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 75 TYR OH : rot 180:sc= 0.409 USER MOD Set 1.2: A 79 ASN :FLIP amide:sc= -0.977 F(o=-2.1!,f=-0.57) USER MOD Set 2.1: A 66 THR OG1 : rot -122:sc= -0.725 USER MOD Set 2.2: A 69 GLN : amide:sc= -0.783 K(o=-1.5,f=-3.1) 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=-0.00702 X(o=-0.007,f=-0.47) 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 -27:sc= 0.299 USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.112 (180deg=-0.781) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 HIS : no HD1:sc=-0.00681 X(o=-0.0068,f=-0.012) USER MOD Single : A 43 SER OG : rot 126:sc= 0.047 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= -0.383 F(o=-0.91,f=-0.38) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.288 K(o=-0.29,f=-3.3!) USER MOD Single : A 74 GLN : amide:sc= -0.129 K(o=-0.13,f=-2.4!) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 80 SER OG : rot 78:sc= 0.82 USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 13 15.803 -2.133 -5.566 1.00 0.00 N ATOM 148 CA ILE A 13 14.322 -2.020 -5.436 1.00 0.00 C ATOM 149 C ILE A 13 13.783 -3.275 -4.742 1.00 0.00 C ATOM 150 O ILE A 13 14.283 -4.364 -4.948 1.00 0.00 O ATOM 151 CB ILE A 13 13.704 -1.899 -6.836 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.455 -0.828 -7.639 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.225 -1.514 -6.732 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.532 0.477 -6.839 1.00 0.00 C ATOM 0 HA ILE A 13 14.064 -1.140 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 13 13.785 -2.861 -7.341 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.460 -1.178 -7.875 1.00 0.00 H new ATOM 0 HG13 ILE A 13 13.948 -0.652 -8.588 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.799 -1.432 -7.732 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.688 -2.279 -6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.133 -0.557 -6.219 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.067 1.229 -7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.524 0.833 -6.626 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.060 0.299 -5.902 1.00 0.00 H new ATOM 166 N ILE A 14 12.788 -3.130 -3.899 1.00 0.00 N ATOM 167 CA ILE A 14 12.228 -4.303 -3.156 1.00 0.00 C ATOM 168 C ILE A 14 10.719 -4.402 -3.401 1.00 0.00 C ATOM 169 O ILE A 14 10.050 -3.406 -3.588 1.00 0.00 O ATOM 170 CB ILE A 14 12.478 -4.076 -1.661 1.00 0.00 C ATOM 171 CG1 ILE A 14 13.985 -3.945 -1.421 1.00 0.00 C ATOM 172 CG2 ILE A 14 11.936 -5.257 -0.850 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.242 -3.521 0.027 1.00 0.00 C ATOM 0 H ILE A 14 12.336 -2.239 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 14 12.703 -5.223 -3.495 1.00 0.00 H new ATOM 0 HB ILE A 14 11.968 -3.166 -1.345 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.479 -4.895 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.410 -3.211 -2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.119 -5.085 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.864 -5.355 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.438 -6.173 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.315 -3.429 0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.762 -2.561 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.833 -4.271 0.704 1.00 0.00 H new ATOM 185 N THR A 15 10.173 -5.595 -3.372 1.00 0.00 N ATOM 186 CA THR A 15 8.700 -5.776 -3.568 1.00 0.00 C ATOM 187 C THR A 15 8.159 -6.625 -2.430 1.00 0.00 C ATOM 188 O THR A 15 8.801 -7.539 -1.951 1.00 0.00 O ATOM 189 CB THR A 15 8.403 -6.478 -4.891 1.00 0.00 C ATOM 190 OG1 THR A 15 6.996 -6.563 -5.067 1.00 0.00 O ATOM 191 CG2 THR A 15 8.994 -7.886 -4.891 1.00 0.00 C ATOM 0 H THR A 15 10.692 -6.460 -3.219 1.00 0.00 H new ATOM 0 HA THR A 15 8.226 -4.795 -3.583 1.00 0.00 H new ATOM 0 HB THR A 15 8.851 -5.906 -5.704 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.799 -7.011 -5.916 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.774 -8.373 -5.841 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.074 -7.827 -4.755 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.557 -8.464 -4.077 1.00 0.00 H new ATOM 199 N THR A 16 6.981 -6.320 -1.997 1.00 0.00 N ATOM 200 CA THR A 16 6.357 -7.090 -0.878 1.00 0.00 C ATOM 201 C THR A 16 4.850 -7.186 -1.127 1.00 0.00 C ATOM 202 O THR A 16 4.256 -6.258 -1.639 1.00 0.00 O ATOM 203 CB THR A 16 6.618 -6.356 0.441 1.00 0.00 C ATOM 204 OG1 THR A 16 5.952 -7.029 1.499 1.00 0.00 O ATOM 205 CG2 THR A 16 6.099 -4.920 0.340 1.00 0.00 C ATOM 0 H THR A 16 6.408 -5.562 -2.368 1.00 0.00 H new ATOM 0 HA THR A 16 6.784 -8.092 -0.824 1.00 0.00 H new ATOM 0 HB THR A 16 7.690 -6.340 0.640 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.121 -6.560 2.343 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.285 -4.399 1.279 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.614 -4.403 -0.470 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.028 -4.934 0.139 1.00 0.00 H new ATOM 213 N GLN A 17 4.222 -8.291 -0.776 1.00 0.00 N ATOM 214 CA GLN A 17 2.740 -8.419 -1.010 1.00 0.00 C ATOM 215 C GLN A 17 2.001 -8.386 0.328 1.00 0.00 C ATOM 216 O GLN A 17 2.493 -8.860 1.333 1.00 0.00 O ATOM 217 CB GLN A 17 2.431 -9.730 -1.738 1.00 0.00 C ATOM 218 CG GLN A 17 3.025 -9.692 -3.146 1.00 0.00 C ATOM 219 CD GLN A 17 2.977 -11.095 -3.756 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.360 -12.058 -3.122 1.00 0.00 O ATOM 221 NE2 GLN A 17 2.518 -11.253 -4.967 1.00 0.00 N ATOM 0 H GLN A 17 4.665 -9.101 -0.343 1.00 0.00 H new ATOM 0 HA GLN A 17 2.407 -7.585 -1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.844 -10.572 -1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.353 -9.881 -1.792 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.467 -8.993 -3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.054 -9.335 -3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.196 -10.445 -5.500 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.481 -12.185 -5.381 1.00 0.00 H new ATOM 230 N VAL A 18 0.823 -7.809 0.341 1.00 0.00 N ATOM 231 CA VAL A 18 0.022 -7.706 1.600 1.00 0.00 C ATOM 232 C VAL A 18 -1.373 -8.289 1.363 1.00 0.00 C ATOM 233 O VAL A 18 -1.910 -8.217 0.277 1.00 0.00 O ATOM 234 CB VAL A 18 -0.123 -6.221 1.961 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.529 -6.071 3.429 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.212 -5.512 1.728 1.00 0.00 C ATOM 0 H VAL A 18 0.377 -7.400 -0.480 1.00 0.00 H new ATOM 0 HA VAL A 18 0.518 -8.252 2.403 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.894 -5.775 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.629 -5.013 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.482 -6.573 3.596 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.234 -6.520 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.113 -4.457 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.980 -5.966 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.496 -5.607 0.680 1.00 0.00 H new ATOM 246 N THR A 19 -1.960 -8.848 2.385 1.00 0.00 N ATOM 247 CA THR A 19 -3.333 -9.432 2.274 1.00 0.00 C ATOM 248 C THR A 19 -4.202 -8.769 3.351 1.00 0.00 C ATOM 249 O THR A 19 -3.822 -8.709 4.504 1.00 0.00 O ATOM 250 CB THR A 19 -3.261 -10.947 2.512 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.115 -11.469 1.856 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.517 -11.622 1.956 1.00 0.00 C ATOM 0 H THR