USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=17 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 67 GLN :FLIP amide:sc= -3.32! C(o=-5.4!,f=-3.3!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -0.0116 F(o=-5.7,f=-3.3) 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+ 161:sc= -0.243 (180deg=-1.21!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00366 USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= -0.971 (180deg=-1.67) USER MOD Single : A 34 GLN : amide:sc=-0.00137 X(o=-0.0014,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 43 SER OG : rot -84:sc= 1.19 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= -1.71 (180deg=-2.44!) 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 66 THR OG1 : rot 180:sc= -0.882 USER MOD Single : A 69 GLN : amide:sc= -1.88! X(o=-1.9!,f=-1.4) USER MOD Single : A 72 ASN : amide:sc= -0.576 K(o=-0.58,f=-4.5!) USER MOD Single : A 74 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.3!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot -40:sc= 0.775 USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 13 15.867 -2.197 -5.418 1.00 0.00 N ATOM 148 CA ILE A 13 14.397 -2.070 -5.222 1.00 0.00 C ATOM 149 C ILE A 13 13.868 -3.347 -4.559 1.00 0.00 C ATOM 150 O ILE A 13 14.359 -4.429 -4.810 1.00 0.00 O ATOM 151 CB ILE A 13 13.729 -1.880 -6.592 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.451 -0.769 -7.365 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.253 -1.504 -6.422 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.547 0.500 -6.510 1.00 0.00 C ATOM 0 HA ILE A 13 14.173 -1.214 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 13 13.793 -2.817 -7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.450 -1.103 -7.646 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.915 -0.553 -8.289 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.796 -1.373 -7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.735 -2.297 -5.883 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.177 -0.574 -5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.062 1.279 -7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.545 0.841 -6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.103 0.283 -5.598 1.00 0.00 H new ATOM 166 N ILE A 14 12.883 -3.228 -3.701 1.00 0.00 N ATOM 167 CA ILE A 14 12.322 -4.423 -2.993 1.00 0.00 C ATOM 168 C ILE A 14 10.819 -4.514 -3.264 1.00 0.00 C ATOM 169 O ILE A 14 10.157 -3.510 -3.444 1.00 0.00 O ATOM 170 CB ILE A 14 12.559 -4.242 -1.488 1.00 0.00 C ATOM 171 CG1 ILE A 14 14.066 -4.156 -1.230 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.976 -5.432 -0.717 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.325 -3.836 0.243 1.00 0.00 C ATOM 0 H ILE A 14 12.438 -2.343 -3.458 1.00 0.00 H new ATOM 0 HA ILE A 14 12.805 -5.334 -3.346 1.00 0.00 H new ATOM 0 HB ILE A 14 12.069 -3.329 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.544 -5.099 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.508 -3.386 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.149 -5.294 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.904 -5.498 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.459 -6.351 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.399 -3.776 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.863 -2.882 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.898 -4.622 0.866 1.00 0.00 H new ATOM 185 N THR A 15 10.266 -5.704 -3.274 1.00 0.00 N ATOM 186 CA THR A 15 8.798 -5.872 -3.507 1.00 0.00 C ATOM 187 C THR A 15 8.220 -6.696 -2.356 1.00 0.00 C ATOM 188 O THR A 15 8.806 -7.666 -1.918 1.00 0.00 O ATOM 189 CB THR A 15 8.565 -6.610 -4.827 1.00 0.00 C ATOM 190 OG1 THR A 15 9.428 -6.081 -5.825 1.00 0.00 O ATOM 191 CG2 THR A 15 7.111 -6.435 -5.261 1.00 0.00 C ATOM 0 H THR A 15 10.776 -6.575 -3.129 1.00 0.00 H new ATOM 0 HA THR A 15 8.314 -4.897 -3.556 1.00 0.00 H new ATOM 0 HB THR A 15 8.776 -7.671 -4.692 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.280 -6.555 -6.670 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.946 -6.961 -6.201 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.451 -6.844 -4.496 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.897 -5.375 -5.396 1.00 0.00 H new ATOM 199 N THR A 16 7.074 -6.313 -1.868 1.00 0.00 N ATOM 200 CA THR A 16 6.432 -7.060 -0.743 1.00 0.00 C ATOM 201 C THR A 16 4.927 -7.150 -1.007 1.00 0.00 C ATOM 202 O THR A 16 4.344 -6.229 -1.544 1.00 0.00 O ATOM 203 CB THR A 16 6.685 -6.313 0.574 1.00 0.00 C ATOM 204 OG1 THR A 16 6.013 -6.982 1.631 1.00 0.00 O ATOM 205 CG2 THR A 16 6.168 -4.877 0.467 1.00 0.00 C ATOM 0 H THR A 16 6.547 -5.506 -2.202 1.00 0.00 H new ATOM 0 HA THR A 16 6.853 -8.063 -0.671 1.00 0.00 H new ATOM 0 HB THR A 16 7.756 -6.292 0.775 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.175 -6.508 2.473 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.351 -4.353 1.405 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.686 -4.363 -0.342 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.098 -4.890 0.262 1.00 0.00 H new ATOM 213 N GLN A 17 4.290 -8.246 -0.648 1.00 0.00 N ATOM 214 CA GLN A 17 2.811 -8.373 -0.904 1.00 0.00 C ATOM 215 C GLN A 17 2.045 -8.342 0.420 1.00 0.00 C ATOM 216 O GLN A 17 2.517 -8.812 1.436 1.00 0.00 O ATOM 217 CB GLN A 17 2.520 -9.687 -1.634 1.00 0.00 C ATOM 218 CG GLN A 17 3.105 -9.632 -3.046 1.00 0.00 C ATOM 219 CD GLN A 17 3.009 -11.016 -3.691 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.783 -11.899 -3.379 1.00 0.00 O ATOM 221 NE2 GLN A 17 2.084 -11.244 -4.584 1.00 0.00 N ATOM 0 H GLN A 17 4.723 -9.050 -0.194 1.00 0.00 H new ATOM 0 HA GLN A 17 2.488 -7.537 -1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.951 -10.523 -1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.444 -9.857 -1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.565 -8.901 -3.647 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.145 -9.308 -3.008 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.434 -10.503 -4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.011 -12.163 -5.020 1.00 0.00 H new ATOM 230 N VAL A 18 0.860 -7.778 0.404 1.00 0.00 N ATOM 231 CA VAL A 18 0.025 -7.683 1.642 1.00 0.00 C ATOM 232 C VAL A 18 -1.348 -8.307 1.369 1.00 0.00 C ATOM 233 O VAL A 18 -1.823 -8.323 0.252 1.00 0.00 O ATOM 234 CB VAL A 18 -0.171 -6.200 1.986 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.706 -6.063 3.414 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.167 -5.469 1.871 1.00 0.00 C ATOM 0 H VAL A 18 0.431 -7.374 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 18 0.515 -8.204 2.464 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.888 -5.763 1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.843 -5.008 3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.662 -6.580 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.005 -6.503 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.028 -4.416 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.884 -5.911 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.544 -5.559 0.852 1.00 0.00 H new ATOM 246 N THR A 19 -1.986 -8.807 2.395 1.00 0.00 N ATOM 247 CA THR A 19 -3.342 -9.425 2.241 1.00 0.00 C ATOM 248 C THR A 19 -4.284 -8.744 3.241 1.00 0.00 C ATOM 249 O THR A 19 -3.975 -8.623 4.410 1.00 0.00 O ATOM 250 CB THR A 19 -3.253 -10.930 2.534 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.078 -11.454 1.934 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.480 -11.644 1.960 1.00 0.00 C ATOM 0 H THR A 19 -1.622 -8.815 3.348 1.00 0.00 H new ATOM 0 HA THR A 19 -3.716 -9.293 1.226 1.00 0.00 H new ATOM 0 HB THR A 19 -3.219 -11.088 3.612 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.016 -12.414 2.120 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.412 -12.711 2.171 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.383 -11.241 