATOM 1062 C GLN A 71 6.756 2.447 5.476 1.00 0.00 C ATOM 1063 O GLN A 71 5.777 2.301 6.180 1.00 0.00 O ATOM 1064 CB GLN A 71 9.019 1.567 6.081 1.00 0.00 C ATOM 1065 CG GLN A 71 8.763 1.218 7.553 1.00 0.00 C ATOM 1066 CD GLN A 71 7.768 2.213 8.152 1.00 0.00 C ATOM 1067 OE1 GLN A 71 7.825 3.468 7.797 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 6.931 1.845 8.952 1.00 0.00 N flip ATOM 0 H GLN A 71 9.111 1.393 3.611 1.00 0.00 H new ATOM 0 HA GLN A 71 7.299 0.366 5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.844 0.968 5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.315 2.612 5.993 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.372 0.204 7.634 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.699 1.244 8.111 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.887 0.864 9.229 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.273 2.517 9.347 1.00 0.00 H new ATOM 1077 N ASN A 72 6.998 3.579 4.874 1.00 0.00 N ATOM 1078 CA ASN A 72 6.066 4.726 5.041 1.00 0.00 C ATOM 1079 C ASN A 72 4.691 4.323 4.514 1.00 0.00 C ATOM 1080 O ASN A 72 3.670 4.771 4.995 1.00 0.00 O ATOM 1081 CB ASN A 72 6.590 5.922 4.241 1.00 0.00 C ATOM 1082 CG ASN A 72 7.875 6.445 4.886 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.647 5.683 5.434 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.138 7.722 4.845 1.00 0.00 N ATOM 0 H ASN A 72 7.803 3.758 4.273 1.00 0.00 H new ATOM 0 HA ASN A 72 5.993 4.999 6.094 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.783 5.627 3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.838 6.711 4.212 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.992 8.081 5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.490 8.362 4.385 1.00 0.00 H new ATOM 1091 N ALA A 73 4.665 3.480 3.520 1.00 0.00 N ATOM 1092 CA ALA A 73 3.366 3.043 2.944 1.00 0.00 C ATOM 1093 C ALA A 73 2.694 2.035 3.879 1.00 0.00 C ATOM 1094 O ALA A 73 1.500 2.082 4.100 1.00 0.00 O ATOM 1095 CB ALA A 73 3.613 2.396 1.581 1.00 0.00 C ATOM 0 H ALA A 73 5.491 3.074 3.081 1.00 0.00 H new ATOM 0 HA ALA A 73 2.712 3.907 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.663 2.074 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.084 3.119 0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.268 1.533 1.701 1.00 0.00 H new ATOM 1101 N GLN A 74 3.448 1.117 4.428 1.00 0.00 N ATOM 1102 CA GLN A 74 2.848 0.104 5.343 1.00 0.00 C ATOM 1103 C GLN A 74 2.155 0.820 6.510 1.00 0.00 C ATOM 1104 O GLN A 74 1.003 0.569 6.806 1.00 0.00 O ATOM 1105 CB GLN A 74 3.966 -0.824 5.880 1.00 0.00 C ATOM 1106 CG GLN A 74 4.035 -2.125 5.066 1.00 0.00 C ATOM 1107 CD GLN A 74 4.513 -1.823 3.646 1.00 0.00 C ATOM 1108 OE1 GLN A 74 3.930 -0.880 2.957 1.00 0.00 O flip ATOM 1109 NE2 GLN A 74 5.425 -2.457 3.156 1.00 0.00 N flip ATOM 0 H GLN A 74 4.453 1.026 4.281 1.00 0.00 H new ATOM 0 HA GLN A 74 2.113 -0.494 4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.926 -0.309 5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.780 -1.056 6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.714 -2.829 5.546 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.054 -2.598 5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.881 -3.194 3.694 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.736 -2.253 2.206 1.00 0.00 H new ATOM 1118 N TYR A 75 2.850 1.694 7.185 1.00 0.00 N ATOM 1119 CA TYR A 75 2.229 2.401 8.340 1.00 0.00 C ATOM 1120 C TYR A 75 0.949 3.110 7.891 1.00 0.00 C ATOM 1121 O TYR A 75 -0.033 3.135 8.606 1.00 0.00 O ATOM 1122 CB TYR A 75 3.215 3.415 8.923 1.00 0.00 C ATOM 1123 CG TYR A 75 2.668 3.964 10.220 1.00 0.00 C ATOM 1124 CD1 TYR A 75 1.832 5.087 10.207 1.00 0.00 C ATOM 1125 CD2 TYR A 75 2.996 3.350 11.434 1.00 0.00 C ATOM 1126 CE1 TYR A 75 1.325 5.596 11.409 1.00 0.00 C ATOM 1127 CE2 TYR A 75 2.490 3.859 12.636 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.655 4.983 12.623 1.00 0.00 C ATOM 1129 OH TYR A 75 1.156 5.484 13.808 1.00 0.00 O ATOM 0 H TYR A 75 3.818 1.948 6.987 1.00 0.00 H new ATOM 0 HA TYR A 75 1.977 1.672 9.110 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.181 2.941 9.096 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.380 4.226 8.214 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.578 5.561 9.270 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.640 2.483 11.444 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.679 6.462 11.399 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.744 3.385 13.573 1.00 0.00 H new ATOM 0 HH TYR A 75 1.482 4.941 14.556 1.00 0.00 H new ATOM 1139 N LEU A 76 0.937 3.685 6.718 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.301 4.379 6.263 1.00 0.00 C ATOM 1141 C LEU A 76 -1.378 3.336 5.948 1.00 0.00 C ATOM 1142 O LEU A 76 -2.557 3.627 5.973 1.00 0.00 O ATOM 1143 CB LEU A 76 -0.010 5.233 5.021 1.00 0.00 C ATOM 1144 CG LEU A 76 0.974 6.363 5.374 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.634 6.886 4.096 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.235 7.522 6.060 1.00 0.00 C ATOM 0 H LEU A 76 1.719 3.704 6.064 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.655 5.038 7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.409 4.609 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.938 5.656 4.635 1.00 0.00 H new ATOM 0 HG LEU A 76 1.730 5.966 