USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=15 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 66 THR OG1 : rot 180:sc= -1.47 USER MOD Set 1.2: A 69 GLN :FLIP amide:sc= -0.946 F(o=-3.1,f=-2.4) 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= -0.41 X(o=-0.41,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 -22:sc= 0.199 USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= -0.219 (180deg=-0.845) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.78! C(o=-2.8!,f=-9.3!) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 123:sc= 0.139 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 67 GLN :FLIP amide:sc= -2.62! C(o=-5.2!,f=-2.6!) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 72 ASN : amide:sc= -1.55 K(o=-1.6,f=-4.9!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0103 K(o=-0.01,f=-1.6!) USER MOD Single : A 79 ASN : amide:sc= -0.0369 X(o=-0.037,f=-0.46) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 13 15.786 -2.290 -5.678 1.00 0.00 N ATOM 148 CA ILE A 13 14.319 -2.123 -5.457 1.00 0.00 C ATOM 149 C ILE A 13 13.774 -3.356 -4.728 1.00 0.00 C ATOM 150 O ILE A 13 14.252 -4.456 -4.922 1.00 0.00 O ATOM 151 CB ILE A 13 13.631 -1.984 -6.824 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.330 -0.894 -7.648 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.153 -1.623 -6.650 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.393 0.419 -6.857 1.00 0.00 C ATOM 0 HA ILE A 13 14.126 -1.236 -4.853 1.00 0.00 H new ATOM 0 HB ILE A 13 13.700 -2.939 -7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.338 -1.217 -7.909 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.793 -0.737 -8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.684 -1.529 -7.629 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.652 -2.406 -6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.070 -0.677 -6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 13 14.892 1.181 -7.456 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.382 0.749 -6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.950 0.261 -5.934 1.00 0.00 H new ATOM 166 N ILE A 14 12.792 -3.180 -3.873 1.00 0.00 N ATOM 167 CA ILE A 14 12.222 -4.331 -3.103 1.00 0.00 C ATOM 168 C ILE A 14 10.719 -4.427 -3.363 1.00 0.00 C ATOM 169 O ILE A 14 10.053 -3.428 -3.555 1.00 0.00 O ATOM 170 CB ILE A 14 12.452 -4.076 -1.608 1.00 0.00 C ATOM 171 CG1 ILE A 14 13.940 -3.796 -1.363 1.00 0.00 C ATOM 172 CG2 ILE A 14 12.023 -5.305 -0.801 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.161 -3.387 0.096 1.00 0.00 C ATOM 0 H ILE A 14 12.358 -2.278 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 14 12.704 -5.259 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 14 11.861 -3.216 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.529 -4.684 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.284 -3.004 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.188 -5.119 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.965 -5.503 -0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.610 -6.169 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.220 -3.190 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.586 -2.487 0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.834 -4.193 0.753 1.00 0.00 H new ATOM 185 N THR A 15 10.171 -5.618 -3.348 1.00 0.00 N ATOM 186 CA THR A 15 8.704 -5.799 -3.567 1.00 0.00 C ATOM 187 C THR A 15 8.150 -6.634 -2.412 1.00 0.00 C ATOM 188 O THR A 15 8.744 -7.610 -1.995 1.00 0.00 O ATOM 189 CB THR A 15 8.466 -6.535 -4.890 1.00 0.00 C ATOM 190 OG1 THR A 15 9.347 -6.025 -5.880 1.00 0.00 O ATOM 191 CG2 THR A 15 7.018 -6.334 -5.337 1.00 0.00 C ATOM 0 H THR A 15 10.687 -6.484 -3.191 1.00 0.00 H new ATOM 0 HA THR A 15 8.207 -4.830 -3.608 1.00 0.00 H new ATOM 0 HB THR A 15 8.654 -7.600 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.197 -6.496 -6.726 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.852 -6.858 -6.278 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.344 -6.730 -4.577 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.824 -5.270 -5.475 1.00 0.00 H new ATOM 199 N THR A 16 7.014 -6.258 -1.899 1.00 0.00 N ATOM 200 CA THR A 16 6.393 -7.015 -0.769 1.00 0.00 C ATOM 201 C THR A 16 4.887 -7.112 -1.017 1.00 0.00 C ATOM 202 O THR A 16 4.295 -6.194 -1.548 1.00 0.00 O ATOM 203 CB THR A 16 6.658 -6.276 0.549 1.00 0.00 C ATOM 204 OG1 THR A 16 5.999 -6.954 1.610 1.00 0.00 O ATOM 205 CG2 THR A 16 6.135 -4.840 0.456 1.00 0.00 C ATOM 0 H THR A 16 6.480 -5.449 -2.216 1.00 0.00 H new ATOM 0 HA THR A 16 6.822 -8.015 -0.705 1.00 0.00 H new ATOM 0 HB THR A 16 7.731 -6.253 0.739 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.168 -6.485 2.453 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.327 -4.321 1.395 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.643 -4.320 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.062 -4.855 0.262 1.00 0.00 H new ATOM 213 N GLN A 17 4.257 -8.210 -0.652 1.00 0.00 N ATOM 214 CA GLN A 17 2.776 -8.341 -0.893 1.00 0.00 C ATOM 215 C GLN A 17 2.018 -8.299 0.435 1.00 0.00 C ATOM 216 O GLN A 17 2.493 -8.767 1.450 1.00 0.00 O ATOM 217 CB GLN A 17 2.482 -9.659 -1.613 1.00 0.00 C ATOM 218 CG GLN A 17 3.070 -9.614 -3.025 1.00 0.00 C ATOM 219 CD GLN A 17 2.980 -11.004 -3.658 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.853 -11.403 -4.402 1.00 0.00 O ATOM 221 NE2 GLN A 17 1.952 -11.764 -3.391 1.00 0.00 N ATOM 0 H GLN A 17 4.697 -9.013 -0.203 1.00 0.00 H new ATOM 0 HA GLN A 17 2.446 -7.509 -1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.910 -10.493 -1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.406 -9.827 -1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.528 -8.890 -3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.109 -9.286 -2.988 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.219 -11.429 -2.766 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.882 -12.693 -3.807 1.00 0.00 H new ATOM 230 N VAL A 18 0.836 -7.727 0.424 1.00 0.00 N ATOM 231 CA VAL A 18 0.008 -7.622 1.666 1.00 0.00 C ATOM 232 C VAL A 18 -1.368 -8.243 1.400 1.00 0.00 C ATOM 233 O VAL A 18 -1.885 -8.184 0.303 1.00 0.00 O ATOM 234 CB VAL A 18 -0.180 -6.134 2.008 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.597 -5.977 3.474 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.133 -5.386 1.774 1.00 0.00 C ATOM 0 H VAL A 18 0.405 -7.323 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 18 0.500 -8.140 2.489 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.960 -5.721 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.727 -4.920 3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.536 -6.503 3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.175 -6.396 4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.999 -4.332 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.911 -5.809 2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.426 -5.484 0.729 1.00 0.00 H new ATOM 246 N THR A 19 -1.965 -8.819 2.410 1.00 0.00 N ATOM 247 CA THR A 19 -3.322 -9.437 2.263 1.00 0.00 C ATOM 248 C THR A 19 -4.254 -8.744 3.260 1.00 0.00 C ATOM 249 O THR A 19 -3.932 -8.605 4.423 1.00 0.00 O ATOM 250 CB THR A 19 -3.237 -10.939 2.569 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.055 -11.469 1.986 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.458 -11.657 1.989 1.00 0.00 C ATOM 0 H THR A 19 -1.566 -8.890 3.346 1.00 0.00 H new ATOM 0 HA THR A 19 -3.699 -9.316 1.247 1.00 0.00 H new ATOM 0 HB THR A 19 -3.214 -11.088 3.649 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.996 -12.428 2.180 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.392 -12.722 2.209 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.365 -11.250 2.435 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.487 -11.511 0.909 1.00 0.00 H new ATOM 260 N ILE A 20 -5.399 -8.290 