2.418 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.520 -11.489 0.882 1.00 0.00 H new ATOM 260 N ILE A 20 -5.424 -8.288 2.781 1.00 0.00 N ATOM 261 CA ILE A 20 -6.405 -7.591 3.684 1.00 0.00 C ATOM 262 C ILE A 20 -7.783 -8.283 3.557 1.00 0.00 C ATOM 263 O ILE A 20 -8.188 -8.616 2.461 1.00 0.00 O ATOM 264 CB ILE A 20 -6.549 -6.109 3.221 1.00 0.00 C ATOM 265 CG1 ILE A 20 -6.095 -5.975 1.757 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.689 -5.188 4.099 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.657 -4.692 1.144 1.00 0.00 C ATOM 0 H ILE A 20 -5.723 -8.368 1.809 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.056 -7.633 4.716 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.595 -5.818 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.006 -5.964 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.432 -6.838 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.800 -4.157 3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.013 -5.269 5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.643 -5.484 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.328 -4.609 0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.746 -4.719 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.298 -3.831 1.708 1.00 0.00 H new ATOM 279 N PRO A 21 -8.528 -8.469 4.627 1.00 0.00 N ATOM 280 CA PRO A 21 -9.874 -9.089 4.493 1.00 0.00 C ATOM 281 C PRO A 21 -10.764 -8.257 3.553 1.00 0.00 C ATOM 282 O PRO A 21 -10.588 -7.062 3.423 1.00 0.00 O ATOM 283 CB PRO A 21 -10.407 -9.086 5.941 1.00 0.00 C ATOM 284 CG PRO A 21 -9.350 -8.427 6.852 1.00 0.00 C ATOM 285 CD PRO A 21 -8.104 -8.096 6.007 1.00 0.00 C ATOM 0 HA PRO A 21 -9.854 -10.088 4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.348 -8.539 5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.610 -10.105 6.272 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.753 -7.520 7.302 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.085 -9.098 7.669 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.837 -7.041 6.076 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.233 -8.667 6.330 1.00 0.00 H new ATOM 293 N LYS A 22 -11.688 -8.874 2.874 1.00 0.00 N ATOM 294 CA LYS A 22 -12.545 -8.118 1.926 1.00 0.00 C ATOM 295 C LYS A 22 -13.266 -6.958 2.632 1.00 0.00 C ATOM 296 O LYS A 22 -13.405 -5.884 2.080 1.00 0.00 O ATOM 297 CB LYS A 22 -13.569 -9.077 1.316 1.00 0.00 C ATOM 298 CG LYS A 22 -14.484 -8.306 0.370 1.00 0.00 C ATOM 299 CD LYS A 22 -15.313 -9.285 -0.476 1.00 0.00 C ATOM 300 CE LYS A 22 -16.421 -9.917 0.375 1.00 0.00 C ATOM 301 NZ LYS A 22 -17.210 -8.850 1.053 1.00 0.00 N ATOM 0 H LYS A 22 -11.886 -9.873 2.936 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.917 -7.691 1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.060 -9.876 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.156 -9.549 2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.146 -7.656 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.890 -7.664 -0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.751 -8.761 -1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.667 -10.064 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.075 -10.521 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.985 -10.586 1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.127 -9.236 1.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.687 -8.507 1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.367 -8.062 0.393 1.00 0.00 H new ATOM 315 N ASP A 23 -13.754 -7.164 3.825 1.00 0.00 N ATOM 316 CA ASP A 23 -14.493 -6.069 4.525 1.00 0.00 C ATOM 317 C ASP A 23 -13.585 -4.862 4.800 1.00 0.00 C ATOM 318 O ASP A 23 -13.949 -3.723 4.547 1.00 0.00 O ATOM 319 CB ASP A 23 -15.065 -6.593 5.843 1.00 0.00 C ATOM 320 CG ASP A 23 -15.835 -5.475 6.548 1.00 0.00 C ATOM 321 OD1 ASP A 23 -16.012 -4.430 5.942 1.00 0.00 O ATOM 322 OD2 ASP A 23 -16.235 -5.681 7.681 1.00 0.00 O ATOM 0 H ASP A 23 -13.675 -8.038 4.345 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.303 -5.740 3.873 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.725 -7.440 5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.260 -6.953 6.483 1.00 0.00 H new ATOM 327 N LEU A 24 -12.395 -5.081 5.284 1.00 0.00 N ATOM 328 CA LEU A 24 -11.473 -3.945 5.546 1.00 0.00 C ATOM 329 C LEU A 24 -10.892 -3.480 4.219 1.00 0.00 C ATOM 330 O LEU A 24 -10.494 -2.344 4.063 1.00 0.00 O ATOM 331 CB LEU A 24 -10.319 -4.397 6.450 1.00 0.00 C ATOM 332 CG LEU A 24 -10.846 -4.956 7.782 1.00 0.00 C ATOM 333 CD1 LEU A 24 -9.656 -5.236 8.721 1.00 0.00 C ATOM 334 CD2 LEU A 24 -11.799 -3.945 8.446 1.00 0.00 C ATOM 0 H LEU A 24 -12.021 -6.003 5.510 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.022 -3.141 6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.730 -5.159 5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.653 -3.556 6.643 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.392 -5.880 7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.025 -5.633 9.667 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.990 -5.964 8.257 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.111 -4.310 8.904 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.164 -4.354 9.388 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.266 -3.014 8.637 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.642 -3.751 7.783 1.00 0.00 H new ATOM 346 N ALA A 25 -10.827 -4.364 3.264 1.00 0.00 N ATOM 347 CA ALA A 25 -10.257 -3.995 1.948 1.00 0.00 C ATOM 348 C ALA A 25 -11.066 -2.854 1.345 1.00 0.00 C ATOM 349 O ALA A 25 -10.540 -1.959 0.718 1.00 0.00 O ATOM 350 CB ALA A 25 -10.336 -5.199 1.015 1.00 0.00 C ATOM 0 H ALA A 25 -11.147 -5.329 3.343 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.220 -3.685 2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.918 -4.935 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.769 -6.027 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.377 -5.497 0.893 1.00 0.00 H new ATOM 356 N ARG A 26 -12.359 -2.893 1.531 1.00 0.00 N ATOM 357 CA ARG A 26 -13.221 -1.825 0.964 1.00 0.00 C ATOM 358 C ARG A 26 -13.046 -0.563 1.798 1.00 0.00 C ATOM 359 O ARG A 26 -13.147 0.538 1.293 1.00 0.00 O ATOM 360 CB ARG A 26 -14.685 -2.270 0.966 1.00 0.00 C ATOM 361 CG ARG A 26 -14.851 -3.467 0.028 1.00 0.00 C ATOM 362 CD ARG A 26 -16.308 -3.934 0.045 1.00 0.00 C ATOM 363 NE ARG A 26 -16.496 -5.005 -0.975 1.00 0.00 N ATOM 364 CZ ARG A 26 -17.562 -5.758 -0.943 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.462 -5.573 -0.016 1.00 0.00 N ATOM 366 NH2 ARG A 26 -17.726 -6.695 -1.835 1.00 0.00 N ATOM 0 H ARG A 26 -12.851 -3.619 2.051 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.931 -1.624 -0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.994 -2.539 1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.327 -1.450 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.559 -3.191 -0.985 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.194 -4.280 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.570 -4.309 1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.973 -3.096 -0.165 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.791 -5.149 -1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.332 -4.841 0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.295 -6.161 0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.021 -6.840 -2.558 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.559 -7.283 -1.810 1.00 0.00 H new ATOM 380 N SER A 27 -12.773 -0.700 3.069 1.00 0.00 N ATOM 381 CA SER A 27 -12.580 0.510 3.912 1.00 0.00 C ATOM 382 C SER A 27 -11.257 1.184 3.529 1.00 0.00 C ATOM 383 O SER A 27 -11.119 2.389 3.610 1.00 0.00 O ATOM 384 CB SER A 27 -12.531 0.097 5.387 1.00 0.00 C ATOM 385 OG SER A 27 -13.505 -0.910 5.624 1.00 0.00 O ATOM 0 H SER A 27 -12.676 -1.592 3.554 1.00 0.00 H new ATOM 0 HA SER A 27 -13.405 1.204 