A 19 -1.540 -8.928 3.311 1.00 0.00 H new ATOM 0 HA THR A 19 -3.756 -9.257 1.285 1.00 0.00 H new ATOM 0 HB THR A 19 -3.195 -11.142 3.582 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.064 -12.436 2.007 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.459 -12.697 2.128 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.398 -11.221 2.457 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.590 -11.430 0.886 1.00 0.00 H new ATOM 260 N ILE A 20 -5.357 -8.263 2.984 1.00 0.00 N ATOM 261 CA ILE A 20 -6.259 -7.586 3.982 1.00 0.00 C ATOM 262 C ILE A 20 -7.651 -8.250 3.902 1.00 0.00 C ATOM 263 O ILE A 20 -8.100 -8.572 2.819 1.00 0.00 O ATOM 264 CB ILE A 20 -6.391 -6.059 3.630 1.00 0.00 C ATOM 265 CG1 ILE A 20 -5.659 -5.718 2.321 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.780 -5.197 4.743 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.464 -6.232 1.139 1.00 0.00 C ATOM 0 H ILE A 20 -5.719 -8.289 2.031 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.846 -7.684 4.986 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.455 -5.851 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.522 -4.640 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.666 -6.167 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.880 -4.143 4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.301 -5.391 5.681 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.725 -5.444 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.944 -5.990 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.578 -7.313 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.448 -5.762 1.137 1.00 0.00 H new ATOM 279 N PRO A 21 -8.364 -8.437 4.990 1.00 0.00 N ATOM 280 CA PRO A 21 -9.717 -9.040 4.881 1.00 0.00 C ATOM 281 C PRO A 21 -10.595 -8.229 3.911 1.00 0.00 C ATOM 282 O PRO A 21 -10.442 -7.030 3.788 1.00 0.00 O ATOM 283 CB PRO A 21 -10.240 -8.983 6.329 1.00 0.00 C ATOM 284 CG PRO A 21 -9.118 -8.429 7.234 1.00 0.00 C ATOM 285 CD PRO A 21 -7.899 -8.082 6.358 1.00 0.00 C ATOM 0 HA PRO A 21 -9.718 -10.054 4.481 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.123 -8.347 6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.540 -9.976 6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.465 -7.543 7.766 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.843 -9.166 7.988 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.633 -7.028 6.434 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.017 -8.654 6.647 1.00 0.00 H new ATOM 293 N LYS A 22 -11.478 -8.865 3.196 1.00 0.00 N ATOM 294 CA LYS A 22 -12.311 -8.112 2.212 1.00 0.00 C ATOM 295 C LYS A 22 -12.997 -6.904 2.874 1.00 0.00 C ATOM 296 O LYS A 22 -13.110 -5.852 2.279 1.00 0.00 O ATOM 297 CB LYS A 22 -13.373 -9.039 1.610 1.00 0.00 C ATOM 298 CG LYS A 22 -14.403 -9.418 2.679 1.00 0.00 C ATOM 299 CD LYS A 22 -15.294 -10.548 2.162 1.00 0.00 C ATOM 300 CE LYS A 22 -15.976 -10.124 0.857 1.00 0.00 C ATOM 301 NZ LYS A 22 -17.157 -11.000 0.611 1.00 0.00 N ATOM 0 H LYS A 22 -11.661 -9.867 3.247 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.654 -7.745 1.424 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.869 -8.544 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.901 -9.938 1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.895 -9.731 3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.012 -8.551 2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.697 -11.445 1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.046 -10.800 2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.289 -9.082 0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.275 -10.198 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.622 -10.715 -0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.846 -11.989 0.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.828 -10.908 1.400 1.00 0.00 H new ATOM 315 N ASP A 23 -13.487 -7.046 4.077 1.00 0.00 N ATOM 316 CA ASP A 23 -14.196 -5.903 4.731 1.00 0.00 C ATOM 317 C ASP A 23 -13.261 -4.702 4.929 1.00 0.00 C ATOM 318 O ASP A 23 -13.628 -3.568 4.676 1.00 0.00 O ATOM 319 CB ASP A 23 -14.765 -6.345 6.079 1.00 0.00 C ATOM 320 CG ASP A 23 -15.652 -5.238 6.650 1.00 0.00 C ATOM 321 OD1 ASP A 23 -15.554 -4.120 6.170 1.00 0.00 O ATOM 322 OD2 ASP A 23 -16.415 -5.525 7.558 1.00 0.00 O ATOM 0 H ASP A 23 -13.429 -7.898 4.634 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.009 -5.593 4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.343 -7.262 5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.954 -6.568 6.772 1.00 0.00 H new ATOM 327 N LEU A 24 -12.049 -4.931 5.350 1.00 0.00 N ATOM 328 CA LEU A 24 -11.086 -3.817 5.539 1.00 0.00 C ATOM 329 C LEU A 24 -10.511 -3.438 4.174 1.00 0.00 C ATOM 330 O LEU A 24 -10.194 -2.295 3.911 1.00 0.00 O ATOM 331 CB LEU A 24 -9.949 -4.286 6.469 1.00 0.00 C ATOM 332 CG LEU A 24 -10.342 -4.070 7.940 1.00 0.00 C ATOM 333 CD1 LEU A 24 -11.584 -4.900 8.278 1.00 0.00 C ATOM 334 CD2 LEU A 24 -9.181 -4.493 8.849 1.00 0.00 C ATOM 0 H LEU A 24 -11.682 -5.856 5.573 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.583 -2.955 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.737 -5.341 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.035 -3.735 6.245 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.564 -3.015 8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.855 -4.741 9.322 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.411 -4.594 7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.371 -5.957 8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.460 -4.340 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.956 -5.547 8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.301 -3.894 8.617 1.00 0.00 H new ATOM 346 N ALA A 25 -10.384 -4.401 3.304 1.00 0.00 N ATOM 347 CA ALA A 25 -9.841 -4.130 1.948 1.00 0.00 C ATOM 348 C ALA A 25 -10.643 -3.008 1.299 1.00 0.00 C ATOM 349 O ALA A 25 -10.108 -2.127 0.661 1.00 0.00 O ATOM 350 CB ALA A 25 -9.997 -5.385 1.097 1.00 0.00 C ATOM 0 H ALA A 25 -10.637 -5.374 3.479 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.792 -3.845 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.602 -5.199 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.448 -6.207 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.052 -5.648 1.026 1.00 0.00 H new ATOM 356 N ARG A 26 -11.940 -3.054 1.455 1.00 0.00 N ATOM 357 CA ARG A 26 -12.802 -2.011 0.842 1.00 0.00 C ATOM 358 C ARG A 26 -12.659 -0.718 1.633 1.00 0.00 C ATOM 359 O ARG A 26 -12.726 0.363 1.082 1.00 0.00 O ATOM 360 CB ARG A 26 -14.261 -2.470 0.839 1.00 0.00 C ATOM 361 CG ARG A 26 -14.424 -3.641 -0.130 1.00 0.00 C ATOM 362 CD ARG A 26 -15.893 -4.067 -0.176 1.00 0.00 C ATOM 363 NE ARG A 26 -16.068 -5.136 -1.200 1.00 0.00 N ATOM 364 CZ ARG A 26 -17.155 -5.857 -1.211 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.089 -5.643 -0.324 1.00 0.00 N ATOM 366 NH2 ARG A 26 -17.308 -6.793 -2.107 1.00 0.00 N ATOM 0 H ARG A 26 -12.437 -3.772 1.982 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.492 -1.841 -0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.561 -2.770 1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.912 -1.647 0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.087 -3.352 -1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.802 -4.478 0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.208 -4.430 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.524 -3.211 -0.417 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.338 -5.304 -1.892 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -17.969 -4.912 0.377 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.939 -6.207 -0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.578 -6.961 -2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.158 -7.357 -2.116 1.00 0.00 H new ATOM 380 N SER A 27 -12.454 -0.804 2.919 1.00 0.00 N ATOM 381 CA SER A 27 -12.299 0.434 3.724 1.00 0.00 C ATOM 382 C SER A 27 -10.994 1.125 3.326 1.00 0.00 C ATOM 383 O SER A 27 -10.848 2.322 3.472 1.00 0.00 O ATOM 384 CB SER A 27 -12.249 0.073 5.209 1.00 0.00 C ATOM 385 OG SER A 27 -11.090 -0.710 5.462 1.00 0.00 O ATOM 0 H SER A 27 -12.388 -1.677 3.443 1.00 0.00 H new ATOM 0 HA SER A 27 -13.142 1.101 3.542 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.230 0.979 5.815 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.145 -0.480 5.491 1.00 0.00 H new ATOM 0 HG SER A 27 -10.836 -1.191 4.647 1.00 0.00 H new ATOM 391 N ILE A 28 -10.019 0.376 2.868 1.00 0.00 N ATOM 392 CA ILE A 28 -8.709 0.995 2.517 1.00 0.00 C ATOM 393 C ILE A 28 -8.738 1.540 1.087 1.00 0.00 C ATOM 394 O ILE A 28 -8.233 2.607 0.810 1.00 0.00 O ATOM 395 CB ILE A 28 -7.621 -0.073 2.639 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.439 -0.451 4.111 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.303 0.463 2.082 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.647 -1.755 4.206 1.00 0.00 C ATOM 0 H ILE A 28 -10.077 -0.632 2.724 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.505 1.824 3.195 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.918 -0.954 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.915 0.345 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.411 -0.567 4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.532 -0.302 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.432 0.727 1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.003 1.348 2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.516 -2.026 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.189 -2.548 3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.670 -1.622 3.741 1.00 0.00 H new ATOM 410 N ILE A 29 -9.310 0.804 0.175 1.00 0.00 N ATOM 411 CA ILE A 29 -9.344 1.285 -1.236 1.00 0.00 C ATOM 412 C ILE A 29 -10.251 2.512 -1.342 1.00 0.00 C ATOM 413 O ILE A 29 -9.976 3.424 -2.090 1.00 0.00 O ATOM 414 CB ILE A 29 -9.857 0.170 -2.156 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.959 -1.072 -2.023 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.834 0.656 -3.609 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.694 -2.298 -2.571 1.00 0.00 C ATOM 0 H ILE A 29 -9.751 -0.100 0.342 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.336 1.561 -1.545 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.876 -0.089 -1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.028 -0.920 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.694 -1.231 -0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.198 -0.136 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.474 1.533 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.814 0.917 -3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.056 -3.177 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.613 -2.454 -2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.936 -2.137 -3.621 1.00 0.00 H new ATOM 429 N GLY A 30 -11.338 2.553 -0.622 1.00 0.00 N ATOM 430 CA GLY A 30 -12.251 3.732 -0.726 1.00 0.00 C ATOM 431 C GLY A 30 -13.273 3.460 -1.831 1.00 0.00 C ATOM 432 O GLY A 30 -13.321 2.378 -2.384 1.00 0.00 O ATOM 0 H GLY A 30 -11.634 1.827 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.757 3.904 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.681 4.633 -0.951 1.00 0.00 H new ATOM 436 N LYS A 31 -14.094 4.422 -2.163 1.00 0.00 N ATOM 437 CA LYS A 31 -15.110 4.197 -3.237 1.00 0.00 C ATOM 438 C LYS A 31 -14.535 4.617 -4.592 1.00 0.00 C ATOM 439 O LYS A 31 -15.129 4.388 -5.626 1.00 0.00 O ATOM 440 CB LYS A 31 -16.354 5.032 -2.937 1.00 0.00 C ATOM 441 CG LYS A 31 -16.894 4.667 -1.549 1.00 0.00 C ATOM 442 CD LYS A 31 -18.222 5.396 -1.296 1.00 0.00 C ATOM 443 CE LYS A 31 -18.614 5.257 0.181 1.00 0.00 C ATOM 444 NZ LYS A 31 -18.177 3.926 0.690 1.00 0.00 N ATOM 0 H LYS A 31 -14.106 5.350 -1.740 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.372 3.140 -3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.110 6.094 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.117 4.852 -3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.042 3.589 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.168 4.940 -0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.126 6.449 -1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.004 4.979 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.152 6.052 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.693 5.364 0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.641 3.733 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.440 3.189 0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.145 3.926 0.820 1.00 0.00 H new ATOM 458 N GLY A 32 -13.385 5.234 -4.596 1.00 0.00 N ATOM 459 CA GLY A 32 -12.767 5.679 -5.884 1.00 0.00 C ATOM 460 C GLY A 32 -11.249 5.550 -5.791 1.00 0.00 C ATOM 461 O GLY A 32 -10.524 6.182 -6.534 1.00 0.00 O ATOM 0 H GLY A 32 -12.842 5.451 -3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.144 5.074 -6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.043 6.712 -6.094 1.00 0.00 H new ATOM 465 N GLY A 33 -10.748 4.758 -4.886 1.00 0.00 N ATOM 466 CA GLY A 33 -9.269 4.634 -4.770 1.00 0.00 C ATOM 467 C GLY A 33 -8.720 5.922 -4.159 1.00 0.00 C ATOM 468 O GLY A 33 -7.558 6.003 -3.815 1.00 0.00 O ATOM 0 H GLY A 33 -11.290 4.197 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.009 3.778 -4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.825 4.461 -5.751 1.00 0.00 H new ATOM 472 N GLN A 34 -9.544 6.943 -4.065 1.00 0.00 N ATOM 473 CA GLN A 34 -9.089 8.266 -3.519 1.00 0.00 C ATOM 474 C GLN A 34 -8.080 8.062 -2.377 1.00 0.00 C ATOM 475 O GLN A 34 -7.255 8.915 -2.117 1.00 0.00 O ATOM 476 CB GLN A 34 -10.316 9.008 -2.956 1.00 0.00 C ATOM 477 CG GLN A 34 -11.143 9.612 -4.100 1.00 0.00 C ATOM 478 CD GLN A 34 -12.356 10.343 -3.519 1.00 0.00 C ATOM 479 OE1 GLN A 34 -12.380 10.667 -2.348 1.00 0.00 O ATOM 480 NE2 GLN A 34 -13.371 10.616 -4.292 1.00 0.00 N ATOM 0 H GLN A 34 -10.524 6.915 -4.347 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.614 8.836 -4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.932 8.320 -2.377 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.993 9.796 -2.276 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.531 10.303 -4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.470 8.827 -4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.351 10.344 -5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.184 11.101 -3.913 1.00 0.00 H new ATOM 489 N ARG A 35 -8.147 6.959 -1.677 1.00 0.00 N ATOM 490 CA ARG A 35 -7.193 6.746 -0.542 1.00 0.00 C ATOM 491 C ARG A 35 -5.900 6.118 -1.064 1.00 0.00 C ATOM 492 O ARG A 35 -4.824 6.415 -0.586 1.00 0.00 O ATOM 493 CB ARG A 35 -7.824 5.805 0.499 1.00 0.00 C ATOM 494 CG ARG A 35 -6.965 5.783 1.783 1.00 0.00 C ATOM 495 CD ARG A 35 -7.397 6.911 2.731 1.00 0.00 C ATOM 496 NE ARG A 35 -6.449 6.983 3.880 1.00 0.00 N ATOM 497 CZ ARG A 35 -6.443 