2.805 1.00 0.00 N ATOM 261 CA ILE A 20 -6.362 -7.575 3.711 1.00 0.00 C ATOM 262 C ILE A 20 -7.751 -8.249 3.610 1.00 0.00 C ATOM 263 O ILE A 20 -8.185 -8.570 2.521 1.00 0.00 O ATOM 264 CB ILE A 20 -6.483 -6.092 3.245 1.00 0.00 C ATOM 265 CG1 ILE A 20 -5.997 -5.946 1.791 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.633 -5.178 4.142 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.166 -4.499 1.309 1.00 0.00 C ATOM 0 H ILE A 20 -5.711 -8.384 1.839 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.006 -7.617 4.740 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.531 -5.802 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.949 -6.239 1.721 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.560 -6.619 1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.728 -4.146 3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.979 -5.256 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.588 -5.483 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.817 -4.415 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.218 -4.219 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.583 -3.833 1.945 1.00 0.00 H new ATOM 279 N PRO A 21 -8.473 -8.439 4.697 1.00 0.00 N ATOM 280 CA PRO A 21 -9.829 -9.049 4.590 1.00 0.00 C ATOM 281 C PRO A 21 -10.723 -8.242 3.629 1.00 0.00 C ATOM 282 O PRO A 21 -10.585 -7.042 3.505 1.00 0.00 O ATOM 283 CB PRO A 21 -10.348 -9.001 6.043 1.00 0.00 C ATOM 284 CG PRO A 21 -9.237 -8.419 6.943 1.00 0.00 C ATOM 285 CD PRO A 21 -8.014 -8.081 6.069 1.00 0.00 C ATOM 0 HA PRO A 21 -9.822 -10.060 4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.246 -8.386 6.104 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.623 -10.000 6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.595 -7.525 7.453 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.962 -9.138 7.715 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.744 -7.027 6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.136 -8.656 6.364 1.00 0.00 H new ATOM 293 N LYS A 22 -11.610 -8.892 2.928 1.00 0.00 N ATOM 294 CA LYS A 22 -12.473 -8.171 1.955 1.00 0.00 C ATOM 295 C LYS A 22 -13.208 -6.997 2.624 1.00 0.00 C ATOM 296 O LYS A 22 -13.336 -5.935 2.047 1.00 0.00 O ATOM 297 CB LYS A 22 -13.487 -9.158 1.370 1.00 0.00 C ATOM 298 CG LYS A 22 -14.455 -8.415 0.449 1.00 0.00 C ATOM 299 CD LYS A 22 -15.295 -9.420 -0.361 1.00 0.00 C ATOM 300 CE LYS A 22 -14.545 -9.844 -1.631 1.00 0.00 C ATOM 301 NZ LYS A 22 -15.421 -10.730 -2.450 1.00 0.00 N ATOM 0 H LYS A 22 -11.774 -9.897 2.989 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.846 -7.761 1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.969 -9.940 0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.037 -9.648 2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.110 -7.774 1.039 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.899 -7.766 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.513 -10.296 0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.252 -8.971 -0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.257 -8.965 -2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.626 -10.367 -1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.915 -11.019 -3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.674 -11.574 -1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.286 -10.216 -2.713 1.00 0.00 H new ATOM 315 N ASP A 23 -13.716 -7.176 3.813 1.00 0.00 N ATOM 316 CA ASP A 23 -14.466 -6.063 4.473 1.00 0.00 C ATOM 317 C ASP A 23 -13.559 -4.847 4.709 1.00 0.00 C ATOM 318 O ASP A 23 -13.934 -3.712 4.455 1.00 0.00 O ATOM 319 CB ASP A 23 -15.040 -6.547 5.805 1.00 0.00 C ATOM 320 CG ASP A 23 -13.965 -7.315 6.575 1.00 0.00 C ATOM 321 OD1 ASP A 23 -13.619 -8.403 6.146 1.00 0.00 O ATOM 322 OD2 ASP A 23 -13.507 -6.802 7.583 1.00 0.00 O ATOM 0 H ASP A 23 -13.646 -8.037 4.355 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.278 -5.759 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.387 -5.698 6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.904 -7.188 5.629 1.00 0.00 H new ATOM 327 N LEU A 24 -12.354 -5.064 5.152 1.00 0.00 N ATOM 328 CA LEU A 24 -11.416 -3.933 5.371 1.00 0.00 C ATOM 329 C LEU A 24 -10.834 -3.532 4.022 1.00 0.00 C ATOM 330 O LEU A 24 -10.441 -2.404 3.808 1.00 0.00 O ATOM 331 CB LEU A 24 -10.275 -4.375 6.297 1.00 0.00 C ATOM 332 CG LEU A 24 -10.831 -4.975 7.602 1.00 0.00 C ATOM 333 CD1 LEU A 24 -9.682 -5.189 8.605 1.00 0.00 C ATOM 334 CD2 LEU A 24 -11.880 -4.029 8.213 1.00 0.00 C ATOM 0 H LEU A 24 -11.976 -5.985 5.373 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.943 -3.096 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.653 -5.112 5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.636 -3.522 6.527 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.302 -5.933 7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.078 -5.614 9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.948 -5.872 8.177 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.205 -4.233 8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.267 -4.462 9.135 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.419 -3.066 8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.698 -3.888 7.507 1.00 0.00 H new ATOM 346 N ALA A 25 -10.778 -4.459 3.107 1.00 0.00 N ATOM 347 CA ALA A 25 -10.224 -4.150 1.769 1.00 0.00 C ATOM 348 C ALA A 25 -11.026 -3.013 1.147 1.00 0.00 C ATOM 349 O ALA A 25 -10.496 -2.136 0.498 1.00 0.00 O ATOM 350 CB ALA A 25 -10.352 -5.380 0.878 1.00 0.00 C ATOM 0 H ALA A 25 -11.095 -5.420 3.233 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.177 -3.863 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.946 -5.158 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.799 -6.209 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.403 -5.654 0.784 1.00 0.00 H new ATOM 356 N ARG A 26 -12.317 -3.036 1.346 1.00 0.00 N ATOM 357 CA ARG A 26 -13.176 -1.970 0.769 1.00 0.00 C ATOM 358 C ARG A 26 -12.987 -0.696 1.582 1.00 0.00 C ATOM 359 O ARG A 26 -13.093 0.398 1.064 1.00 0.00 O ATOM 360 CB ARG A 26 -14.643 -2.402 0.791 1.00 0.00 C ATOM 361 CG ARG A 26 -14.841 -3.582 -0.164 1.00 0.00 C ATOM 362 CD ARG A 26 -16.274 -4.102 -0.044 1.00 0.00 C ATOM 363 NE ARG A 26 -17.230 -2.990 -0.302 1.00 0.00 N ATOM 364 CZ ARG A 26 -18.485 -3.251 -0.548 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.901 -4.488 -0.571 1.00 0.00 N ATOM 366 NH2 ARG A 26 -19.322 -2.276 -0.774 1.00 0.00 N ATOM 0 H ARG A 26 -12.811 -3.748 1.884 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.892 -1.789 -0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.935 -2.686 1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.283 -1.570 0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.641 -3.271 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.134 -4.377 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.439 -4.910 -0.756 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.440 -4.515 0.951 1.00 0.00 H new ATOM 0 HE ARG A 26 -16.904 -2.024 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.246 -5.250 -0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.882 -4.693 -0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -18.996 -1.310 -0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -20.303 -2.480 -0.966 1.00 0.00 H new ATOM 380 N SER A 27 -12.700 -0.817 2.851 1.00 0.00 N ATOM 381 CA SER A 27 -12.497 0.401 3.681 1.00 0.00 C ATOM 382 C SER A 27 -11.181 1.076 3.279 1.00 0.00 C ATOM 383 O SER A 27 -11.018 2.270 3.436 1.00 0.00 O ATOM 384 CB SER A 27 -12.426 -0.001 5.154 1.00 0.00 C ATOM 385 OG SER A 27 -11.316 -0.863 5.356 1.00 0.00 O ATOM 0 H SER A 27 -12.598 -1.704 3.345 1.00 0.00 H new ATOM 0 HA SER A 27 -13.326 1.092 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.330 0.886 5.780 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.348 -0.502 5.450 