3.755 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.538 -0.274 5.640 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.721 0.960 6.025 1.00 0.00 H new ATOM 0 HG SER A 27 -13.476 -1.178 6.566 1.00 0.00 H new ATOM 391 N ILE A 28 -10.263 0.410 3.165 1.00 0.00 N ATOM 392 CA ILE A 28 -8.933 0.998 2.838 1.00 0.00 C ATOM 393 C ILE A 28 -8.903 1.528 1.402 1.00 0.00 C ATOM 394 O ILE A 28 -8.395 2.600 1.135 1.00 0.00 O ATOM 395 CB ILE A 28 -7.874 -0.092 2.995 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.845 -0.571 4.449 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.509 0.466 2.612 1.00 0.00 C ATOM 398 CD1 ILE A 28 -7.025 -1.860 4.552 1.00 0.00 C ATOM 0 H ILE A 28 -10.319 -0.605 3.081 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.736 1.832 3.512 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.117 -0.931 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.411 0.199 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.860 -0.745 4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.754 -0.312 2.724 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.532 0.803 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.264 1.306 3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.007 -2.198 5.588 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.478 -2.630 3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.006 -1.671 4.214 1.00 0.00 H new ATOM 410 N ILE A 29 -9.421 0.774 0.475 1.00 0.00 N ATOM 411 CA ILE A 29 -9.391 1.234 -0.942 1.00 0.00 C ATOM 412 C ILE A 29 -10.290 2.461 -1.111 1.00 0.00 C ATOM 413 O ILE A 29 -9.992 3.345 -1.883 1.00 0.00 O ATOM 414 CB ILE A 29 -9.857 0.105 -1.871 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.953 -1.126 -1.684 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.777 0.572 -3.326 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.643 -2.362 -2.264 1.00 0.00 C ATOM 0 H ILE A 29 -9.860 -0.133 0.633 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.369 1.506 -1.206 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.886 -0.158 -1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.996 -0.965 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.742 -1.278 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.108 -0.231 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.418 1.443 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.748 0.837 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.001 -3.233 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.589 -2.526 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.831 -2.209 -3.327 1.00 0.00 H new ATOM 429 N GLY A 30 -11.390 2.533 -0.413 1.00 0.00 N ATOM 430 CA GLY A 30 -12.292 3.713 -0.570 1.00 0.00 C ATOM 431 C GLY A 30 -13.306 3.415 -1.676 1.00 0.00 C ATOM 432 O GLY A 30 -13.348 2.325 -2.212 1.00 0.00 O ATOM 0 H GLY A 30 -11.704 1.830 0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.807 3.922 0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.712 4.601 -0.820 1.00 0.00 H new ATOM 436 N LYS A 31 -14.131 4.367 -2.021 1.00 0.00 N ATOM 437 CA LYS A 31 -15.149 4.129 -3.091 1.00 0.00 C ATOM 438 C LYS A 31 -14.578 4.527 -4.453 1.00 0.00 C ATOM 439 O LYS A 31 -15.165 4.262 -5.484 1.00 0.00 O ATOM 440 CB LYS A 31 -16.387 4.970 -2.797 1.00 0.00 C ATOM 441 CG LYS A 31 -17.047 4.473 -1.508 1.00 0.00 C ATOM 442 CD LYS A 31 -18.438 5.099 -1.363 1.00 0.00 C ATOM 443 CE LYS A 31 -18.323 6.627 -1.372 1.00 0.00 C ATOM 444 NZ LYS A 31 -17.144 7.046 -0.562 1.00 0.00 N ATOM 0 H LYS A 31 -14.146 5.300 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.413 3.072 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.111 6.020 -2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.090 4.904 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.127 3.386 -1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.429 4.733 -0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.082 4.769 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.902 4.766 -0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.220 6.988 -2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.232 7.072 -0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.311 7.995 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.000 6.372 0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.297 7.064 -1.165 1.00 0.00 H new ATOM 458 N GLY A 32 -13.439 5.164 -4.470 1.00 0.00 N ATOM 459 CA GLY A 32 -12.826 5.589 -5.767 1.00 0.00 C ATOM 460 C GLY A 32 -11.307 5.463 -5.672 1.00 0.00 C ATOM 461 O GLY A 32 -10.582 6.079 -6.427 1.00 0.00 O ATOM 0 H GLY A 32 -12.902 5.411 -3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.204 4.970 -6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.104 6.618 -5.994 1.00 0.00 H new ATOM 465 N GLY A 33 -10.809 4.687 -4.752 1.00 0.00 N ATOM 466 CA GLY A 33 -9.331 4.560 -4.630 1.00 0.00 C ATOM 467 C GLY A 33 -8.770 5.866 -4.063 1.00 0.00 C ATOM 468 O GLY A 33 -7.611 5.942 -3.711 1.00 0.00 O ATOM 0 H GLY A 33 -11.354 4.140 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.076 3.725 -3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.888 4.350 -5.604 1.00 0.00 H new ATOM 472 N GLN A 34 -9.579 6.902 -4.011 1.00 0.00 N ATOM 473 CA GLN A 34 -9.108 8.234 -3.503 1.00 0.00 C ATOM 474 C GLN A 34 -8.101 8.052 -2.360 1.00 0.00 C ATOM 475 O GLN A 34 -7.171 8.821 -2.219 1.00 0.00 O ATOM 476 CB GLN A 34 -10.318 8.996 -2.960 1.00 0.00 C ATOM 477 CG GLN A 34 -10.955 8.199 -1.818 1.00 0.00 C ATOM 478 CD GLN A 34 -12.320 8.797 -1.477 1.00 0.00 C ATOM 479 OE1 GLN A 34 -12.495 9.382 -0.426 1.00 0.00 O ATOM 480 NE2 GLN A 34 -13.303 8.674 -2.326 1.00 0.00 N ATOM 0 H GLN A 34 -10.556 6.880 -4.302 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.628 8.777 -4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.012 9.980 -2.604 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.046 9.157 -3.755 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.066 7.154 -2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.308 8.220 -0.941 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.157 8.183 -3.208 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.218 9.069 -2.108 1.00 0.00 H new ATOM 489 N ARG A 35 -8.287 7.066 -1.529 1.00 0.00 N ATOM 490 CA ARG A 35 -7.340 6.879 -0.388 1.00 0.00 C ATOM 491 C ARG A 35 -6.034 6.253 -0.882 1.00 0.00 C ATOM 492 O ARG A 35 -4.973 6.538 -0.362 1.00 0.00 O ATOM 493 CB ARG A 35 -7.966 5.958 0.672 1.00 0.00 C ATOM 494 CG ARG A 35 -7.131 6.006 1.970 1.00 0.00 C ATOM 495 CD ARG A 35 -7.614 7.150 2.870 1.00 0.00 C ATOM 496 NE ARG A 35 -9.025 6.897 3.276 1.00 0.00 N ATOM 497 CZ ARG A 35 -9.551 7.567 4.265 1.00 0.00 C ATOM 498 NH1 ARG A 35 -8.845 8.467 4.894 1.00 0.00 N ATOM 499 NH2 ARG A 35 -10.784 7.339 4.622 1.00 0.00 N ATOM 0 H ARG A 35 -9.045 6.386 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.133 7.855 0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.991 6.269 0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.012 4.936 0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.214 5.057 2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.077 6.144 1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.978 7.227 3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.541 8.100 2.340 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.580 6.200 2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.881 8.647 4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.257 8.990 5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.336 6.638 4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.196 7.862 5.395 1.00 0.00 H new ATOM 513 N ILE A 36 -6.082 5.405 -1.875 1.00 0.00 N ATOM 514 CA ILE A 36 -4.816 4.785 -2.371 1.00 0.00 C ATOM 515 C ILE A 36 -4.051 5.808 -3.236 1.00 0.00 C ATOM 516 O ILE A 36 -2.843 5.755 -3.348 1.00 0.00 O ATOM 517 CB ILE A 36 -5.140 3.474 -3.145 