6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.330 7.686 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.174 6.075 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.868 7.270 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.945 8.313 6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.529 7.914 5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.235 7.163 6.975 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.992 2.117 5.678 1.00 0.00 N ATOM 1159 CA LEU A 77 -2.013 1.067 5.397 1.00 0.00 C ATOM 1160 C LEU A 77 -2.585 0.585 6.734 1.00 0.00 C ATOM 1161 O LEU A 77 -3.780 0.446 6.898 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.363 -0.115 4.649 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.308 0.170 3.135 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.462 -0.912 2.453 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.730 0.174 2.527 1.00 0.00 C ATOM 0 H LEU A 77 -0.022 1.805 5.640 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.807 1.476 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.356 -0.285 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.931 -1.027 4.833 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.862 1.152 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.418 -0.718 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.547 -0.899 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.913 -1.889 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.668 0.377 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.196 -0.799 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.330 0.946 3.009 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.729 0.334 7.690 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.198 -0.136 9.025 1.00 0.00 C ATOM 1179 C GLN A 78 -3.085 0.935 9.672 1.00 0.00 C ATOM 1180 O GLN A 78 -4.068 0.632 10.316 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.980 -0.393 9.920 1.00 0.00 C ATOM 1182 CG GLN A 78 -1.419 -1.164 11.168 1.00 0.00 C ATOM 1183 CD GLN A 78 -1.737 -2.611 10.790 1.00 0.00 C ATOM 1184 OE1 GLN A 78 -2.858 -3.057 10.935 1.00 0.00 O ATOM 1185 NE2 GLN A 78 -0.791 -3.370 10.307 1.00 0.00 N ATOM 0 H GLN A 78 -0.718 0.436 7.601 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.774 -1.054 8.905 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.227 -0.962 9.374 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.520 0.553 10.207 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.630 -1.139 11.920 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.296 -0.692 11.610 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.150 -2.996 10.185 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.993 -4.337 10.052 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.741 2.189 9.511 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.573 3.265 10.127 1.00 0.00 C ATOM 1196 C ASN A 79 -4.818 3.500 9.270 1.00 0.00 C ATOM 1197 O ASN A 79 -5.823 3.979 9.758 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.764 4.556 10.269 1.00 0.00 C ATOM 1199 CG ASN A 79 -3.588 5.593 11.033 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -4.674 5.946 10.622 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -3.112 6.099 12.139 1.00 0.00 N ATOM 0 H ASN A 79 -1.928 2.511 8.985 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.881 2.951 11.124 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.831 4.357 10.796 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.498 4.941 9.285 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.653 6.791 12.658 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.199 5.802 12.484 1.00 0.00 H new ATOM 1208 N SER A 80 -4.782 3.178 8.006 1.00 0.00 N ATOM 1209 CA SER A 80 -6.002 3.412 7.184 1.00 0.00 C ATOM 1210 C SER A 80 -7.107 2.517 7.747 1.00 0.00 C ATOM 1211 O SER A 80 -8.264 2.878 7.788 1.00 0.00 O ATOM 1212 CB SER A 80 -5.729 3.062 5.721 1.00 0.00 C ATOM 1213 OG SER A 80 -5.346 1.696 5.628 1.00 0.00 O ATOM 0 H SER A 80 -3.983 2.774 7.517 1.00 0.00 H new ATOM 0 HA SER A 80 -6.299 4.460 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.620 3.244 5.119 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.940 3.701 5.323 1.00 0.00 H new ATOM 0 HG SER A 80 -4.902 1.423 6.458 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.743 1.341 8.165 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.741 0.383 8.720 1.00 0.00 C ATOM 1221 C VAL A 81 -8.597 1.072 9.786 1.00 0.00 C ATOM 1222 O VAL A 81 -9.788 0.853 9.871 1.00 0.00 O ATOM 1223 CB VAL A 81 -7.015 -0.810 9.354 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -8.005 -1.962 9.546 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.869 -1.265 8.445 1.00 0.00 C ATOM 0 H VAL A 81 -5.783 0.995 8.147 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.383 0.037 7.910 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.607 -0.512 10.320 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.492 -2.812 9.997 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.816 -1.640 10.199 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.413 -2.256 8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.357 -2.113 8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.269 -1.562 7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.164 -0.445 8.311 1.00 0.00 H new