1.00 0.00 H new ATOM 0 HG SER A 27 -11.068 -1.282 4.505 1.00 0.00 H new ATOM 391 N ILE A 28 -10.218 0.318 2.812 1.00 0.00 N ATOM 392 CA ILE A 28 -8.895 0.916 2.462 1.00 0.00 C ATOM 393 C ILE A 28 -8.893 1.449 1.025 1.00 0.00 C ATOM 394 O ILE A 28 -8.398 2.524 0.754 1.00 0.00 O ATOM 395 CB ILE A 28 -7.828 -0.170 2.611 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.667 -0.520 4.092 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.494 0.329 2.057 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.914 -1.844 4.225 1.00 0.00 C ATOM 0 H ILE A 28 -10.293 -0.688 2.659 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.689 1.754 3.128 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.136 -1.055 2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.124 0.273 4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.645 -0.597 4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.740 -0.450 2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.608 0.577 1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.181 1.217 2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.799 -2.093 5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.475 -2.633 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.930 -1.751 3.765 1.00 0.00 H new ATOM 410 N ILE A 29 -9.423 0.698 0.104 1.00 0.00 N ATOM 411 CA ILE A 29 -9.419 1.174 -1.308 1.00 0.00 C ATOM 412 C ILE A 29 -10.285 2.429 -1.428 1.00 0.00 C ATOM 413 O ILE A 29 -9.997 3.312 -2.202 1.00 0.00 O ATOM 414 CB ILE A 29 -9.955 0.073 -2.232 1.00 0.00 C ATOM 415 CG1 ILE A 29 -9.103 -1.197 -2.076 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.886 0.548 -3.687 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.856 -2.393 -2.660 1.00 0.00 C ATOM 0 H ILE A 29 -9.854 -0.213 0.262 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.398 1.415 -1.605 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.989 -0.147 -1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.148 -1.071 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.882 -1.372 -1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.267 -0.234 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.491 1.447 -3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.851 0.770 -3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.251 -3.293 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.800 -2.522 -2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.054 -2.217 -3.717 1.00 0.00 H new ATOM 429 N GLY A 30 -11.350 2.524 -0.683 1.00 0.00 N ATOM 430 CA GLY A 30 -12.220 3.732 -0.793 1.00 0.00 C ATOM 431 C GLY A 30 -13.246 3.491 -1.897 1.00 0.00 C ATOM 432 O GLY A 30 -13.295 2.429 -2.486 1.00 0.00 O ATOM 0 H GLY A 30 -11.656 1.824 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.722 3.925 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.619 4.612 -1.020 1.00 0.00 H new ATOM 436 N LYS A 31 -14.064 4.466 -2.196 1.00 0.00 N ATOM 437 CA LYS A 31 -15.081 4.286 -3.277 1.00 0.00 C ATOM 438 C LYS A 31 -14.500 4.773 -4.609 1.00 0.00 C ATOM 439 O LYS A 31 -15.155 4.733 -5.632 1.00 0.00 O ATOM 440 CB LYS A 31 -16.328 5.097 -2.940 1.00 0.00 C ATOM 441 CG LYS A 31 -17.037 4.469 -1.735 1.00 0.00 C ATOM 442 CD LYS A 31 -18.328 5.241 -1.425 1.00 0.00 C ATOM 443 CE LYS A 31 -19.096 4.534 -0.302 1.00 0.00 C ATOM 444 NZ LYS A 31 -18.133 3.962 0.681 1.00 0.00 N ATOM 0 H LYS A 31 -14.073 5.378 -1.740 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.344 3.231 -3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.055 6.128 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.000 5.123 -3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.269 3.424 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.378 4.483 -0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.090 6.263 -1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.949 5.305 -2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -19.763 5.238 0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.720 3.743 -0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.634 3.727 1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.704 3.101 0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.387 4.659 0.882 1.00 0.00 H new ATOM 458 N GLY A 32 -13.280 5.236 -4.604 1.00 0.00 N ATOM 459 CA GLY A 32 -12.658 5.731 -5.870 1.00 0.00 C ATOM 460 C GLY A 32 -11.139 5.574 -5.787 1.00 0.00 C ATOM 461 O GLY A 32 -10.409 6.162 -6.559 1.00 0.00 O ATOM 0 H GLY A 32 -12.684 5.294 -3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.046 5.172 -6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.918 6.777 -6.031 1.00 0.00 H new ATOM 465 N GLY A 33 -10.646 4.806 -4.856 1.00 0.00 N ATOM 466 CA GLY A 33 -9.167 4.652 -4.742 1.00 0.00 C ATOM 467 C GLY A 33 -8.595 5.891 -4.049 1.00 0.00 C ATOM 468 O GLY A 33 -7.420 5.952 -3.746 1.00 0.00 O ATOM 0 H GLY A 33 -11.196 4.283 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.924 3.755 -4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.722 4.533 -5.730 1.00 0.00 H new ATOM 472 N GLN A 34 -9.420 6.892 -3.839 1.00 0.00 N ATOM 473 CA GLN A 34 -8.957 8.173 -3.203 1.00 0.00 C ATOM 474 C GLN A 34 -7.870 7.904 -2.148 1.00 0.00 C ATOM 475 O GLN A 34 -7.029 8.744 -1.900 1.00 0.00 O ATOM 476 CB GLN A 34 -10.160 8.837 -2.508 1.00 0.00 C ATOM 477 CG GLN A 34 -11.060 9.525 -3.543 1.00 0.00 C ATOM 478 CD GLN A 34 -12.266 10.146 -2.835 1.00 0.00 C ATOM 479 OE1 GLN A 34 -13.335 9.568 -2.812 1.00 0.00 O ATOM 480 NE2 GLN A 34 -12.139 11.306 -2.251 1.00 0.00 N ATOM 0 H GLN A 34 -10.410 6.876 -4.085 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.542 8.819 -3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.731 8.088 -1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.810 9.567 -1.778 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.500 10.295 -4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.394 8.803 -4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.242 11.791 -2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.937 11.728 -1.775 1.00 0.00 H new ATOM 489 N ARG A 35 -7.877 6.761 -1.510 1.00 0.00 N ATOM 490 CA ARG A 35 -6.834 6.498 -0.464 1.00 0.00 C ATOM 491 C ARG A 35 -5.584 5.909 -1.126 1.00 0.00 C ATOM 492 O ARG A 35 -4.473 6.290 -0.815 1.00 0.00 O ATOM 493 CB ARG A 35 -7.367 5.492 0.582 1.00 0.00 C ATOM 494 CG ARG A 35 -8.258 6.210 1.610 1.00 0.00 C ATOM 495 CD ARG A 35 -7.431 7.193 2.471 1.00 0.00 C ATOM 496 NE ARG A 35 -7.727 8.589 2.041 1.00 0.00 N ATOM 497 CZ ARG A 35 -7.389 9.592 2.805 1.00 0.00 C ATOM 498 NH1 ARG A 35 -6.789 9.373 3.942 1.00 0.00 N ATOM 499 NH2 ARG A 35 -7.651 10.814 2.429 1.00 0.00 N ATOM 0 H ARG A 35 -8.547 6.007 -1.662 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.589 7.438 0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.936 4.707 0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.532 5.008 1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.051 6.752 1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.741 5.475 2.254 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.675 7.065 3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.367 6.984 2.362 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.193 8.761 1.150 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.584 8.418 4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.525 10.157 4.539 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.119 10.984 1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.387 11.599 3.025 1.00 0.00 H new ATOM 513 N ILE A 36 -5.750 4.985 -2.032 1.00 0.00 N ATOM 514 CA ILE A 36 -4.563 4.385 -2.696 1.00 0.00 C ATOM 515 C ILE A 36 -3.878 5.457 -3.557 1.00 0.00 C ATOM 516 O ILE A 36 -2.691 5.399 -3.807 1.00 0.00 O ATOM 517 CB ILE A 36 -5.009 3.157 -3.526 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.969 1.889 -2.644 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.108 