8.033 4.655 1.00 0.00 C ATOM 498 NH1 ARG A 35 -7.266 9.020 4.423 1.00 0.00 N ATOM 499 NH2 ARG A 35 -5.613 8.098 5.661 1.00 0.00 N ATOM 0 H ARG A 35 -8.812 6.203 -1.838 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.973 7.708 -0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.836 6.136 0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.905 4.798 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.069 4.819 2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.912 5.897 1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.413 7.862 2.199 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.410 6.730 3.092 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.806 6.212 4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.913 8.970 3.636 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.262 9.841 5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.969 7.328 5.841 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.609 8.919 6.266 1.00 0.00 H new ATOM 513 N ILE A 36 -5.986 5.260 -2.043 1.00 0.00 N ATOM 514 CA ILE A 36 -4.745 4.634 -2.582 1.00 0.00 C ATOM 515 C ILE A 36 -4.000 5.668 -3.445 1.00 0.00 C ATOM 516 O ILE A 36 -2.795 5.613 -3.590 1.00 0.00 O ATOM 517 CB ILE A 36 -5.114 3.360 -3.380 1.00 0.00 C ATOM 518 CG1 ILE A 36 -5.164 2.144 -2.429 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.100 3.101 -4.505 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.753 1.592 -2.154 1.00 0.00 C ATOM 0 H ILE A 36 -6.854 4.967 -2.490 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.081 4.330 -1.773 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.094 3.510 -3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.633 2.434 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.784 1.362 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.383 2.200 -5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.090 3.950 -5.188 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.107 2.969 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.822 0.737 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.295 1.280 -3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.142 2.368 -1.693 1.00 0.00 H new ATOM 532 N LYS A 37 -4.704 6.614 -4.006 1.00 0.00 N ATOM 533 CA LYS A 37 -4.028 7.647 -4.841 1.00 0.00 C ATOM 534 C LYS A 37 -3.260 8.608 -3.928 1.00 0.00 C ATOM 535 O LYS A 37 -2.107 8.910 -4.164 1.00 0.00 O ATOM 536 CB LYS A 37 -5.079 8.426 -5.637 1.00 0.00 C ATOM 537 CG LYS A 37 -5.831 7.470 -6.564 1.00 0.00 C ATOM 538 CD LYS A 37 -6.852 8.255 -7.391 1.00 0.00 C ATOM 539 CE LYS A 37 -7.522 7.319 -8.398 1.00 0.00 C ATOM 540 NZ LYS A 37 -8.487 8.093 -9.231 1.00 0.00 N ATOM 0 H LYS A 37 -5.715 6.716 -3.922 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.335 7.166 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.777 8.914 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.600 9.212 -6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.129 6.959 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.336 6.701 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.602 8.699 -6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.359 9.075 -7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.769 6.852 -9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.040 6.515 -7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.943 7.457 -9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.212 8.518 -8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.980 8.845 -9.741 1.00 0.00 H new ATOM 554 N GLN A 38 -3.887 9.097 -2.892 1.00 0.00 N ATOM 555 CA GLN A 38 -3.182 10.043 -1.978 1.00 0.00 C ATOM 556 C GLN A 38 -1.944 9.367 -1.383 1.00 0.00 C ATOM 557 O GLN A 38 -0.854 9.903 -1.421 1.00 0.00 O ATOM 558 CB GLN A 38 -4.128 10.465 -0.851 1.00 0.00 C ATOM 559 CG GLN A 38 -5.223 11.370 -1.419 1.00 0.00 C ATOM 560 CD GLN A 38 -6.222 11.719 -0.315 1.00 0.00 C ATOM 561 OE1 GLN A 38 -5.887 11.704 0.853 1.00 0.00 O ATOM 562 NE2 GLN A 38 -7.447 12.035 -0.637 1.00 0.00 N ATOM 0 H GLN A 38 -4.852 8.884 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.872 10.923 -2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.573 9.585 -0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.574 10.990 -0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.782 12.280 -1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.734 10.868 -2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.730 12.048 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.122 12.269 0.091 1.00 0.00 H new ATOM 571 N ILE A 39 -2.099 8.195 -0.829 1.00 0.00 N ATOM 572 CA ILE A 39 -0.929 7.491 -0.230 1.00 0.00 C ATOM 573 C ILE A 39 0.169 7.324 -1.284 1.00 0.00 C ATOM 574 O ILE A 39 1.345 7.341 -0.979 1.00 0.00 O ATOM 575 CB ILE A 39 -1.366 6.113 0.269 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.407 6.280 1.379 1.00 0.00 C ATOM 577 CG2 ILE A 39 -0.154 5.359 0.820 1.00 0.00 C ATOM 578 CD1 ILE A 39 -3.046 4.925 1.687 1.00 0.00 C ATOM 0 H ILE A 39 -2.985 7.694 -0.765 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.543 8.078 0.604 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.799 5.550 -0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.937 6.684 2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.172 6.993 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.467 4.377 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.589 5.240 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.280 5.922 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.787 5.044 2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.530 4.539 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.276 4.226 2.013 1.00 0.00 H new ATOM 590 N ARG A 40 -0.207 7.153 -2.522 1.00 0.00 N ATOM 591 CA ARG A 40 0.813 6.972 -3.598 1.00 0.00 C ATOM 592 C ARG A 40 1.736 8.193 -3.662 1.00 0.00 C ATOM 593 O ARG A 40 2.944 8.067 -3.662 1.00 0.00 O ATOM 594 CB ARG A 40 0.108 6.803 -4.948 1.00 0.00 C ATOM 595 CG ARG A 40 1.113 6.312 -5.998 1.00 0.00 C ATOM 596 CD ARG A 40 0.371 5.915 -7.278 1.00 0.00 C ATOM 597 NE ARG A 40 1.332 5.299 -8.236 1.00 0.00 N ATOM 598 CZ ARG A 40 0.890 4.623 -9.260 1.00 0.00 C ATOM 599 NH1 ARG A 40 -0.395 4.486 -9.446 1.00 0.00 N ATOM 600 NH2 ARG A 40 1.731 4.085 -10.100 1.00 0.00 N ATOM 0 H ARG A 40 -1.177 7.131 -2.837 1.00 0.00 H new ATOM 0 HA ARG A 40 1.406 6.085 -3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.712 6.091 -4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.328 7.751 -5.263 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.839 7.096 -6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.671 5.460 -5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.428 5.212 -7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.096 6.791 -7.727 1.00 0.00 H new ATOM 0 HE ARG A 40 2.336 5.406 -8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.053 4.908 -8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.741 3.957 -10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.735 4.193 -9.956 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.384 3.556 -10.901 1.00 0.00 H new ATOM 614 N HIS A 41 1.179 9.371 -3.735 1.00 0.00 N ATOM 615 CA HIS A 41 2.030 10.592 -3.819 1.00 0.00 C ATOM 616 C HIS A 41 2.635 10.912 -2.449 1.00 0.00 C ATOM 617 O HIS A 41 3.771 11.333 -2.346 1.00 0.00 O ATOM 618 CB HIS A 41 1.177 11.773 -4.286 1.00 0.00 C ATOM 619 CG HIS A 41 0.433 11.391 -5.536 1.00 0.00 C ATOM 620 ND1 