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.207 2.332 -2.697 1.00 0.00 C ATOM 519 CG2 ILE A 36 -5.003 3.664 -4.665 1.00 0.00 C ATOM 520 CD1 ILE A 36 -2.731 2.732 -2.859 1.00 0.00 C ATOM 0 H ILE A 36 -6.932 5.117 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.172 4.513 -1.535 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.174 3.216 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.407 2.081 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.412 1.438 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.237 2.728 -5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.693 4.439 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.982 3.960 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.093 1.909 -2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.528 2.959 -3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.524 3.612 -2.250 1.00 0.00 H new ATOM 532 N LYS A 37 -4.742 6.741 -3.836 1.00 0.00 N ATOM 533 CA LYS A 37 -4.043 7.759 -4.673 1.00 0.00 C ATOM 534 C LYS A 37 -3.230 8.683 -3.763 1.00 0.00 C ATOM 535 O LYS A 37 -2.082 8.977 -4.031 1.00 0.00 O ATOM 536 CB LYS A 37 -5.076 8.585 -5.445 1.00 0.00 C ATOM 537 CG LYS A 37 -5.943 7.657 -6.299 1.00 0.00 C ATOM 538 CD LYS A 37 -6.905 8.493 -7.145 1.00 0.00 C ATOM 539 CE LYS A 37 -7.907 7.571 -7.842 1.00 0.00 C ATOM 540 NZ LYS A 37 -8.726 8.363 -8.804 1.00 0.00 N ATOM 0 H LYS A 37 -5.756 6.842 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.380 7.260 -5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.701 9.145 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.572 9.314 -6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.313 7.045 -6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.503 6.975 -5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.432 9.209 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.349 9.068 -7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.380 6.774 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.553 7.094 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.407 7.736 -9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.239 9.108 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.103 8.798 -9.514 1.00 0.00 H new ATOM 554 N GLN A 38 -3.815 9.147 -2.694 1.00 0.00 N ATOM 555 CA GLN A 38 -3.072 10.057 -1.775 1.00 0.00 C ATOM 556 C GLN A 38 -1.830 9.342 -1.234 1.00 0.00 C ATOM 557 O GLN A 38 -0.735 9.867 -1.269 1.00 0.00 O ATOM 558 CB GLN A 38 -3.979 10.462 -0.612 1.00 0.00 C ATOM 559 CG GLN A 38 -5.115 11.342 -1.133 1.00 0.00 C ATOM 560 CD GLN A 38 -6.041 11.723 0.023 1.00 0.00 C ATOM 561 OE1 GLN A 38 -5.527 11.981 1.195 1.00 0.00 O flip ATOM 562 NE2 GLN A 38 -7.243 11.785 -0.139 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.774 8.937 -2.416 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.764 10.949 -2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.386 9.574 -0.128 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.404 11.001 0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.709 12.240 -1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.676 10.811 -1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.645 11.584 -1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.850 12.039 0.640 1.00 0.00 H new ATOM 571 N ILE A 39 -1.992 8.149 -0.731 1.00 0.00 N ATOM 572 CA ILE A 39 -0.821 7.402 -0.187 1.00 0.00 C ATOM 573 C ILE A 39 0.236 7.239 -1.283 1.00 0.00 C ATOM 574 O ILE A 39 1.423 7.240 -1.019 1.00 0.00 O ATOM 575 CB ILE A 39 -1.279 6.022 0.289 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.332 6.188 1.388 1.00 0.00 C ATOM 577 CG2 ILE A 39 -0.082 5.247 0.846 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.996 4.838 1.665 1.00 0.00 C ATOM 0 H ILE A 39 -2.884 7.659 -0.673 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.392 7.954 0.649 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.707 5.473 -0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.868 6.570 2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.081 6.918 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.410 4.264 1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.670 5.129 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.348 5.795 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.746 4.955 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.474 4.474 0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.242 4.121 1.990 1.00 0.00 H new ATOM 590 N ARG A 40 -0.184 7.091 -2.508 1.00 0.00 N ATOM 591 CA ARG A 40 0.794 6.919 -3.623 1.00 0.00 C ATOM 592 C ARG A 40 1.695 8.153 -3.726 1.00 0.00 C ATOM 593 O ARG A 40 2.891 8.078 -3.527 1.00 0.00 O ATOM 594 CB ARG A 40 0.036 6.738 -4.944 1.00 0.00 C ATOM 595 CG ARG A 40 0.996 6.226 -6.023 1.00 0.00 C ATOM 596 CD ARG A 40 0.206 5.854 -7.283 1.00 0.00 C ATOM 597 NE ARG A 40 1.106 5.157 -8.245 1.00 0.00 N ATOM 598 CZ ARG A 40 0.600 4.494 -9.248 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.695 4.440 -9.408 1.00 0.00 N ATOM 600 NH2 ARG A 40 1.386 3.884 -10.092 1.00 0.00 N ATOM 0 H ARG A 40 -1.165 7.081 -2.788 1.00 0.00 H new ATOM 0 HA ARG A 40 1.408 6.040 -3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.785 6.034 -4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.404 7.685 -5.255 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.735 6.991 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.542 5.358 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.634 5.210 -7.022 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.211 6.751 -7.742 1.00 0.00 H new ATOM 0 HE ARG A 40 2.117 5.198 -8.119 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.311 4.916 -8.749 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.091 3.922 -10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.398 3.925 -9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.989 3.366 -10.876 1.00 0.00 H new ATOM 614 N HIS A 41 1.131 9.284 -4.049 1.00 0.00 N ATOM 615 CA HIS A 41 1.954 10.522 -4.182 1.00 0.00 C ATOM 616 C HIS A 41 2.570 10.896 -2.831 1.00 0.00 C ATOM 617 O HIS A 41 3.700 11.338 -2.757 1.00 0.00 O ATOM 618 CB HIS A 41 1.066 11.667 -4.671 1.00 0.00 C ATOM 619 CG HIS A 41 1.910 12.886 -4.919 1.00 0.00 C ATOM 620 ND1 HIS A 41 1.665 14.096 -4.288 1.00 0.00 N ATOM 621 CD2 HIS A 41 3.001 13.098 -5.726 1.00 0.00 C ATOM 622 CE1 HIS A 41 2.587 14.973 -4.722 1.00 0.00 C ATOM 623 NE2 HIS A 41 3.427 14.417 -5.600 1.00 0.00 N ATOM 0 H HIS A 41 0.134 9.406 -4.227 1.00 0.00 H new ATOM 0 HA HIS A 41 2.756 10.342 -4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.551 11.376 -5.586 1.00 0.00 H new ATOM 0 HB3 HIS A 41 0.298 11.888 -3.930 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.459 12.354 -6.362 1.00 0.00 H new ATOM 0 HE1 HIS A 41 2.642 16.002 -4.400 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.211 14.863 -6.075 1.00 0.00 H new ATOM 631 N GLU A 42 1.838 10.733 -1.764 1.00 0.00 N ATOM 632 CA GLU A 42 2.387 11.091 -0.424 1.00 0.00 C ATOM 633 C GLU A 42 3.592 10.207 -0.092 1.00 0.00 C ATOM 634 O GLU A 42 4.583 10.671 0.436 1.00 0.00 O ATOM 635 CB GLU A 42 1.305 10.910 0.642 1.00 0.00 C ATOM 636 CG GLU A 42 1.763 11.559 1.949 1.00 0.00 C ATOM 637 CD GLU A 42 1.732 13.081 1.802 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.707 13.595 1.388 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.734 13.707 2.106 1.00 0.00 O ATOM 0 H GLU A 42 0.885 10.368 -1.761 1.00 0.00 H new ATOM 0 HA GLU A 42 2.708 12.133 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.371 11.361 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.108 9.849 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.114 11.249 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.771 11.228 2.198 1.00 0.00 H new ATOM 646 N SER A 43 3.517 8.935 -0.378 1.00 0.00 N ATOM 647 CA SER A 43 4.662 8.030 -0.055 1.00 0.00 C ATOM 648 C SER A 43 5.676 8.022 -1.203 1.00 