2.963 -4.757 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.537 1.332 -2.531 1.00 0.00 C ATOM 0 H ILE A 36 -6.653 4.622 -2.339 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.838 4.036 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.028 3.331 -3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.350 2.122 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.625 1.128 -3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.445 2.093 -5.321 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.161 3.849 -5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.078 2.809 -4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.542 0.440 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.167 1.076 -3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.888 2.085 -2.085 1.00 0.00 H new ATOM 532 N LYS A 37 -4.618 6.434 -4.008 1.00 0.00 N ATOM 533 CA LYS A 37 -4.009 7.505 -4.846 1.00 0.00 C ATOM 534 C LYS A 37 -3.247 8.483 -3.948 1.00 0.00 C ATOM 535 O LYS A 37 -2.085 8.760 -4.169 1.00 0.00 O ATOM 536 CB LYS A 37 -5.112 8.253 -5.599 1.00 0.00 C ATOM 537 CG LYS A 37 -5.882 7.274 -6.486 1.00 0.00 C ATOM 538 CD LYS A 37 -6.991 8.020 -7.229 1.00 0.00 C ATOM 539 CE LYS A 37 -7.719 7.054 -8.166 1.00 0.00 C ATOM 540 NZ LYS A 37 -8.763 7.795 -8.929 1.00 0.00 N ATOM 0 H LYS A 37 -5.618 6.536 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.320 7.059 -5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.791 8.729 -4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.677 9.046 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.205 6.804 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.310 6.476 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.694 8.451 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.568 8.847 -7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.010 6.593 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.176 6.248 -7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.258 7.139 -9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.445 8.215 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.315 8.549 -9.488 1.00 0.00 H new ATOM 554 N GLN A 38 -3.889 9.017 -2.944 1.00 0.00 N ATOM 555 CA GLN A 38 -3.188 9.980 -2.049 1.00 0.00 C ATOM 556 C GLN A 38 -1.971 9.303 -1.413 1.00 0.00 C ATOM 557 O GLN A 38 -0.868 9.806 -1.474 1.00 0.00 O ATOM 558 CB GLN A 38 -4.148 10.448 -0.951 1.00 0.00 C ATOM 559 CG GLN A 38 -5.180 11.405 -1.550 1.00 0.00 C ATOM 560 CD GLN A 38 -6.146 11.864 -0.456 1.00 0.00 C ATOM 561 OE1 GLN A 38 -6.098 11.379 0.656 1.00 0.00 O ATOM 562 NE2 GLN A 38 -7.028 12.788 -0.727 1.00 0.00 N ATOM 0 H GLN A 38 -4.863 8.829 -2.706 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.856 10.839 -2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.649 9.591 -0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.593 10.946 -0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.679 12.266 -1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.729 10.910 -2.351 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.069 13.196 -1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.676 13.102 -0.005 1.00 0.00 H new ATOM 571 N ILE A 39 -2.163 8.165 -0.803 1.00 0.00 N ATOM 572 CA ILE A 39 -1.017 7.459 -0.165 1.00 0.00 C ATOM 573 C ILE A 39 0.116 7.291 -1.185 1.00 0.00 C ATOM 574 O ILE A 39 1.281 7.333 -0.844 1.00 0.00 O ATOM 575 CB ILE A 39 -1.482 6.082 0.321 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.548 6.262 1.409 1.00 0.00 C ATOM 577 CG2 ILE A 39 -0.293 5.312 0.896 1.00 0.00 C ATOM 578 CD1 ILE A 39 -3.262 4.931 1.662 1.00 0.00 C ATOM 0 H ILE A 39 -3.064 7.694 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.653 8.041 0.681 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.903 5.524 -0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.085 6.617 2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.269 7.019 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.626 4.333 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.466 5.186 0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.130 5.867 1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.018 5.065 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.740 4.594 0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.537 4.185 1.988 1.00 0.00 H new ATOM 590 N ARG A 40 -0.221 7.094 -2.430 1.00 0.00 N ATOM 591 CA ARG A 40 0.833 6.912 -3.476 1.00 0.00 C ATOM 592 C ARG A 40 1.747 8.142 -3.540 1.00 0.00 C ATOM 593 O ARG A 40 2.956 8.024 -3.576 1.00 0.00 O ATOM 594 CB ARG A 40 0.167 6.719 -4.843 1.00 0.00 C ATOM 595 CG ARG A 40 1.204 6.218 -5.853 1.00 0.00 C ATOM 596 CD ARG A 40 0.512 5.870 -7.176 1.00 0.00 C ATOM 597 NE ARG A 40 1.463 5.128 -8.051 1.00 0.00 N ATOM 598 CZ ARG A 40 1.020 4.478 -9.093 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.256 4.478 -9.367 1.00 0.00 N ATOM 600 NH2 ARG A 40 1.853 3.830 -9.860 1.00 0.00 N ATOM 0 H ARG A 40 -1.181 7.051 -2.771 1.00 0.00 H new ATOM 0 HA ARG A 40 1.429 6.036 -3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.652 6.004 -4.762 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.264 7.660 -5.185 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.963 6.983 -6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.716 5.341 -5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.374 5.264 -6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.176 6.780 -7.674 1.00 0.00 H new ATOM 0 HE ARG A 40 2.460 5.128 -7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.906 4.986 -8.767 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.603 3.970 -10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.850 3.831 -9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.507 3.322 -10.674 1.00 0.00 H new ATOM 614 N HIS A 41 1.183 9.319 -3.579 1.00 0.00 N ATOM 615 CA HIS A 41 2.026 10.549 -3.670 1.00 0.00 C ATOM 616 C HIS A 41 2.685 10.856 -2.322 1.00 0.00 C ATOM 617 O HIS A 41 3.832 11.253 -2.262 1.00 0.00 O ATOM 618 CB HIS A 41 1.148 11.731 -4.088 1.00 0.00 C ATOM 619 CG HIS A 41 2.008 12.951 -4.279 1.00 0.00 C ATOM 620 ND1 HIS A 41 2.719 13.178 -5.447 1.00 0.00 N ATOM 621 CD2 HIS A 41 2.279 14.020 -3.461 1.00 0.00 C ATOM 622 CE1 HIS A 41 3.377 14.342 -5.301 1.00 0.00 C ATOM 623 NE2 HIS A 41 3.144 14.897 -4.109 1.00 0.00 N ATOM 0 H HIS A 41 0.177 9.483 -3.552 1.00 0.00 H new ATOM 0 HA HIS A 41 2.809 10.384 -4.410 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.620 11.497 -5.012 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.391 11.922 -3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.882 14.159 -2.466 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.016 14.775 -6.056 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.519 15.775 -3.750 1.00 0.00 H new ATOM 631 N GLU A 42 1.974 10.693 -1.242 1.00 0.00 N ATOM 632 CA GLU A 42 2.567 10.995 0.094 1.00 0.00 C ATOM 633 C GLU A 42 3.782 10.101 0.351 1.00 0.00 C ATOM 634 O GLU A 42 4.792 10.547 0.858 1.00 0.00 O ATOM 635 CB GLU A 42 1.524 10.761 1.188 1.00 0.00 C ATOM 636 CG GLU A 42 0.292 11.621 0.913 1.00 0.00 C ATOM 637 CD GLU A 42 0.614 13.086 1.215 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.704 13.424 2.383 1.00 0.00 O ATOM 639 OE2 GLU A 42 0.765 13.845 0.271 1.00 0.00 O ATOM 0 H GLU A 42 1.009 10.364 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 42 2.884 12.038 0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.245 9.708 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.943 11.009 2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.016 11.512 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.543 11.287 1.529 1.00 0.00 H new ATOM 646 N SER A 43 3.691 8.839 0.032 1.00 0.00 N ATOM 647 CA SER A 43 4.838 7.919 0.290 1.00 0.00 C ATOM 648 C SER A 43 5.808 7.919 -0.897 1.00 0.00 C ATOM 649 O SER A 43 6.964 7.575 -0.760 1.00 0.00 O ATOM 650 CB SER A 43 4.306 