HIS A 41 -0.936 11.566 -5.664 1.00 0.00 N ATOM 621 CD2 HIS A 41 0.853 10.841 -6.722 1.00 0.00 C ATOM 622 CE1 HIS A 41 -1.288 11.130 -6.888 1.00 0.00 C ATOM 623 NE2 HIS A 41 -0.236 10.677 -7.574 1.00 0.00 N ATOM 0 H HIS A 41 0.173 9.541 -3.740 1.00 0.00 H new ATOM 0 HA HIS A 41 2.837 10.414 -4.530 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.473 12.059 -3.504 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.810 12.639 -4.477 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.873 10.576 -6.958 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -2.299 11.145 -7.269 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -0.231 10.293 -8.519 1.00 0.00 H new ATOM 631 N GLU A 42 1.887 10.727 -1.397 1.00 0.00 N ATOM 632 CA GLU A 42 2.423 11.034 -0.039 1.00 0.00 C ATOM 633 C GLU A 42 3.626 10.139 0.269 1.00 0.00 C ATOM 634 O GLU A 42 4.627 10.591 0.789 1.00 0.00 O ATOM 635 CB GLU A 42 1.333 10.806 1.009 1.00 0.00 C ATOM 636 CG GLU A 42 1.803 11.352 2.359 1.00 0.00 C ATOM 637 CD GLU A 42 0.683 11.202 3.390 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.580 10.136 3.973 1.00 0.00 O ATOM 639 OE2 GLU A 42 -0.052 12.158 3.579 1.00 0.00 O ATOM 0 H GLU A 42 0.929 10.377 -1.417 1.00 0.00 H new ATOM 0 HA GLU A 42 2.740 12.076 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.411 11.302 0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.110 9.742 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.691 10.814 2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.083 12.401 2.261 1.00 0.00 H new ATOM 646 N SER A 43 3.533 8.871 -0.027 1.00 0.00 N ATOM 647 CA SER A 43 4.669 7.948 0.274 1.00 0.00 C ATOM 648 C SER A 43 5.672 7.942 -0.882 1.00 0.00 C ATOM 649 O SER A 43 6.827 7.605 -0.708 1.00 0.00 O ATOM 650 CB SER A 43 4.133 6.533 0.489 1.00 0.00 C ATOM 651 OG SER A 43 5.205 5.605 0.398 1.00 0.00 O ATOM 0 H SER A 43 2.722 8.433 -0.464 1.00 0.00 H new ATOM 0 HA SER A 43 5.173 8.293 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.654 6.458 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.373 6.302 -0.258 1.00 0.00 H new ATOM 0 HG SER A 43 5.227 5.051 1.206 1.00 0.00 H new ATOM 657 N GLY A 44 5.243 8.289 -2.063 1.00 0.00 N ATOM 658 CA GLY A 44 6.181 8.272 -3.222 1.00 0.00 C ATOM 659 C GLY A 44 6.336 6.826 -3.686 1.00 0.00 C ATOM 660 O GLY A 44 7.058 6.529 -4.619 1.00 0.00 O ATOM 0 H GLY A 44 4.290 8.582 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.797 8.892 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.148 8.685 -2.935 1.00 0.00 H new ATOM 664 N ALA A 45 5.662 5.925 -3.027 1.00 0.00 N ATOM 665 CA ALA A 45 5.750 4.487 -3.397 1.00 0.00 C ATOM 666 C ALA A 45 4.760 4.176 -4.518 1.00 0.00 C ATOM 667 O ALA A 45 3.793 4.879 -4.730 1.00 0.00 O ATOM 668 CB ALA A 45 5.404 3.632 -2.175 1.00 0.00 C ATOM 0 H ALA A 45 5.047 6.128 -2.239 1.00 0.00 H new ATOM 0 HA ALA A 45 6.762 4.265 -3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.467 2.577 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.107 3.847 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.392 3.863 -1.844 1.00 0.00 H new ATOM 674 N SER A 46 4.979 3.080 -5.195 1.00 0.00 N ATOM 675 CA SER A 46 4.044 2.638 -6.270 1.00 0.00 C ATOM 676 C SER A 46 3.285 1.434 -5.716 1.00 0.00 C ATOM 677 O SER A 46 3.852 0.631 -5.001 1.00 0.00 O ATOM 678 CB SER A 46 4.837 2.222 -7.510 1.00 0.00 C ATOM 679 OG SER A 46 5.593 3.331 -7.977 1.00 0.00 O ATOM 0 H SER A 46 5.778 2.464 -5.046 1.00 0.00 H new ATOM 0 HA SER A 46 3.364 3.440 -6.556 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.500 1.390 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.159 1.875 -8.290 1.00 0.00 H new ATOM 0 HG SER A 46 6.104 3.068 -8.771 1.00 0.00 H new ATOM 685 N ILE A 47 2.014 1.294 -6.000 1.00 0.00 N ATOM 686 CA ILE A 47 1.238 0.139 -5.449 1.00 0.00 C ATOM 687 C ILE A 47 0.310 -0.423 -6.526 1.00 0.00 C ATOM 688 O ILE A 47 -0.334 0.312 -7.248 1.00 0.00 O ATOM 689 CB ILE A 47 0.400 0.609 -4.249 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.333 1.031 -3.106 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.506 -0.534 -3.767 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.519 1.677 -1.982 1.00 0.00 C ATOM 0 H ILE A 47 1.479 1.931 -6.591 1.00 0.00 H new ATOM 0 HA ILE A 47 1.932 -0.638 -5.129 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.216 1.456 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.871 0.163 -2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.081 1.733 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.098 -0.195 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.172 -0.836 -4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.108 -1.383 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.187 1.974 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.001 2.556 -2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.212 0.962 -1.604 1.00 0.00 H new ATOM 704 N LYS A 48 0.239 -1.723 -6.636 1.00 0.00 N ATOM 705 CA LYS A 48 -0.637 -2.374 -7.654 1.00 0.00 C ATOM 706 C LYS A 48 -1.583 -3.333 -6.936 1.00 0.00 C ATOM 707 O LYS A 48 -1.153 -4.152 -6.148 1.00 0.00 O ATOM 708 CB LYS A 48 0.243 -3.172 -8.618 1.00 0.00 C ATOM 709 CG LYS A 48 -0.613 -3.728 -9.762 1.00 0.00 C ATOM 710 CD LYS A 48 0.262 -4.561 -10.715 1.00 0.00 C ATOM 711 CE LYS A 48 0.424 -5.989 -10.181 1.00 0.00 C ATOM 712 NZ LYS A 48 1.132 -6.819 -11.196 1.00 0.00 N ATOM 0 H LYS A 48 0.762 -2.374 -6.051 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.207 -1.624 -8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.031 -2.534 -9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.732 -3.989 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.417 -4.345 -9.360 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.082 -2.909 -10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.191 -4.586 -11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.241 -4.093 -10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.986 -5.978 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.553 -6.420 -9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.243 -7.788 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.578 -6.838 -12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.070 -6.411 -11.386 1.00 0.00 H new ATOM 726 N ILE A 49 -2.866 -3.253 -7.190 1.00 0.00 N ATOM 727 CA ILE A 49 -3.834 -4.171 -6.514 1.00 0.00 C ATOM 728 C ILE A 49 -4.206 -5.287 -7.494 1.00 0.00 C ATOM 729 O ILE A 49 -4.512 -5.034 -8.643 1.00 0.00 O ATOM 730 CB ILE A 49 -5.078 -3.368 -6.120 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.632 -2.141 -5.318 1.00 0.00 C ATOM 732 CG2 ILE A 49 -6.010 -4.232 -5.265 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.847 -1.305 -4.916 1.00 0.00 C ATOM 0 H ILE A 49 -3.286 -2.588 -7.840 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.396 -4.610 -5.618 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.615 -3.056 -7.016 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.088 -2.457 -4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.947 -1.538 -5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.892 -3.653 -4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.316 -5.110 -5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.487 -4.548 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.518 -0.436 -4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.374 -0.974 -5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.517 -1.908 -4.303 1.00 0.00 H new ATOM 745 N ASP A 50 -4.181 -6.518 -7.059 1.00 0.00 N ATOM 746 CA ASP A 50 -4.530 -7.649 -7.972 1.00 0.00 C ATOM 747 C ASP A 50 -6.020 -7.947 -7.844 1.00 0.00 C ATOM 748 O ASP A 50 -6.620 -7.712 -6.815 1.00 0.00 O ATOM 749 CB ASP A 50 -3.729 -8.889 -7.570 1.00 0.00 C ATOM 750 CG ASP A 50 -3.971 -10.003 -8.592 1.00 0.00 C ATOM 751 OD1 ASP A 50 -3.406 -9.922 -9.670 1.00 0.00 O ATOM 752 OD2 ASP A 50 -4.716 -10.917 -8.278 1.00 0.00 O ATOM 0 H ASP A 50 -3.933 -6.792 -6.108 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.293 -7.381 -9.002 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.667 -8.649 -7.521 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.027 -9.221 -6.576 1.00 0.00 H new ATOM 757 N GLU A 51 -6.626 -8.486 -8.866 1.00 0.00 N ATOM 758 CA GLU A 51 -8.071 -8.824 -8.781 1.00 0.00 C ATOM 759 C GLU A 51 -8.232 -9.984 -7.790 1.00 0.00 C ATOM 760 O GLU A 51 -7.314 -10.762 -7.614 1.00 0.00 O ATOM 761 CB GLU A 51 -8.546 -9.272 -10.170 1.00 0.00 C ATOM 762 CG GLU A 51 -8.775 -8.044 -11.057 1.00 0.00 C ATOM 763 CD GLU A 51 -9.175 -8.497 -12.462 1.00 0.00 C ATOM 764 OE1 GLU A 51 -8.365 -9.141 -13.110 1.00 0.00 O ATOM 765 OE2 GLU A 51 -10.285 -8.193 -12.867 1.00 0.00 O ATOM 0 H GLU A 51 -6.180 -8.706 -9.757 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.655 -7.965 -8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.804 -9.928 -10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.468 -9.846 -10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.556 -7.414 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.868 -7.441 -11.102 1.00 0.00 H new ATOM 772 N PRO A 52 -9.366 -10.130 -7.148 1.00 0.00 N ATOM 773 CA PRO A 52 -9.542 -11.256 -6.190 1.00 0.00 C ATOM 774 C PRO A 52 -9.486 -12.612 -6.911 1.00 0.00 C ATOM 775 O PRO A 52 -10.020 -12.772 -7.991 1.00 0.00 O ATOM 776 CB PRO A 52 -10.939 -10.975 -5.608 1.00 0.00 C ATOM 777 CG PRO A 52 -11.626 -9.940 -6.516 1.00 0.00 C ATOM 778 CD PRO A 52 -10.532 -9.215 -7.313 1.00 0.00 C ATOM 0 HA PRO A 52 -8.763 -11.314 -5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.526 -11.893 -5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.859 -10.596 -4.589 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.329 -10.430 -7.190 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.199 -9.229 -5.920 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.806 -9.089 -8.360 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.329 -8.221 -6.915 1.00 0.00 H new ATOM 853 N ASP A 58 -10.549 -12.455 0.116 1.00 0.00 N ATOM 854 CA ASP A 58 -9.470 -11.530 0.570 1.00 0.00 C ATOM 855 C ASP A 58 -8.918 -10.772 -0.642 1.00 0.00 C ATOM 856 O ASP A 58 -9.011 -11.221 -1.768 1.00 0.00 O ATOM 857 CB ASP A 58 -8.345 -12.346 1.210 1.00 0.00 C ATOM 858 CG ASP A 58 -8.852 -12.988 2.504 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.574 -13.968 2.413 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.508 -12.489 3.563 1.00 0.00 O ATOM 0 HA ASP A 58 -9.870 -10.823 1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.002 -13.116 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.490 -11.704 1.421 1.00 0.00 H new ATOM 865 N ARG A 59 -8.331 -9.623 -0.405 1.00 0.00 N ATOM 866 CA ARG A 59 -7.741 -8.799 -1.509 1.00 0.00 C ATOM 867 C ARG A 59 -6.226 -8.711 -1.272 1.00 0.00 C ATOM 868 O ARG A 59 -5.779 -8.597 -0.148 1.00 0.00 O ATOM 869 CB ARG A 59 -8.371 -7.379 -1.473 1.00 0.00 C ATOM 870 CG ARG A 59 -8.859 -6.955 -2.870 1.00 0.00 C ATOM 871 CD ARG A 59 -10.203 -7.617 -3.177 1.00 0.00 C ATOM 872 NE ARG A 59 -11.235 -7.111 -2.228 1.00 0.00 N ATOM 873 CZ ARG A 59 -12.502 -7.295 -2.484 1.00 0.00 C ATOM 874 NH1 ARG A 59 -12.863 -7.921 -3.571 1.00 0.00 N ATOM 875 NH2 ARG A 59 -13.405 -6.851 -1.654 1.00 0.00 N ATOM 0 H ARG A 59 -8.234 -9.214 0.524 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.940 -9.248 -2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.206 -7.366 -0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.637 -6.661 -1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.959 -5.871 -2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.124 -7.239 -3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.501 -7.401 -4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.115 -8.700 -3.091 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.952 -6.621 -1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.155 -8.266 -4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.853 -8.065 -3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.121 -6.361 -0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.395 -6.994 -1.853 1.00 0.00 H new ATOM 889 N ILE A 60 -5.435 -8.800 -2.315 1.00 0.00 N ATOM 890 CA ILE A 60 -3.943 -8.755 -2.144 1.00 0.00 C ATOM 891 C ILE A 60 -3.357 -7.482 -2.768 1.00 0.00 C ATOM 892 O ILE A 60 -3.780 -7.037 -3.816 1.00 0.00 O ATOM 893 CB ILE A 60 -3.349 -9.998 -2.803 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.748 -11.215 -1.962 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.822 -9.888 -2.846 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.442 -12.492 -2.727 1.00 0.00 C ATOM 0 H ILE A 60 -5.756 -8.902 -3.278 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.695 -8.739 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.721 -10.096 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.206 -11.208 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.810 -11.170 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.406 -10.778 -3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.537 -9.007 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.435 -9.801 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.728 -13.354 -2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.004 -12.500 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.375 -12.539 -2.945 1.00 0.00 H new ATOM 908 N ILE A 61 -2.387 -6.894 -2.109 1.00 0.00 N ATOM 909 CA ILE A 61 -1.757 -5.637 -2.631 1.00 0.00 C ATOM 910 C ILE A 61 -0.240 -5.805 -2.755 1.00 0.00 C ATOM 911 O ILE A 61 0.388 -6.459 -1.948 1.00 0.00 O ATOM 912 CB ILE A 61 -2.042 -4.490 -1.659 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.551 -4.235 -1.617 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.315 -3.226 -2.138 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.866 -3.184 -0.553 1.00 0.00 C ATOM 0 H ILE A 61 -2.002 -7.232 -1.227 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.176 -5.421 -3.614 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.689 -4.751 -0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.899 -3.895 -2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.080 -5.162 -1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.516 -2.407 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.242 -3.415 -2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.670 -2.957 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.941 -3.005 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.533 -3.541 0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.349 -2.255 -0.795 1.00 0.00 H new ATOM 927 N THR A 62 0.349 -5.209 -3.768 1.00 0.00 N ATOM 928 CA THR A 62 1.832 -5.314 -3.970 1.00 0.00 C ATOM 929 C THR A 62 2.457 -3.919 -3.876 1.00 0.00 C ATOM 930 O THR A 62 2.078 -3.011 -4.588 1.00 0.00 O ATOM 931 CB THR A 62 2.115 -5.911 -5.353 1.00 0.00 C ATOM 932 OG1 THR A 62 1.566 -7.220 -5.421 1.00 0.00 O ATOM 