0.00 C ATOM 649 O SER A 43 6.827 7.681 -1.018 1.00 0.00 O ATOM 650 CB SER A 43 4.140 6.612 0.175 1.00 0.00 C ATOM 651 OG SER A 43 3.866 6.003 -1.081 1.00 0.00 O ATOM 0 H SER A 43 2.716 8.483 -0.820 1.00 0.00 H new ATOM 0 HA SER A 43 5.155 8.392 0.847 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.877 6.025 0.724 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.236 6.639 0.784 1.00 0.00 H new ATOM 0 HG SER A 43 2.970 6.263 -1.382 1.00 0.00 H new ATOM 657 N GLY A 44 5.260 8.367 -2.390 1.00 0.00 N ATOM 658 CA GLY A 44 6.210 8.347 -3.539 1.00 0.00 C ATOM 659 C GLY A 44 6.395 6.894 -3.972 1.00 0.00 C ATOM 660 O GLY A 44 7.130 6.589 -4.891 1.00 0.00 O ATOM 0 H GLY A 44 4.309 8.660 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.823 8.944 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.166 8.784 -3.251 1.00 0.00 H new ATOM 664 N ALA A 45 5.726 6.001 -3.302 1.00 0.00 N ATOM 665 CA ALA A 45 5.834 4.555 -3.631 1.00 0.00 C ATOM 666 C ALA A 45 4.887 4.205 -4.774 1.00 0.00 C ATOM 667 O ALA A 45 3.916 4.889 -5.032 1.00 0.00 O ATOM 668 CB ALA A 45 5.449 3.733 -2.400 1.00 0.00 C ATOM 0 H ALA A 45 5.098 6.216 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 45 6.858 4.332 -3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.526 2.671 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.122 3.973 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.425 3.968 -2.111 1.00 0.00 H new ATOM 674 N SER A 46 5.142 3.098 -5.418 1.00 0.00 N ATOM 675 CA SER A 46 4.249 2.618 -6.511 1.00 0.00 C ATOM 676 C SER A 46 3.498 1.414 -5.955 1.00 0.00 C ATOM 677 O SER A 46 4.065 0.617 -5.233 1.00 0.00 O ATOM 678 CB SER A 46 5.088 2.193 -7.718 1.00 0.00 C ATOM 679 OG SER A 46 4.236 1.640 -8.712 1.00 0.00 O ATOM 0 H SER A 46 5.944 2.497 -5.229 1.00 0.00 H new ATOM 0 HA SER A 46 3.563 3.400 -6.835 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.627 3.051 -8.121 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.836 1.460 -7.415 1.00 0.00 H new ATOM 0 HG SER A 46 4.771 1.369 -9.487 1.00 0.00 H new ATOM 685 N ILE A 47 2.230 1.269 -6.243 1.00 0.00 N ATOM 686 CA ILE A 47 1.455 0.116 -5.687 1.00 0.00 C ATOM 687 C ILE A 47 0.556 -0.477 -6.769 1.00 0.00 C ATOM 688 O ILE A 47 -0.082 0.234 -7.519 1.00 0.00 O ATOM 689 CB ILE A 47 0.583 0.606 -4.521 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.478 1.062 -3.365 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.331 -0.529 -4.034 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.629 1.759 -2.301 1.00 0.00 C ATOM 0 H ILE A 47 1.696 1.900 -6.840 1.00 0.00 H new ATOM 0 HA ILE A 47 2.150 -0.647 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.029 1.440 -4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.992 0.205 -2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.247 1.741 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.945 -0.172 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.975 -0.853 -4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.278 -1.368 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.268 2.082 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.136 2.626 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.123 1.066 -1.924 1.00 0.00 H new ATOM 704 N LYS A 48 0.498 -1.779 -6.846 1.00 0.00 N ATOM 705 CA LYS A 48 -0.354 -2.465 -7.858 1.00 0.00 C ATOM 706 C LYS A 48 -1.318 -3.385 -7.115 1.00 0.00 C ATOM 707 O LYS A 48 -0.907 -4.195 -6.308 1.00 0.00 O ATOM 708 CB LYS A 48 0.544 -3.302 -8.777 1.00 0.00 C ATOM 709 CG LYS A 48 -0.277 -3.861 -9.940 1.00 0.00 C ATOM 710 CD LYS A 48 0.521 -4.954 -10.653 1.00 0.00 C ATOM 711 CE LYS A 48 1.893 -4.410 -11.059 1.00 0.00 C ATOM 712 NZ LYS A 48 1.742 -3.025 -11.589 1.00 0.00 N ATOM 0 H LYS A 48 1.018 -2.409 -6.235 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.907 -1.740 -8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.360 -2.689 -9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.995 -4.119 -8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.219 -4.266 -9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.525 -3.063 -10.640 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.641 -5.817 -9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.021 -5.296 -11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.565 -4.411 -10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.342 -5.053 -11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.439 -2.864 -12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.783 -2.902 -11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.899 -2.341 -10.822 1.00 0.00 H new ATOM 726 N ILE A 49 -2.596 -3.274 -7.362 1.00 0.00 N ATOM 727 CA ILE A 49 -3.587 -4.139 -6.661 1.00 0.00 C ATOM 728 C ILE A 49 -3.943 -5.311 -7.577 1.00 0.00 C ATOM 729 O ILE A 49 -4.171 -5.138 -8.757 1.00 0.00 O ATOM 730 CB ILE A 49 -4.833 -3.302 -6.357 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.412 -2.055 -5.571 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.820 -4.120 -5.521 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.614 -1.131 -5.375 1.00 0.00 C ATOM 0 H ILE A 49 -2.999 -2.614 -8.027 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.178 -4.526 -5.728 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.314 -3.012 -7.291 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.004 -2.346 -4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.621 -1.528 -6.105 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.704 -3.518 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.113 -5.012 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.347 -4.413 -4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.306 -0.247 -4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.002 -0.828 -6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.392 -1.658 -4.822 1.00 0.00 H new ATOM 745 N ASP A 50 -3.996 -6.504 -7.046 1.00 0.00 N ATOM 746 CA ASP A 50 -4.341 -7.691 -7.885 1.00 0.00 C ATOM 747 C ASP A 50 -5.832 -7.979 -7.731 1.00 0.00 C ATOM 748 O ASP A 50 -6.404 -7.760 -6.682 1.00 0.00 O ATOM 749 CB ASP A 50 -3.541 -8.901 -7.396 1.00 0.00 C ATOM 750 CG ASP A 50 -2.048 -8.647 -7.616 1.00 0.00 C ATOM 751 OD1 ASP A 50 -1.679 -8.326 -8.733 1.00 0.00 O ATOM 752 OD2 ASP A 50 -1.298 -8.779 -6.663 1.00 0.00 O ATOM 0 H ASP A 50 -3.815 -6.709 -6.063 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.103 -7.494 -8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.739 -9.078 -6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.852 -9.797 -7.933 1.00 0.00 H new ATOM 757 N GLU A 51 -6.470 -8.486 -8.748 1.00 0.00 N ATOM 758 CA GLU A 51 -7.910 -8.800 -8.635 1.00 0.00 C ATOM 759 C GLU A 51 -8.092 -9.925 -7.598 1.00 0.00 C ATOM 760 O GLU A 51 -7.222 -10.762 -7.454 1.00 0.00 O ATOM 761 CB GLU A 51 -8.399 -9.264 -10.012 1.00 0.00 C ATOM 762 CG GLU A 51 -7.868 -10.670 -10.324 1.00 0.00 C ATOM 763 CD GLU A 51 -8.040 -10.962 -11.818 1.00 0.00 C ATOM 764 OE1 GLU A 51 -9.043 -10.543 -12.371 1.00 0.00 O ATOM 765 OE2 GLU A 51 -7.165 -11.600 -12.380 1.00 0.00 O ATOM 0 H GLU A 51 -6.050 -8.695 -9.654 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.481 -7.928 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.489 -9.267 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.065 -8.564 -10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.816 -10.743 -10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.405 -11.412 -9.733 1.00 0.00 H new ATOM 772 N PRO A 52 -9.194 -9.971 -6.885 1.00 0.00 N ATOM 773 CA PRO A 52 -9.395 -11.056 -5.884 1.00 0.00 C ATOM 774 C PRO A 52 -9.404 -12.442 -6.547 1.00 0.00 C ATOM 775 O PRO A 52 -9.928 -12.619 -7.629 1.00 0.00 O ATOM 776 CB PRO A 52 -10.770 -10.704 -5.278 1.00 0.00 C ATOM 777 CG PRO A 52 -11.404 -9.596 -6.140 1.00 0.00 C ATOM 778 CD PRO A 52 -10.299 -8.978 -7.012 1.00 0.00 C ATOM 0 HA PRO A 52 -8.599 -11.113 -5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.413 -11.584 -5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.657 -10.367 -4.248 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.197 -10.007 -6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.859 -8.835 -5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.619 -8.857 -8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.002 -7.993 -6.653 1.00 0.00 H new ATOM 853 N ASP A 58 -10.686 -12.305 -0.007 1.00 0.00 N ATOM 854 CA ASP A 58 -9.548 -11.424 0.405 1.00 0.00 C ATOM 855 C ASP A 58 -8.966 -10.721 -0.824 1.00 0.00 C ATOM 856 O ASP A 58 -9.049 -11.203 -1.937 1.00 0.00 O ATOM 857 CB ASP A 58 -8.462 -12.276 1.064 1.00 0.00 C ATOM 858 CG ASP A 58 -9.032 -12.950 2.315 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.716 -13.949 2.166 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.773 -12.456 3.401 1.00 0.00 O ATOM 0 HA ASP A 58 -9.908 -10.675 1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.101 -13.030 0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.608 -11.653 1.330 1.00 0.00 H new ATOM 865 N ARG A 59 -8.355 -9.585 -0.606 1.00 0.00 N ATOM 866 CA ARG A 59 -7.719 -8.808 -1.715 1.00 0.00 C ATOM 867 C ARG A 59 -6.225 -8.689 -1.412 1.00 0.00 C ATOM 868 O ARG A 59 -5.833 -8.493 -0.280 1.00 0.00 O ATOM 869 CB ARG A 59 -8.338 -7.406 -1.781 1.00 0.00 C ATOM 870 CG ARG A 59 -9.771 -7.485 -2.360 1.00 0.00 C ATOM 871 CD ARG A 59 -10.182 -6.151 -3.003 1.00 0.00 C ATOM 872 NE ARG A 59 -11.657 -6.141 -3.212 1.00 0.00 N ATOM 873 CZ ARG A 59 -12.273 -5.019 -3.466 1.00 0.00 C ATOM 874 NH1 ARG A 59 -11.598 -3.904 -3.538 1.00 0.00 N ATOM 875 NH2 ARG A 59 -13.565 -5.012 -3.647 1.00 0.00 N ATOM 0 H ARG A 59 -8.268 -9.153 0.314 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.877 -9.311 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.364 -6.964 -0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.721 -6.756 -2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.823 -8.281 -3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.473 -7.742 -1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.888 -5.319 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.667 -6.018 -3.955 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.186 -7.012 -3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.588 -3.909 -3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.081 -3.028 -3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.093 -5.883 -3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.047 -4.136 -3.846 1.00 0.00 H new ATOM 889 N ILE A 60 -5.386 -8.833 -2.409 1.00 0.00 N ATOM 890 CA ILE A 60 -3.905 -8.754 -2.173 1.00 0.00 C ATOM 891 C ILE A 60 -3.327 -7.476 -2.790 1.00 0.00 C ATOM 892 O ILE A 60 -3.804 -6.983 -3.792 1.00 0.00 O ATOM 893 CB ILE A 60 -3.251 -9.989 -2.792 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.647 -11.211 -1.958 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.727 -9.837 -2.774 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.280 -12.483 -2.704 1.00 0.00 C ATOM 0 H ILE A 60 -5.660 -9.002 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.704 -8.724 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.582 -10.106 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.140 -11.185 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.718 -11.193 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.268 -10.721 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.443 -8.955 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.384 -9.727 -1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.564 -13.350 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.808 -12.511 -3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.205 -12.502 -2.884 1.00 0.00 H new ATOM 908 N ILE A 61 -2.302 -6.938 -2.178 1.00 0.00 N ATOM 909 CA ILE A 61 -1.676 -5.682 -2.699 1.00 0.00 C ATOM 910 C ILE A 61 -0.158 -5.847 -2.799 1.00 0.00 C ATOM 911 O ILE A 61 0.462 -6.478 -1.967 1.00 0.00 O ATOM 912 CB ILE A 61 -1.988 -4.527 -1.743 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.484 -4.214 -1.815 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.185 -3.285 -2.151 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.855 -3.226 -0.710 1.00 0.00 C ATOM 0 H ILE A 61 -1.869 -7.316 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.080 -5.472 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.716 -4.809 -0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.731 -3.794 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.063 -5.131 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.410 -2.466 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.119 -3.511 -2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.454 -2.995 -3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.921 -3.004 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.623 -3.663 0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.286 -2.305 -0.839 1.00 0.00 H new ATOM 927 N THR A 62 0.439 -5.277 -3.818 1.00 0.00 N ATOM 928 CA THR A 62 1.922 -5.381 -4.001 1.00 0.00 C ATOM 929 C THR A 62 2.541 -3.985 -3.903 1.00 0.00 C ATOM 930 O THR A 62 2.180 -3.085 -4.636 1.00 0.00 O ATOM 931 CB THR A 62 2.218 -5.982 -5.380 1.00 0.00 C ATOM 932 OG1 THR A 62 1.614 -7.264 -5.474 1.00 0.00 O ATOM 933 CG2 THR A 62 3.730 -6.115 -5.565 1.00 0.00 C ATOM 0 H THR A 62 -0.043 -4.739 -4.538 1.00 0.00 H new ATOM 0 HA THR A 62 2.348 -6.020 -3.228 1.00 0.00 H new ATOM 0 HB THR A 62 1.815 -5.331 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.800 -7.650 -6.355 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.940 -6.542 -6.545 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.194 -5.131 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.135 -6.766 -4.791 1.00 0.00 H new ATOM 941 N ILE A 63 3.467 -3.792 -2.995 1.00 0.00 N ATOM 942 CA ILE A 63 4.116 -2.454 -2.826 1.00 0.00 C ATOM 943 C ILE A 63 5.504 -2.477 -3.469 1.00 0.00 C ATOM 944 O ILE A 63 6.269 -3.394 -3.239 1.00 0.00 O ATOM 945 CB ILE A 63 4.280 -2.168 -1.331 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.949 -2.429 -0.615 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.700 -0.705 -1.134 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.047 -1.979 0.842 1.00 0.00 C ATOM 0 H ILE A 63 3.804 -4.513 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 63 3.500 -1.688 -3.296 1.00 0.00 H new ATOM 0 HB ILE A 63 5.047 -2.820 -0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.144 -1.892 -1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.703 -3.490 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.817 -0.500 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.647 -0.526 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.935 -0.048 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.099 -2.167 1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.840 -2.535 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.273 -0.913 0.879 1.00 0.00 H new ATOM 960 N THR A 64 5.855 -1.483 -4.253 1.00 0.00 N ATOM 961 CA THR A 64 7.223 -1.469 -4.879 1.00 0.00 C ATOM 962 C THR A 64 7.866 -0.099 -4.651 1.00 0.00 C ATOM 963 O THR A 64 7.268 0.925 -4.911 1.00 0.00 O ATOM 964 CB THR A 64 7.107 -1.741 -6.381 1.00 0.00 C ATOM 965 OG1 THR A 64 6.239 -2.845 -6.595 1.00 0.00 O ATOM 966 CG2 THR A 64 8.491 -2.057 -6.950 1.00 0.00 C ATOM 0 H THR A 64 5.262 -0.687 -4.486 1.00 0.00 H new ATOM 0 HA THR A 64 7.841 -2.243 -4.424 1.00 0.00 H new ATOM 0 HB THR A 64 6.703 -0.861 -6.882 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.162 -3.019 -7.556 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.409 -2.251 -8.020 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.155 -1.208 -6.785 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.897 -2.937 -6.452 1.00 0.00 H new ATOM 974 N GLY A 65 9.076 -0.071 -4.155 1.00 0.00 N ATOM 975 CA GLY A 65 