6.505 0.517 1.00 0.00 C ATOM 651 OG SER A 43 5.363 5.571 0.343 1.00 0.00 O ATOM 0 H SER A 43 2.873 8.404 -0.396 1.00 0.00 H new ATOM 0 HA SER A 43 5.374 8.262 1.175 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.890 6.418 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.498 6.292 -0.183 1.00 0.00 H new ATOM 0 HG SER A 43 5.467 5.039 1.159 1.00 0.00 H new ATOM 657 N GLY A 44 5.348 8.280 -2.063 1.00 0.00 N ATOM 658 CA GLY A 44 6.255 8.271 -3.249 1.00 0.00 C ATOM 659 C GLY A 44 6.410 6.827 -3.722 1.00 0.00 C ATOM 660 O GLY A 44 7.112 6.538 -4.670 1.00 0.00 O ATOM 0 H GLY A 44 4.390 8.579 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.844 8.890 -4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.226 8.692 -2.988 1.00 0.00 H new ATOM 664 N ALA A 45 5.753 5.922 -3.054 1.00 0.00 N ATOM 665 CA ALA A 45 5.837 4.483 -3.425 1.00 0.00 C ATOM 666 C ALA A 45 4.855 4.171 -4.554 1.00 0.00 C ATOM 667 O ALA A 45 3.889 4.875 -4.770 1.00 0.00 O ATOM 668 CB ALA A 45 5.474 3.634 -2.205 1.00 0.00 C ATOM 0 H ALA A 45 5.152 6.122 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 45 6.850 4.258 -3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.533 2.577 -2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.170 3.846 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.460 3.873 -1.884 1.00 0.00 H new ATOM 674 N SER A 46 5.082 3.080 -5.237 1.00 0.00 N ATOM 675 CA SER A 46 4.158 2.644 -6.326 1.00 0.00 C ATOM 676 C SER A 46 3.410 1.423 -5.798 1.00 0.00 C ATOM 677 O SER A 46 3.976 0.626 -5.076 1.00 0.00 O ATOM 678 CB SER A 46 4.966 2.259 -7.568 1.00 0.00 C ATOM 679 OG SER A 46 4.100 1.660 -8.524 1.00 0.00 O ATOM 0 H SER A 46 5.880 2.464 -5.084 1.00 0.00 H new ATOM 0 HA SER A 46 3.469 3.442 -6.603 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.442 3.142 -7.994 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.763 1.566 -7.297 1.00 0.00 H new ATOM 0 HG SER A 46 4.614 1.414 -9.321 1.00 0.00 H new ATOM 685 N ILE A 47 2.147 1.263 -6.110 1.00 0.00 N ATOM 686 CA ILE A 47 1.381 0.090 -5.578 1.00 0.00 C ATOM 687 C ILE A 47 0.484 -0.497 -6.669 1.00 0.00 C ATOM 688 O ILE A 47 -0.167 0.220 -7.402 1.00 0.00 O ATOM 689 CB ILE A 47 0.504 0.551 -4.400 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.397 0.975 -3.226 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.414 -0.594 -3.947 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.545 1.643 -2.145 1.00 0.00 C ATOM 0 H ILE A 47 1.613 1.892 -6.709 1.00 0.00 H new ATOM 0 HA ILE A 47 2.086 -0.673 -5.247 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.104 1.395 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.909 0.106 -2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.167 1.664 -3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.030 -0.258 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.056 -0.895 -4.775 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.192 -1.443 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.182 1.943 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.054 2.523 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.209 0.940 -1.790 1.00 0.00 H new ATOM 704 N LYS A 48 0.442 -1.800 -6.775 1.00 0.00 N ATOM 705 CA LYS A 48 -0.407 -2.476 -7.803 1.00 0.00 C ATOM 706 C LYS A 48 -1.370 -3.410 -7.072 1.00 0.00 C ATOM 707 O LYS A 48 -0.960 -4.203 -6.249 1.00 0.00 O ATOM 708 CB LYS A 48 0.497 -3.295 -8.732 1.00 0.00 C ATOM 709 CG LYS A 48 -0.323 -3.867 -9.891 1.00 0.00 C ATOM 710 CD LYS A 48 0.505 -4.918 -10.637 1.00 0.00 C ATOM 711 CE LYS A 48 1.850 -4.320 -11.060 1.00 0.00 C ATOM 712 NZ LYS A 48 2.441 -5.151 -12.147 1.00 0.00 N ATOM 0 H LYS A 48 0.971 -2.437 -6.180 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.962 -1.746 -8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.299 -2.667 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.967 -4.105 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.242 -4.315 -9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.614 -3.068 -10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.668 -5.786 -9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.040 -5.267 -11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.713 -3.295 -11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.528 -4.281 -10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.355 -4.746 -12.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.586 -6.122 -11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.796 -5.166 -12.963 1.00 0.00 H new ATOM 726 N ILE A 49 -2.647 -3.323 -7.344 1.00 0.00 N ATOM 727 CA ILE A 49 -3.637 -4.199 -6.648 1.00 0.00 C ATOM 728 C ILE A 49 -3.997 -5.373 -7.560 1.00 0.00 C ATOM 729 O ILE A 49 -4.237 -5.204 -8.739 1.00 0.00 O ATOM 730 CB ILE A 49 -4.889 -3.368 -6.343 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.492 -2.157 -5.491 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.906 -4.216 -5.575 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.654 -1.164 -5.428 1.00 0.00 C ATOM 0 H ILE A 49 -3.049 -2.678 -8.024 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.218 -4.587 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.337 -3.034 -7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.223 -2.481 -4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.612 -1.674 -5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.792 -3.618 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.187 -5.080 -6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.464 -4.555 -4.638 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.366 -0.305 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.902 -0.830 -6.435 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.523 -1.648 -4.982 1.00 0.00 H new ATOM 745 N ASP A 50 -4.048 -6.565 -7.024 1.00 0.00 N ATOM 746 CA ASP A 50 -4.405 -7.755 -7.855 1.00 0.00 C ATOM 747 C ASP A 50 -5.899 -8.028 -7.694 1.00 0.00 C ATOM 748 O ASP A 50 -6.475 -7.756 -6.659 1.00 0.00 O ATOM 749 CB ASP A 50 -3.613 -8.969 -7.366 1.00 0.00 C ATOM 750 CG ASP A 50 -2.119 -8.729 -7.591 1.00 0.00 C ATOM 751 OD1 ASP A 50 -1.780 -8.135 -8.600 1.00 0.00 O ATOM 752 OD2 ASP A 50 -1.339 -9.143 -6.749 1.00 0.00 O ATOM 0 H ASP A 50 -3.857 -6.767 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.168 -7.567 -8.902 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.809 -9.142 -6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.933 -9.864 -7.900 1.00 0.00 H new ATOM 757 N GLU A 51 -6.538 -8.575 -8.691 1.00 0.00 N ATOM 758 CA GLU A 51 -7.991 -8.872 -8.563 1.00 0.00 C ATOM 759 C GLU A 51 -8.176 -9.971 -7.503 1.00 0.00 C ATOM 760 O GLU A 51 -7.305 -10.799 -7.327 1.00 0.00 O ATOM 761 CB GLU A 51 -8.511 -9.379 -9.911 1.00 0.00 C ATOM 762 CG GLU A 51 -8.609 -8.208 -10.892 1.00 0.00 C ATOM 763 CD GLU A 51 -9.107 -8.718 -12.247 1.00 0.00 C ATOM 764 OE1 GLU A 51 -8.441 -9.563 -12.820 1.00 0.00 O ATOM 765 OE2 GLU A 51 -10.146 -8.254 -12.687 1.00 0.00 O ATOM 0 H GLU A 51 -6.118 -8.828 -9.585 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.538 -7.976 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.843 -10.144 -10.306 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.489 -9.844 -9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.290 -7.450 -10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.635 -7.733 -11.006 1.00 0.00 H new ATOM 772 N PRO A 52 -9.289 -10.004 -6.802 1.00 0.00 N ATOM 773 CA PRO A 52 -9.500 -11.064 -5.776 1.00 0.00 C ATOM 774 C PRO A 52 -9.526 -12.464 -6.410 1.00 0.00 C ATOM 775 O PRO A 52 -10.034 -12.650 -7.499 1.00 0.00 O ATOM 776 CB PRO A 52 -10.869 -10.683 -5.177 1.00 0.00 C ATOM 777 CG PRO A 52 -11.506 -9.616 -6.087 1.00 0.00 C ATOM 778 CD PRO A 52 -10.396 -9.019 -6.967 1.00 0.00 C ATOM 0 HA PRO A 52 -8.704 -11.114 -5.033 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.513 -11.560 -5.109 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.748 -10.298 -4.165 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.286 -10.059 -6.706 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.978 -8.837 -5.488 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.707 -8.929 -8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.106 -8.023 -6.634 1.00 0.00 H new ATOM 853 N ASP A 58 -10.704 -12.245 0.187 1.00 0.00 N ATOM 854 CA ASP A 58 -9.563 -11.351 0.556 1.00 0.00 C ATOM 855 C ASP A 58 -8.998 -10.675 -0.696 1.00 0.00 C ATOM 856 O ASP A 58 -9.088 -11.183 -1.797 1.00 0.00 O ATOM 857 CB ASP A 58 -8.464 -12.185 1.218 1.00 0.00 C ATOM 858 CG ASP A 58 -9.024 -12.870 2.466 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.736 -13.849 2.311 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.733 -12.404 3.555 1.00 0.00 O ATOM 0 HA ASP A 58 -9.917 -10.585 1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.088 -12.932 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.622 -11.548 1.487 1.00 0.00 H new ATOM 865 N ARG A 59 -8.390 -9.533 -0.508 1.00 0.00 N ATOM 866 CA ARG A 59 -7.765 -8.778 -1.638 1.00 0.00 C ATOM 867 C ARG A 59 -6.274 -8.638 -1.337 1.00 0.00 C ATOM 868 O ARG A 59 -5.884 -8.402 -0.211 1.00 0.00 O ATOM 869 CB ARG A 59 -8.400 -7.387 -1.748 1.00 0.00 C ATOM 870 CG ARG A 59 -9.853 -7.508 -2.274 1.00 0.00 C ATOM 871 CD ARG A 59 -10.285 -6.234 -3.015 1.00 0.00 C ATOM 872 NE ARG A 59 -11.764 -6.250 -3.194 1.00 0.00 N ATOM 873 CZ ARG A 59 -12.393 -5.156 -3.529 1.00 0.00 C ATOM 874 NH1 ARG A 59 -11.726 -4.050 -3.709 1.00 0.00 N ATOM 875 NH2 ARG A 59 -13.688 -5.170 -3.684 1.00 0.00 N ATOM 0 H ARG A 59 -8.298 -9.081 0.402 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.919 -9.306 -2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.397 -6.899 -0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.812 -6.762 -2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.930 -8.365 -2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.530 -7.694 -1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.984 -5.351 -2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.790 -6.177 -3.984 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.285 -7.116 -3.055 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.713 -4.040 -3.588 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.217 -3.195 -3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.209 -6.035 -3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.180 -4.315 -3.946 1.00 0.00 H new ATOM 889 N ILE A 60 -5.435 -8.802 -2.331 1.00 0.00 N ATOM 890 CA ILE A 60 -3.958 -8.702 -2.103 1.00 0.00 C ATOM 891 C ILE A 60 -3.404 -7.411 -2.715 1.00 0.00 C ATOM 892 O ILE A 60 -3.971 -6.842 -3.627 1.00 0.00 O ATOM 893 CB ILE A 60 -3.287 -9.921 -2.737 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.661 -11.161 -1.915 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.765 -9.746 -2.726 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.318 -12.416 -2.703 1.00 0.00 C ATOM 0 H ILE A 60 -5.710 -9.001 -3.293 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.752 -8.678 -1.033 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.622 -10.032 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.124 -11.157 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.725 -11.147 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.295 -10.619 -3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.497 -8.854 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.418 -9.640 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.584 -13.297 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.875 -12.421 -3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.249 -12.431 -2.916 1.00 0.00 H new ATOM 908 N ILE A 61 -2.297 -6.949 -2.199 1.00 0.00 N ATOM 909 CA ILE A 61 -1.686 -5.689 -2.725 1.00 0.00 C ATOM 910 C ILE A 61 -0.170 -5.844 -2.822 1.00 0.00 C ATOM 911 O ILE A 61 0.452 -6.441 -1.971 1.00 0.00 O ATOM 912 CB ILE A 61 -2.014 -4.533 -1.773 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.527 -4.292 -1.804 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.270 -3.264 -2.225 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.891 -3.140 -0.869 1.00 0.00 C ATOM 0 H ILE A 61 -1.786 -7.389 -1.434 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.090 -5.482 -3.716 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.700 -4.780 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.846 -4.061 -2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.054 -5.197 -1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.505 -2.444 -1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.196 -3.448 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.582 -3.000 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.968 -2.975 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.588 -3.387 0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.377 -2.234 -1.190 1.00 0.00 H new ATOM 927 N THR A 62 0.424 -5.301 -3.857 1.00 0.00 N ATOM 928 CA THR A 62 1.910 -5.400 -4.033 1.00 0.00 C ATOM 929 C THR A 62 2.521 -4.000 -3.958 1.00 0.00 C ATOM 930 O THR A 62 2.155 -3.114 -4.705 1.00 0.00 O ATOM 931 CB THR A 62 2.215 -6.020 -5.401 1.00 0.00 C ATOM 932 OG1 THR A 62 1.526 -7.257 -5.520 1.00 0.00 O ATOM 933 CG2 THR A 62 3.720 -6.260 -5.530 1.00 0.00 C ATOM 0 H THR A 62 -0.060 -4.789 -4.594 1.00 0.00 H new ATOM 0 HA THR A 62 2.335 -6.024 -3.247 1.00 0.00 H new ATOM 0 HB THR A 62 1.888 -5.342 -6.190 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.718 -7.655 -6.395 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.936 -6.701 -6.503 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.249 -5.312 -5.436 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.049 -6.939 -4.743 1.00 0.00 H new ATOM 941 N ILE A 63 3.447 -3.789 -3.054 1.00 0.00 N ATOM 942 CA ILE A 63 4.089 -2.446 -2.908 1.00 0.00 C ATOM 943 C ILE A 63 5.473 -2.472 -3.558 1.00 0.00 C ATOM 944 O ILE A 63 6.240 -3.386 -3.324 1.00 0.00 O ATOM 945 CB ILE A 63 4.259 -2.139 -1.418 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.932 -2.399 -0.696 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.670 -0.671 -1.246 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.026 -1.915 0.752 1.00 0.00 C ATOM 0 H ILE A 63 3.788 -4.498 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 63 3.467 -1.689 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 63 5.032 -2.779 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.121 -1.883 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.698 -3.463 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.792 -0.449 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.612 -0.494 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.898 -0.026 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.080 -2.102 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.825 -2.451 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.240 -0.846 0.765 1.00 0.00 H new ATOM 960 N THR A 64 5.817 -1.485 -4.352 1.00 0.00 N ATOM 961 CA THR A 64 7.181 -1.474 -4.987 1.00 0.00 C ATOM 962 C THR A 64 7.826 -0.106 -4.766 1.00 0.00 C ATOM 963 O THR A 64 7.224 0.918 -5.019 1.00 0.00 O ATOM 964 CB THR A 64 7.055 -1.748 -6.488 1.00 0.00 C ATOM 965 OG1 THR A 64 6.203 -2.866 -6.693 1.00 0.00 O ATOM 966 CG2 THR A 64 8.438 -2.043 -7.072 1.00 0.00 C ATOM 0 H THR A 64 5.221 -0.692 -4.588 1.00 0.00 H new ATOM 0 HA THR A 64 7.800 -2.249 -4.535 1.00 0.00 H new ATOM 0 HB THR A 64 6.633 -0.874 -6.984 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.120 -3.042 -7.653 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.348 -2.238 -8.141 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.091 -1.184 -6.914 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.863 -2.917 -6.578 1.00 0.00 H new ATOM 974 N GLY A 65 9.041 -0.075 -4.283 1.00 0.00 N ATOM 975 