9.764 1.225 -3.891 1.00 0.00 C ATOM 976 C GLY A 65 10.957 0.967 -2.960 1.00 0.00 C ATOM 977 O GLY A 65 11.275 -0.163 -2.648 1.00 0.00 O ATOM 0 H GLY A 65 9.621 -0.900 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.104 1.670 -4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.073 1.933 -3.433 1.00 0.00 H new ATOM 981 N THR A 66 11.617 2.001 -2.514 1.00 0.00 N ATOM 982 CA THR A 66 12.786 1.802 -1.604 1.00 0.00 C ATOM 983 C THR A 66 12.280 1.357 -0.221 1.00 0.00 C ATOM 984 O THR A 66 11.133 1.548 0.133 1.00 0.00 O ATOM 985 CB THR A 66 13.595 3.120 -1.506 1.00 0.00 C ATOM 986 OG1 THR A 66 12.930 4.128 -2.253 1.00 0.00 O ATOM 987 CG2 THR A 66 15.008 2.928 -2.075 1.00 0.00 C ATOM 0 H THR A 66 11.400 2.972 -2.738 1.00 0.00 H new ATOM 0 HA THR A 66 13.443 1.027 -1.998 1.00 0.00 H new ATOM 0 HB THR A 66 13.671 3.410 -0.458 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.435 4.966 -2.194 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.562 3.864 -1.998 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.525 2.153 -1.510 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.942 2.631 -3.122 1.00 0.00 H new ATOM 995 N GLN A 67 13.146 0.750 0.550 1.00 0.00 N ATOM 996 CA GLN A 67 12.763 0.259 1.907 1.00 0.00 C ATOM 997 C GLN A 67 11.997 1.343 2.672 1.00 0.00 C ATOM 998 O GLN A 67 10.971 1.085 3.270 1.00 0.00 O ATOM 999 CB GLN A 67 14.037 -0.110 2.685 1.00 0.00 C ATOM 1000 CG GLN A 67 13.704 -1.113 3.795 1.00 0.00 C ATOM 1001 CD GLN A 67 12.710 -0.486 4.774 1.00 0.00 C ATOM 1002 OE1 GLN A 67 11.452 -0.826 4.715 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 13.083 0.321 5.602 1.00 0.00 N flip ATOM 0 H GLN A 67 14.117 0.572 0.292 1.00 0.00 H new ATOM 0 HA GLN A 67 12.121 -0.615 1.801 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.775 -0.538 2.007 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.482 0.787 3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.281 -2.021 3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.613 -1.403 4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.067 0.587 5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.412 0.733 6.251 1.00 0.00 H new ATOM 1012 N ASP A 68 12.491 2.547 2.669 1.00 0.00 N ATOM 1013 CA ASP A 68 11.795 3.634 3.410 1.00 0.00 C ATOM 1014 C ASP A 68 10.469 3.960 2.725 1.00 0.00 C ATOM 1015 O ASP A 68 9.455 4.120 3.374 1.00 0.00 O ATOM 1016 CB ASP A 68 12.680 4.882 3.446 1.00 0.00 C ATOM 1017 CG ASP A 68 12.003 5.965 4.288 1.00 0.00 C ATOM 1018 OD1 ASP A 68 11.511 5.636 5.355 1.00 0.00 O ATOM 1019 OD2 ASP A 68 11.988 7.104 3.852 1.00 0.00 O ATOM 0 H ASP A 68 13.345 2.826 2.187 1.00 0.00 H new ATOM 0 HA ASP A 68 11.598 3.304 4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.655 4.637 3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.852 5.248 2.434 1.00 0.00 H new ATOM 1024 N GLN A 69 10.457 4.069 1.426 1.00 0.00 N ATOM 1025 CA GLN A 69 9.182 4.392 0.733 1.00 0.00 C ATOM 1026 C GLN A 69 8.149 3.306 1.043 1.00 0.00 C ATOM 1027 O GLN A 69 6.975 3.572 1.202 1.00 0.00 O ATOM 1028 CB GLN A 69 9.420 4.460 -0.777 1.00 0.00 C ATOM 1029 CG GLN A 69 10.627 5.355 -1.062 1.00 0.00 C ATOM 1030 CD GLN A 69 10.356 6.761 -0.527 1.00 0.00 C ATOM 1031 OE1 GLN A 69 11.181 7.332 0.157 1.00 0.00 O ATOM 1032 NE2 GLN A 69 9.225 7.346 -0.811 1.00 0.00 N ATOM 0 H GLN A 69 11.268 3.949 0.819 1.00 0.00 H new ATOM 0 HA GLN A 69 8.812 5.357 1.081 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.593 3.460 -1.174 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.536 4.853 -1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.519 4.941 -0.592 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.820 5.393 -2.134 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.533 6.866 -1.386 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.033 8.284 -0.458 1.00 0.00 H new ATOM 1041 N ILE A 70 8.590 2.076 1.134 1.00 0.00 N ATOM 1042 CA ILE A 70 7.659 0.954 1.439 1.00 0.00 C ATOM 1043 C ILE A 70 7.197 1.034 2.898 1.00 0.00 C ATOM 1044 O ILE A 70 6.026 0.893 3.187 1.00 0.00 O ATOM 1045 CB ILE A 70 8.381 -0.384 1.209 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.605 -0.590 -0.292 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.532 -1.540 1.760 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.533 -1.787 -0.516 1.00 0.00 C ATOM 0 H ILE A 70 9.564 1.802 1.008 1.00 0.00 H new ATOM 0 HA ILE A 70 6.790 1.025 0.784 1.00 0.00 H new ATOM 0 HB ILE A 70 9.340 -0.366 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.651 -0.758 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.041 0.307 -0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.051 -2.484 1.593 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.373 -1.397 2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.569 -1.560 1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.690 -1.931 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.491 -1.601 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.080 -2.683 -0.092 1.00 0.00 H new ATOM 1060 N GLN A 71 8.093 1.262 3.824 1.00 0.00 N ATOM 1061 CA GLN A 71 7.689 1.354 5.255 1.00 0.00 C ATOM 1062 C GLN A 71 6.693 2.501 5.427 1.00 0.00 C ATOM 1063 O GLN A 71 5.696 2.372 6.111 1.00 0.00 O ATOM 1064 CB GLN A 71 8.930 1.625 6.109 1.00 0.00 C ATOM 1065 CG GLN A 71 8.550 1.608 7.590 1.00 0.00 C ATOM 1066 CD GLN A 71 9.810 1.777 8.442 1.00 0.00 C ATOM 1067 OE1 GLN A 71 10.930 1.242 8.038 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 9.774 2.400 9.484 1.00 0.00 N flip ATOM 0 H GLN A 71 9.090 1.388 3.648 1.00 0.00 H new ATOM 0 HA GLN A 71 7.224 0.419 5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.692 0.871 5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.361 2.591 5.845 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.843 2.410 7.804 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.053 0.670 7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.898 2.818 9.799 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.620 2.506 10.045 1.00 0.00 H new ATOM 1077 N ASN A 72 6.948 3.620 4.805 1.00 0.00 N ATOM 1078 CA ASN A 72 6.008 4.768 4.928 1.00 0.00 C ATOM 1079 C ASN A 72 4.658 4.358 4.343 1.00 0.00 C ATOM 1080 O ASN A 72 3.612 4.727 4.841 1.00 0.00 O ATOM 1081 CB ASN A 72 6.563 5.967 4.155 1.00 0.00 C ATOM 1082 CG ASN A 72 7.849 6.457 4.826 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.582 5.678 5.401 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.154 7.724 4.776 1.00 0.00 N ATOM 0 H ASN A 72 7.765 3.788 4.218 1.00 0.00 H new ATOM 0 HA ASN A 72 5.889 5.045 5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.764 5.685 3.121 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.826 6.769 4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.008 8.061 5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.538 8.378 4.293 1.00 0.00 H new ATOM 1091 N ALA A 73 4.678 3.595 3.286 1.00 0.00 N ATOM 1092 CA ALA A 73 3.406 3.152 2.656 1.00 0.00 C ATOM 1093 C ALA A 73 2.744 2.090 3.535 1.00 0.00 C ATOM 1094 O ALA A 73 1.559 2.139 3.801 1.00 0.00 O ATOM 1095 CB ALA A 73 3.707 2.559 1.279 1.00 0.00 C ATOM 0 H ALA A 73 5.526 3.258 2.830 1.00 0.00 H new ATOM 0 HA ALA A 73 2.734 4.003 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.778 2.232 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.181 3.315 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.377 1.706 1.389 1.00 0.00 H new ATOM 1101 N GLN A 74 3.500 1.124 3.985 1.00 0.00 N ATOM 1102 CA GLN A 74 2.925 0.048 4.840 1.00 0.00 C ATOM 1103 C GLN A 74 2.320 0.652 6.107 1.00 0.00 C ATOM 1104 O GLN A 74 1.263 0.247 6.551 1.00 0.00 O ATOM 1105 CB GLN A 74 4.031 -0.935 5.229 1.00 0.00 C ATOM 1106 CG GLN A 74 4.436 -1.760 4.006 1.00 0.00 C ATOM 1107 CD GLN A 74 5.640 -2.636 4.358 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.443 -2.277 5.196 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.801 -3.778 3.748 1.00 0.00 N ATOM 0 H GLN A 74 4.498 1.035 3.795 1.00 0.00 H new ATOM 0 HA GLN A 74 2.145 -0.471 4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.894 -0.393 5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.683 -1.593 6.026 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.602 -2.383 3.682 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.683 -1.100 3.175 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.127 -4.080 3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.601 -4.369 3.975 1.00 0.00 H new ATOM 1118 N TYR A 75 2.976 1.609 6.704 1.00 0.00 N ATOM 1119 CA TYR A 75 2.427 2.217 7.948 1.00 0.00 C ATOM 1120 C TYR A 75 1.140 2.981 7.625 1.00 0.00 C ATOM 1121 O TYR A 75 0.207 2.988 8.404 1.00 0.00 O ATOM 1122 CB TYR A 75 3.457 3.166 8.563 1.00 0.00 C ATOM 1123 CG TYR A 75 2.989 3.604 9.930 1.00 0.00 C ATOM 1124 CD1 TYR A 75 3.334 2.854 11.062 1.00 0.00 C ATOM 1125 CD2 TYR A 75 2.212 4.760 10.067 1.00 0.00 C ATOM 1126 CE1 TYR A 75 2.901 3.261 12.330 1.00 0.00 C ATOM 1127 CE2 TYR A 75 1.780 5.167 11.334 1.00 0.00 C ATOM 1128 CZ TYR A 75 2.124 4.418 12.466 1.00 0.00 C ATOM 1129 OH TYR A 75 1.697 4.819 13.715 1.00 0.00 O ATOM 0 H TYR A 75 3.865 1.995 6.385 1.00 0.00 H new ATOM 0 HA TYR A 75 2.203 1.426 8.664 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.424 2.669 8.641 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.596 4.035 7.919 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.934 1.962 10.957 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.946 5.338 9.194 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.166 2.683 13.203 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.181 6.059 11.439 1.00 0.00 H new ATOM 0 HH TYR A 75 1.170 5.641 13.632 1.00 0.00 H new ATOM 1139 N LEU A 76 1.070 3.618 6.488 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.175 4.366 6.147 1.00 0.00 C ATOM 1141 C LEU A 76 -1.283 3.363 5.819 1.00 0.00 C ATOM 1142 O LEU A 76 -2.448 3.706 5.776 1.00 0.00 O ATOM 1143 CB LEU A 76 0.066 5.291 4.947 1.00 0.00 C ATOM 1144 CG LEU A 76 1.091 6.383 5.309 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.712 6.949 4.029 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.404 7.523 6.071 1.00 0.00 C ATOM 0 H LEU A 76 1.811 3.654 5.788 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.471 4.980 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.428 4.710 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.873 5.752 4.640 1.00 0.00 H new ATOM 0 HG LEU A 76 1.865 5.941 5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.437 7.721 4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.213 6.149 3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.929 7.380 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.139 8.288 6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.376 7.959 5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.040 7.133 6.987 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.936 2.121 5.609 1.00 0.00 N ATOM 1159 CA LEU A 77 -1.978 1.095 5.311 1.00 0.00 C ATOM 1160 C LEU A 77 -2.529 0.563 6.639 1.00 0.00 C ATOM 1161 O LEU A 77 -3.722 0.422 6.820 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.360 -0.060 4.496 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.342 0.294 2.993 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.346 -0.617 2.266 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.738 0.102 2.368 1.00 0.00 C ATOM 0 H LEU A 77 0.022 1.773 5.631 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.783 1.539 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.345 -0.256 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.933 -0.973 4.655 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.047 1.338 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.333 -0.368 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.650 -0.474 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.646 -1.657 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.701 0.357 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.047 -0.937 2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.455 0.750 2.872 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.658 0.268 7.568 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.107 -0.252 8.890 1.00 0.00 C ATOM 1179 C GLN A 78 -2.978 0.795 9.592 1.00 0.00 C ATOM 1180 O GLN A 78 -3.955 0.471 10.239 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.877 -0.550 9.755 1.00 0.00 C ATOM 1182 CG GLN A 78 -1.318 -1.211 11.062 1.00 0.00 C ATOM 1183 CD GLN A 78 -0.085 -1.648 11.854 1.00 0.00 C ATOM 1184 OE1 GLN A 78 0.085 -1.269 12.995 1.00 0.00 O ATOM 1185 NE2 GLN A 78 0.789 -2.439 11.291 1.00 0.00 N ATOM 0 H GLN A 78 -0.648 0.366 7.465 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.688 -1.162 8.743 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.192 -1.205 9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.336 0.372 9.966 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.914 -0.514 11.651 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.952 -2.072 10.851 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.646 -2.757 10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.615 -2.738 11.810 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.633 2.053 9.475 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.450 3.109 10.142 1.00 0.00 C ATOM 1196 C ASN A 79 -4.699 3.391 9.306 1.00 0.00 C ATOM 1197 O ASN A 79 -5.695 3.857 9.821 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.628 4.387 10.330 1.00 0.00 C ATOM 1199 CG ASN A 79 -3.440 5.400 11.138 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -3.708 5.190 12.304 1.00 0.00 O ATOM 1201 ND2 ASN A 79 -3.845 6.499 10.564 1.00 0.00 N ATOM 0 H ASN A 79 -1.827 2.391 8.950 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.753 2.756 11.128 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.694 4.159 10.845 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.363 4.808 9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.387 7.182 11.094 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.620 6.676 9.585 1.00 0.00 H new ATOM 1208 N SER A 80 -4.673 3.121 8.029 1.00 0.00 N ATOM 1209 CA SER A 80 -5.895 3.396 7.222 1.00 0.00 C ATOM 1210 C SER A 80 -7.001 2.486 7.752 1.00 0.00 C ATOM 1211 O SER A 80 -8.152 2.865 7.838 1.00 0.00 O ATOM 1212 CB SER A 80 -5.629 3.106 5.744 1.00 0.00 C ATOM 1213 OG SER A 80 -5.312 1.730 5.584 1.00 0.00 O ATOM 0 H SER A 80 -3.880 2.732 7.520 1.00 0.00 H new ATOM 0 HA SER A 80 -6.186 4.443 7.306 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.506 3.360 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.807 3.725 5.383 1.00 0.00 H new ATOM 0 HG SER A 80 -4.733 1.440 6.319 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.641 1.276 8.095 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.633 0.288 8.618 1.00 0.00 C ATOM 1221 C VAL A 81 -8.617 0.982 9.564 1.00 0.00 C ATOM 1222 O VAL A 81 -9.813 0.782 9.480 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.899 -0.817 9.382 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.892 -1.920 9.754 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.790 -1.405 8.505 1.00 0.00 C ATOM 0 H VAL A 81 -5.685 0.925 8.034 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.181 -0.141 7.779 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.458 -0.399 10.287 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.373 -2.709 10.298 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.680 -1.504 10.382 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.332 -2.334 8.847 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.271 -2.191 9.053 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.227 -1.823 7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.082 -0.620 8.239 1.00 0.00 H new