CA GLY A 65 9.728 1.220 -4.028 1.00 0.00 C ATOM 976 C GLY A 65 10.913 0.974 -3.086 1.00 0.00 C ATOM 977 O GLY A 65 11.226 -0.153 -2.755 1.00 0.00 O ATOM 0 H GLY A 65 9.590 -0.903 -4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.075 1.654 -4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.035 1.934 -3.584 1.00 0.00 H new ATOM 981 N THR A 66 11.574 2.010 -2.648 1.00 0.00 N ATOM 982 CA THR A 66 12.733 1.814 -1.726 1.00 0.00 C ATOM 983 C THR A 66 12.224 1.397 -0.341 1.00 0.00 C ATOM 984 O THR A 66 11.076 1.597 0.005 1.00 0.00 O ATOM 985 CB THR A 66 13.538 3.113 -1.617 1.00 0.00 C ATOM 986 OG1 THR A 66 12.646 4.212 -1.492 1.00 0.00 O ATOM 987 CG2 THR A 66 14.397 3.290 -2.870 1.00 0.00 C ATOM 0 H THR A 66 11.365 2.980 -2.886 1.00 0.00 H new ATOM 0 HA THR A 66 13.379 1.030 -2.122 1.00 0.00 H new ATOM 0 HB THR A 66 14.184 3.068 -0.740 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.160 5.044 -1.421 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.969 4.214 -2.791 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.081 2.447 -2.964 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.754 3.335 -3.749 1.00 0.00 H new ATOM 995 N GLN A 67 13.085 0.800 0.444 1.00 0.00 N ATOM 996 CA GLN A 67 12.691 0.336 1.808 1.00 0.00 C ATOM 997 C GLN A 67 11.916 1.438 2.540 1.00 0.00 C ATOM 998 O GLN A 67 10.892 1.194 3.146 1.00 0.00 O ATOM 999 CB GLN A 67 13.967 -0.021 2.604 1.00 0.00 C ATOM 1000 CG GLN A 67 13.707 -1.220 3.525 1.00 0.00 C ATOM 1001 CD GLN A 67 12.520 -0.914 4.440 1.00 0.00 C ATOM 1002 OE1 GLN A 67 12.372 0.291 4.914 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 11.719 -1.782 4.726 1.00 0.00 N flip ATOM 0 H GLN A 67 14.056 0.612 0.194 1.00 0.00 H new ATOM 0 HA GLN A 67 12.050 -0.541 1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.779 -0.253 1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.286 0.837 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.501 -2.110 2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.594 -1.433 4.122 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.835 -2.725 4.355 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.931 -1.567 5.337 1.00 0.00 H new ATOM 1012 N ASP A 68 12.409 2.643 2.503 1.00 0.00 N ATOM 1013 CA ASP A 68 11.712 3.750 3.212 1.00 0.00 C ATOM 1014 C ASP A 68 10.383 4.055 2.523 1.00 0.00 C ATOM 1015 O ASP A 68 9.367 4.211 3.171 1.00 0.00 O ATOM 1016 CB ASP A 68 12.593 5.001 3.205 1.00 0.00 C ATOM 1017 CG ASP A 68 13.915 4.699 3.915 1.00 0.00 C ATOM 1018 OD1 ASP A 68 13.869 4.122 4.988 1.00 0.00 O ATOM 1019 OD2 ASP A 68 14.949 5.049 3.371 1.00 0.00 O ATOM 0 H ASP A 68 13.263 2.909 2.013 1.00 0.00 H new ATOM 0 HA ASP A 68 11.519 3.448 4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.783 5.319 2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.080 5.823 3.704 1.00 0.00 H new ATOM 1024 N GLN A 69 10.369 4.154 1.224 1.00 0.00 N ATOM 1025 CA GLN A 69 9.091 4.463 0.529 1.00 0.00 C ATOM 1026 C GLN A 69 8.054 3.388 0.871 1.00 0.00 C ATOM 1027 O GLN A 69 6.879 3.661 1.013 1.00 0.00 O ATOM 1028 CB GLN A 69 9.319 4.489 -0.983 1.00 0.00 C ATOM 1029 CG GLN A 69 10.151 5.718 -1.355 1.00 0.00 C ATOM 1030 CD GLN A 69 10.602 5.607 -2.813 1.00 0.00 C ATOM 1031 OE1 GLN A 69 9.925 4.854 -3.637 1.00 0.00 O flip ATOM 1032 NE2 GLN A 69 11.581 6.209 -3.206 1.00 0.00 N flip ATOM 0 H GLN A 69 11.181 4.035 0.618 1.00 0.00 H new ATOM 0 HA GLN A 69 8.729 5.438 0.855 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.832 3.581 -1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.362 4.513 -1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.563 6.625 -1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.019 5.795 -0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.110 6.797 -2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.874 6.126 -4.180 1.00 0.00 H new ATOM 1041 N ILE A 70 8.492 2.162 1.004 1.00 0.00 N ATOM 1042 CA ILE A 70 7.560 1.046 1.335 1.00 0.00 C ATOM 1043 C ILE A 70 7.094 1.152 2.792 1.00 0.00 C ATOM 1044 O ILE A 70 5.922 1.015 3.081 1.00 0.00 O ATOM 1045 CB ILE A 70 8.286 -0.293 1.133 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.501 -0.534 -0.364 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.448 -1.440 1.718 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.439 -1.728 -0.565 1.00 0.00 C ATOM 0 H ILE A 70 9.468 1.885 0.896 1.00 0.00 H new ATOM 0 HA ILE A 70 6.690 1.105 0.681 1.00 0.00 H new ATOM 0 HB ILE A 70 9.249 -0.257 1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.545 -0.724 -0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.925 0.356 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.971 -2.385 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.296 -1.273 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.482 -1.478 1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.590 -1.897 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.398 -1.521 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.997 -2.617 -0.116 1.00 0.00 H new ATOM 1060 N GLN A 71 7.988 1.390 3.717 1.00 0.00 N ATOM 1061 CA GLN A 71 7.581 1.500 5.147 1.00 0.00 C ATOM 1062 C GLN A 71 6.583 2.646 5.311 1.00 0.00 C ATOM 1063 O GLN A 71 5.587 2.519 5.996 1.00 0.00 O ATOM 1064 CB GLN A 71 8.821 1.781 5.998 1.00 0.00 C ATOM 1065 CG GLN A 71 8.423 1.866 7.473 1.00 0.00 C ATOM 1066 CD GLN A 71 9.683 1.936 8.337 1.00 0.00 C ATOM 1067 OE1 GLN A 71 10.802 2.344 7.805 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 9.649 1.615 9.508 1.00 0.00 N flip ATOM 0 H GLN A 71 8.985 1.513 3.541 1.00 0.00 H new ATOM 0 HA GLN A 71 7.114 0.568 5.467 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.559 0.992 5.855 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.287 2.714 5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.803 2.746 7.643 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.826 0.997 7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.774 1.296 9.924 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.495 1.665 10.075 1.00 0.00 H new ATOM 1077 N ASN A 72 6.836 3.765 4.688 1.00 0.00 N ATOM 1078 CA ASN A 72 5.894 4.910 4.812 1.00 0.00 C ATOM 1079 C ASN A 72 4.534 4.486 4.264 1.00 0.00 C ATOM 1080 O ASN A 72 3.499 4.820 4.806 1.00 0.00 O ATOM 1081 CB ASN A 72 6.422 6.103 4.011 1.00 0.00 C ATOM 1082 CG ASN A 72 5.601 7.349 4.349 1.00 0.00 C ATOM 1083 OD1 ASN A 72 4.458 7.247 4.746 1.00 0.00 O ATOM 1084 ND2 ASN A 72 6.140 8.529 4.205 1.00 0.00 N ATOM 0 H ASN A 72 7.652 3.934 4.100 1.00 0.00 H new ATOM 0 HA ASN A 72 5.800 5.200 5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.473 6.273 4.243 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.361 5.893 2.943 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.601 9.366 4.426 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.100 8.614 3.871 1.00 0.00 H new ATOM 1091 N ALA A 73 4.533 3.747 3.191 1.00 0.00 N ATOM 1092 CA ALA A 73 3.249 3.290 2.600 1.00 0.00 C ATOM 1093 C ALA A 73 2.609 2.249 3.519 1.00 0.00 C ATOM 1094 O ALA A 73 1.430 2.297 3.809 1.00 0.00 O ATOM 1095 CB ALA A 73 3.518 2.658 1.232 1.00 0.00 C ATOM 0 H ALA A 73 5.371 3.439 2.697 1.00 0.00 H new ATOM 0 HA ALA A 73 2.577 4.140 2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.578 2.321 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.980 3.395 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.188 1.807 1.350 1.00 0.00 H new ATOM 1101 N GLN A 74 3.385 1.300 3.971 1.00 0.00 N ATOM 1102 CA GLN A 74 2.857 0.235 4.860 1.00 0.00 C ATOM 1103 C GLN A 74 2.222 0.853 6.113 1.00 0.00 C ATOM 1104 O GLN A 74 1.118 0.517 6.490 1.00 0.00 O ATOM 1105 CB GLN A 74 4.028 -0.679 5.263 1.00 0.00 C ATOM 1106 CG GLN A 74 3.517 -2.087 5.554 1.00 0.00 C ATOM 1107 CD GLN A 74 4.628 -2.911 6.208 1.00 0.00 C ATOM 1108 OE1 GLN A 74 4.505 -3.326 7.343 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.716 -3.167 5.534 1.00 0.00 N ATOM 0 H GLN A 74 4.379 1.220 3.755 1.00 0.00 H new ATOM 0 HA GLN A 74 2.091 -0.339 4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.767 -0.710 4.463 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.528 -0.276 6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.649 -2.041 6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.192 -2.565 4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.819 -2.819 4.581 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.463 -3.716 5.960 1.00 0.00 H new ATOM 1118 N TYR A 75 2.919 1.739 6.773 1.00 0.00 N ATOM 1119 CA TYR A 75 2.354 2.353 8.008 1.00 0.00 C ATOM 1120 C TYR A 75 1.058 3.096 7.678 1.00 0.00 C ATOM 1121 O TYR A 75 0.118 3.081 8.448 1.00 0.00 O ATOM 1122 CB TYR A 75 3.368 3.322 8.619 1.00 0.00 C ATOM 1123 CG TYR A 75 2.866 3.796 9.962 1.00 0.00 C ATOM 1124 CD1 TYR A 75 2.065 4.942 10.046 1.00 0.00 C ATOM 1125 CD2 TYR A 75 3.200 3.090 11.124 1.00 0.00 C ATOM 1126 CE1 TYR A 75 1.599 5.381 11.290 1.00 0.00 C ATOM 1127 CE2 TYR A 75 2.735 3.530 12.368 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.934 4.676 12.452 1.00 0.00 C ATOM 1129 OH TYR A 75 1.476 5.109 13.679 1.00 0.00 O ATOM 0 H TYR A 75 3.850 2.062 6.512 1.00 0.00 H new ATOM 0 HA TYR A 75 2.137 1.564 8.728 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.334 2.830 8.733 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.520 4.173 7.955 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.807 5.487 9.150 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.817 2.206 11.060 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.981 6.264 11.354 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.994 2.986 13.264 1.00 0.00 H new ATOM 0 HH TYR A 75 1.799 4.506 14.380 1.00 0.00 H new ATOM 1139 N LEU A 76 0.986 3.746 6.548 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.270 4.474 6.209 1.00 0.00 C ATOM 1141 C LEU A 76 -1.370 3.453 5.905 1.00 0.00 C ATOM 1142 O LEU A 76 -2.545 3.759 5.969 1.00 0.00 O ATOM 1143 CB LEU A 76 -0.049 5.385 4.996 1.00 0.00 C ATOM 1144 CG LEU A 76 0.969 6.490 5.335 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.574 7.047 4.043 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.280 7.635 6.091 1.00 0.00 C ATOM 0 H LEU A 76 1.731 3.805 5.854 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.567 5.095 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.310 4.797 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.995 5.833 4.692 1.00 0.00 H new ATOM 0 HG LEU A 76 1.752 6.061 5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.294 7.829 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.077 6.246 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.782 7.464 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.011 8.409 6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.510 8.057 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.151 7.253 7.016 1.00 0.00 H new ATOM 1158 N LEU A 77 -1.004 2.238 5.594 1.00 0.00 N ATOM 1159 CA LEU A 77 -2.040 1.204 5.310 1.00 0.00 C ATOM 1160 C LEU A 77 -2.563 0.655 6.644 1.00 0.00 C ATOM 1161 O LEU A 77 -3.752 0.513 6.854 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.420 0.056 4.481 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.449 0.396 2.976 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.450 -0.495 2.232 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.852 0.156 2.389 1.00 0.00 C ATOM 0 H LEU A 77 -0.038 1.918 5.525 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.859 1.645 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.392 -0.117 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.969 -0.868 4.661 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.186 1.447 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.470 -0.255 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.553 -0.323 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.720 -1.541 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.849 0.402 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.126 -0.891 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.575 0.787 2.906 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.664 0.344 7.541 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.061 -0.208 8.869 1.00 0.00 C ATOM 1179 C GLN A 78 -2.908 0.809 9.649 1.00 0.00 C ATOM 1180 O GLN A 78 -3.859 0.449 10.314 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.791 -0.528 9.674 1.00 0.00 C ATOM 1182 CG GLN A 78 -0.176 -1.842 9.178 1.00 0.00 C ATOM 1183 CD GLN A 78 1.164 -2.075 9.879 1.00 0.00 C ATOM 1184 OE1 GLN A 78 1.796 -1.141 10.332 1.00 0.00 O ATOM 1185 NE2 GLN A 78 1.625 -3.291 9.990 1.00 0.00 N ATOM 0 H GLN A 78 -0.658 0.451 7.407 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.653 -1.110 8.714 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.070 0.283 9.570 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.032 -0.607 10.734 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.853 -2.672 9.380 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.032 -1.804 8.098 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.094 -4.074 9.610 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.516 -3.458 10.457 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.569 2.073 9.584 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.365 3.088 10.343 1.00 0.00 C ATOM 1196 C ASN A 79 -4.661 3.398 9.591 1.00 0.00 C ATOM 1197 O ASN A 79 -5.623 3.844 10.182 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.549 4.361 10.570 1.00 0.00 C ATOM 1199 CG ASN A 79 -3.260 5.248 11.594 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -3.650 4.787 12.647 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -3.445 6.512 11.326 1.00 0.00 N ATOM 0 H ASN A 79 -1.786 2.443 9.046 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.616 2.677 11.321 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.550 4.107 10.925 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.426 4.899 9.630 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.917 7.113 12.002 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.117 6.899 10.441 1.00 0.00 H new ATOM 1208 N SER A 80 -4.722 3.162 8.313 1.00 0.00 N ATOM 1209 CA SER A 80 -5.999 3.454 7.606 1.00 0.00 C ATOM 1210 C SER A 80 -7.056 2.500 8.163 1.00 0.00 C ATOM 1211 O SER A 80 -8.220 2.833 8.265 1.00 0.00 O ATOM 1212 CB SER A 80 -5.837 3.247 6.099 1.00 0.00 C ATOM 1213 OG SER A 80 -7.114 3.318 5.477 1.00 0.00 O ATOM 0 H SER A 80 -3.966 2.790 7.738 1.00 0.00 H new ATOM 0 HA SER A 80 -6.295 4.491 7.764 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.175 4.007 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.376 2.280 5.900 1.00 0.00 H new ATOM 0 HG SER A 80 -7.015 3.187 4.511 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.659 1.301 8.499 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.631 0.296 9.024 1.00 0.00 C ATOM 1221 C VAL A 81 -8.150 0.709 10.410 1.00 0.00 C ATOM 1222 O VAL A 81 -9.308 0.521 10.725 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.940 -1.085 9.132 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.975 -2.202 8.949 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.848 -1.216 8.057 1.00 0.00 C ATOM 0 H VAL A 81 -5.696 0.972 8.432 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.474 0.241 8.335 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.484 -1.172 10.118 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.482 -3.171 9.026 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.739 -2.121 9.723 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.441 -2.109 7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.369 -2.191 8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.297 -1.118 7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.104 -0.432 8.197 1.00 0.00 H new