933 CG2 THR A 62 3.626 -5.978 -5.583 1.00 0.00 C ATOM 0 H THR A 62 -0.138 -4.650 -4.468 1.00 0.00 H new ATOM 0 HA THR A 62 2.262 -5.957 -3.202 1.00 0.00 H new ATOM 0 HB THR A 62 1.661 -5.284 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.744 -7.604 -6.305 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.826 -6.403 -6.567 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.047 -4.974 -5.529 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.083 -6.605 -4.817 1.00 0.00 H new ATOM 941 N ILE A 63 3.411 -3.743 -2.994 1.00 0.00 N ATOM 942 CA ILE A 63 4.075 -2.410 -2.827 1.00 0.00 C ATOM 943 C ILE A 63 5.464 -2.446 -3.470 1.00 0.00 C ATOM 944 O ILE A 63 6.223 -3.365 -3.231 1.00 0.00 O ATOM 945 CB ILE A 63 4.242 -2.124 -1.334 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.907 -2.369 -0.621 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.679 -0.665 -1.142 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.003 -1.911 0.835 1.00 0.00 C ATOM 0 H ILE A 63 3.762 -4.474 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 63 3.466 -1.639 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 63 5.001 -2.783 -0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.109 -1.829 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.652 -3.428 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.799 -0.458 -0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.627 -0.499 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.922 -0.001 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.051 -2.088 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.789 -2.471 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.237 -0.847 0.867 1.00 0.00 H new ATOM 960 N THR A 64 5.822 -1.462 -4.262 1.00 0.00 N ATOM 961 CA THR A 64 7.191 -1.461 -4.888 1.00 0.00 C ATOM 962 C THR A 64 7.847 -0.098 -4.661 1.00 0.00 C ATOM 963 O THR A 64 7.252 0.932 -4.904 1.00 0.00 O ATOM 964 CB THR A 64 7.075 -1.733 -6.390 1.00 0.00 C ATOM 965 OG1 THR A 64 6.198 -2.830 -6.604 1.00 0.00 O ATOM 966 CG2 THR A 64 8.455 -2.063 -6.959 1.00 0.00 C ATOM 0 H THR A 64 5.234 -0.664 -4.503 1.00 0.00 H new ATOM 0 HA THR A 64 7.800 -2.241 -4.432 1.00 0.00 H new ATOM 0 HB THR A 64 6.681 -0.848 -6.890 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.121 -3.005 -7.565 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.371 -2.256 -8.028 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.127 -1.221 -6.794 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.852 -2.947 -6.461 1.00 0.00 H new ATOM 974 N GLY A 65 9.066 -0.079 -4.185 1.00 0.00 N ATOM 975 CA GLY A 65 9.765 1.212 -3.923 1.00 0.00 C ATOM 976 C GLY A 65 10.953 0.951 -2.989 1.00 0.00 C ATOM 977 O GLY A 65 11.275 -0.181 -2.688 1.00 0.00 O ATOM 0 H GLY A 65 9.611 -0.913 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.110 1.651 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.079 1.927 -3.470 1.00 0.00 H new ATOM 981 N THR A 66 11.608 1.983 -2.528 1.00 0.00 N ATOM 982 CA THR A 66 12.773 1.776 -1.616 1.00 0.00 C ATOM 983 C THR A 66 12.279 1.341 -0.231 1.00 0.00 C ATOM 984 O THR A 66 11.134 1.530 0.129 1.00 0.00 O ATOM 985 CB THR A 66 13.578 3.072 -1.498 1.00 0.00 C ATOM 986 OG1 THR A 66 12.689 4.165 -1.308 1.00 0.00 O ATOM 987 CG2 THR A 66 14.390 3.285 -2.776 1.00 0.00 C ATOM 0 H THR A 66 11.389 2.956 -2.741 1.00 0.00 H new ATOM 0 HA THR A 66 13.413 0.996 -2.027 1.00 0.00 H new ATOM 0 HB THR A 66 14.256 3.005 -0.647 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.826 4.826 -2.019 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.964 4.208 -2.693 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.071 2.446 -2.918 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.715 3.353 -3.629 1.00 0.00 H new ATOM 995 N GLN A 67 13.156 0.747 0.538 1.00 0.00 N ATOM 996 CA GLN A 67 12.795 0.267 1.905 1.00 0.00 C ATOM 997 C GLN A 67 11.999 1.333 2.655 1.00 0.00 C ATOM 998 O GLN A 67 10.969 1.059 3.241 1.00 0.00 O ATOM 999 CB GLN A 67 14.084 -0.024 2.686 1.00 0.00 C ATOM 1000 CG GLN A 67 13.761 -0.809 3.961 1.00 0.00 C ATOM 1001 CD GLN A 67 13.255 -2.206 3.600 1.00 0.00 C ATOM 1002 OE1 GLN A 67 11.978 -2.393 3.423 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 14.029 -3.135 3.480 1.00 0.00 N flip ATOM 0 H GLN A 67 14.124 0.572 0.270 1.00 0.00 H new ATOM 0 HA GLN A 67 12.187 -0.633 1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.775 -0.594 2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.582 0.911 2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.651 -0.886 4.586 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.007 -0.279 4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.029 -2.987 3.619 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.679 -4.063 3.240 1.00 0.00 H new ATOM 1012 N ASP A 68 12.478 2.540 2.656 1.00 0.00 N ATOM 1013 CA ASP A 68 11.765 3.623 3.384 1.00 0.00 C ATOM 1014 C ASP A 68 10.439 3.933 2.689 1.00 0.00 C ATOM 1015 O ASP A 68 9.416 4.070 3.329 1.00 0.00 O ATOM 1016 CB ASP A 68 12.634 4.882 3.418 1.00 0.00 C ATOM 1017 CG ASP A 68 13.973 4.559 4.085 1.00 0.00 C ATOM 1018 OD1 ASP A 68 13.954 3.928 5.128 1.00 0.00 O ATOM 1019 OD2 ASP A 68 14.993 4.950 3.542 1.00 0.00 O ATOM 0 H ASP A 68 13.335 2.826 2.183 1.00 0.00 H new ATOM 0 HA ASP A 68 11.566 3.294 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.799 5.250 2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.124 5.674 3.966 1.00 0.00 H new ATOM 1024 N GLN A 69 10.436 4.057 1.391 1.00 0.00 N ATOM 1025 CA GLN A 69 9.160 4.371 0.691 1.00 0.00 C ATOM 1026 C GLN A 69 8.129 3.283 1.003 1.00 0.00 C ATOM 1027 O GLN A 69 6.951 3.549 1.150 1.00 0.00 O ATOM 1028 CB GLN A 69 9.401 4.430 -0.818 1.00 0.00 C ATOM 1029 CG GLN A 69 10.208 5.683 -1.162 1.00 0.00 C ATOM 1030 CD GLN A 69 10.656 5.614 -2.623 1.00 0.00 C ATOM 1031 OE1 GLN A 69 11.732 6.067 -2.963 1.00 0.00 O ATOM 1032 NE2 GLN A 69 9.872 5.060 -3.508 1.00 0.00 N ATOM 0 H GLN A 69 11.254 3.956 0.790 1.00 0.00 H new ATOM 0 HA GLN A 69 8.787 5.336 1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.937 3.539 -1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.449 4.442 -1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.603 6.575 -0.997 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.076 5.761 -0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.969 4.680 -3.223 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.162 5.007 -4.484 1.00 0.00 H new ATOM 1041 N ILE A 70 8.571 2.056 1.103 1.00 0.00 N ATOM 1042 CA ILE A 70 7.639 0.931 1.405 1.00 0.00 C ATOM 1043 C ILE A 70 7.178 0.998 2.865 1.00 0.00 C ATOM 1044 O ILE A 70 6.006 0.852 3.153 1.00 0.00 O ATOM 1045 CB ILE A 70 8.357 -0.407 1.166 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.584 -0.602 -0.338 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.503 -1.565 1.704 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.499 -1.808 -0.570 1.00 0.00 C ATOM 0 H ILE A 70 9.547 1.784 0.987 1.00 0.00 H new ATOM 0 HA ILE A 70 6.770 1.011 0.752 1.00 0.00 H new ATOM 0 HB ILE A 70 9.315 -0.395 1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.630 -0.755 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.032 0.294 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.019 -2.509 1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.341 -1.431 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.542 -1.577 1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.658 -1.944 -1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.457 -1.637 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.034 -2.703 -0.156 1.00 0.00 H new ATOM 1060 N GLN A 71 8.072 1.220 3.793 1.00 0.00 N ATOM 1061 CA GLN A 71 7.670 1.298 5.226 1.00 0.00 C ATOM 1062 C GLN A 71 6.679 2.446 5.414 1.00 0.00 C ATOM 1063 O GLN A 71 5.691 2.320 6.108 1.00 0.00 O ATOM 1064 CB GLN A 71 8.913 1.557 6.079 1.00 0.00 C ATOM 1065 CG GLN A 71 8.533 1.544 7.561 1.00 0.00 C ATOM 1066 CD GLN A 71 9.797 1.686 8.411 1.00 0.00 C ATOM 1067 OE1 GLN A 71 10.759 2.469 8.003 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 9.911 1.078 9.457 1.00 0.00 N flip ATOM 0 H GLN A 71 9.068 1.351 3.617 1.00 0.00 H new ATOM 0 HA GLN A 71 7.202 0.361 5.529 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.667 0.796 5.880 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.353 2.519 5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.842 2.359 7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.018 0.615 7.808 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.160 0.466 9.776 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.758 1.179 10.016 1.00 0.00 H new ATOM 1077 N ASN A 72 6.936 3.568 4.798 1.00 0.00 N ATOM 1078 CA ASN A 72 6.007 4.722 4.939 1.00 0.00 C ATOM 1079 C ASN A 72 4.645 4.329 4.374 1.00 0.00 C ATOM 1080 O ASN A 72 3.612 4.746 4.859 1.00 0.00 O ATOM 1081 CB ASN A 72 6.562 5.922 4.167 1.00 0.00 C ATOM 1082 CG ASN A 72 7.827 6.434 4.858 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.484 5.700 5.570 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.199 7.672 4.679 1.00 0.00 N ATOM 0 H ASN A 72 7.749 3.734 4.204 1.00 0.00 H new ATOM 0 HA ASN A 72 5.905 4.992 5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.787 5.634 3.140 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.815 6.714 4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.040 8.023 5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.648 8.289 4.082 1.00 0.00 H new ATOM 1091 N ALA A 73 4.639 3.528 3.345 1.00 0.00 N ATOM 1092 CA ALA A 73 3.352 3.102 2.734 1.00 0.00 C ATOM 1093 C ALA A 73 2.683 2.054 3.625 1.00 0.00 C ATOM 1094 O ALA A 73 1.494 2.099 3.868 1.00 0.00 O ATOM 1095 CB ALA A 73 3.624 2.503 1.353 1.00 0.00 C ATOM 0 H ALA A 73 5.475 3.149 2.900 1.00 0.00 H new ATOM 0 HA ALA A 73 2.691 3.963 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.683 2.189 0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.099 3.251 0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.284 1.641 1.454 1.00 0.00 H new ATOM 1101 N GLN A 74 3.437 1.103 4.107 1.00 0.00 N ATOM 1102 CA GLN A 74 2.855 0.041 4.976 1.00 0.00 C ATOM 1103 C GLN A 74 2.199 0.667 6.208 1.00 0.00 C ATOM 1104 O GLN A 74 1.082 0.340 6.558 1.00 0.00 O ATOM 1105 CB GLN A 74 3.964 -0.911 5.425 1.00 0.00 C ATOM 1106 CG GLN A 74 4.421 -1.762 4.238 1.00 0.00 C ATOM 1107 CD GLN A 74 5.659 -2.568 4.635 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.459 -2.123 5.434 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.850 -3.747 4.109 1.00 0.00 N ATOM 0 H GLN A 74 4.439 1.016 3.934 1.00 0.00 H new ATOM 0 HA GLN A 74 2.101 -0.506 4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.805 -0.344 5.824 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.603 -1.553 6.228 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.620 -2.434 3.929 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.648 -1.123 3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.179 -4.121 3.438 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.671 -4.294 4.369 1.00 0.00 H new ATOM 1118 N TYR A 75 2.883 1.552 6.881 1.00 0.00 N ATOM 1119 CA TYR A 75 2.288 2.173 8.098 1.00 0.00 C ATOM 1120 C TYR A 75 0.996 2.907 7.729 1.00 0.00 C ATOM 1121 O TYR A 75 0.022 2.857 8.454 1.00 0.00 O ATOM 1122 CB TYR A 75 3.283 3.150 8.727 1.00 0.00 C ATOM 1123 CG TYR A 75 2.689 3.736 9.985 1.00 0.00 C ATOM 1124 CD1 TYR A 75 1.921 4.905 9.919 1.00 0.00 C ATOM 1125 CD2 TYR A 75 2.907 3.112 11.220 1.00 0.00 C ATOM 1126 CE1 TYR A 75 1.370 5.449 11.085 1.00 0.00 C ATOM 1127 CE2 TYR A 75 2.357 3.656 12.386 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.588 4.824 12.319 1.00 0.00 C ATOM 1129 OH TYR A 75 1.045 5.360 13.470 1.00 0.00 O ATOM 0 H TYR A 75 3.822 1.870 6.643 1.00 0.00 H new ATOM 0 HA TYR A 75 2.058 1.390 8.820 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.216 2.636 8.958 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.523 3.945 8.021 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.754 5.387 8.967 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.500 2.211 11.272 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.777 6.350 11.033 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.526 3.175 13.338 1.00 0.00 H new ATOM 0 HH TYR A 75 1.291 4.803 14.238 1.00 0.00 H new ATOM 1139 N LEU A 76 0.965 3.585 6.613 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.287 4.302 6.234 1.00 0.00 C ATOM 1141 C LEU A 76 -1.371 3.274 5.909 1.00 0.00 C ATOM 1142 O LEU A 76 -2.543 3.510 6.123 1.00 0.00 O ATOM 1143 CB LEU A 76 -0.040 5.208 5.020 1.00 0.00 C ATOM 1144 CG LEU A 76 0.931 6.347 5.388 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.590 6.892 4.118 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.170 7.488 6.078 1.00 0.00 C ATOM 0 H LEU A 76 1.740 3.673 5.956 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.610 4.927 7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.372 4.622 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.985 5.625 4.672 1.00 0.00 H new ATOM 0 HG LEU A 76 1.690 5.954 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.276 7.697 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.141 6.093 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.822 7.275 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.866 8.287 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.595 7.875 5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.302 7.114 6.986 1.00 0.00 H new ATOM 1158 N LEU A 77 -0.996 2.124 5.417 1.00 0.00 N ATOM 1159 CA LEU A 77 -2.021 1.086 5.114 1.00 0.00 C ATOM 1160 C LEU A 77 -2.584 0.567 6.438 1.00 0.00 C ATOM 1161 O LEU A 77 -3.779 0.429 6.611 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.380 -0.072 4.329 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.267 0.294 2.835 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.220 -0.600 2.164 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.616 0.092 2.120 1.00 0.00 C ATOM 0 H LEU A 77 -0.032 1.860 5.213 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.819 1.514 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.392 -0.291 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.979 -0.975 4.445 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.975 1.342 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.142 -0.340 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.746 -0.454 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.518 -1.644 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.513 0.356 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.920 -0.951 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.371 0.728 2.582 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.720 0.286 7.376 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.175 -0.218 8.701 1.00 0.00 C ATOM 1179 C GLN A 78 -3.052 0.841 9.380 1.00 0.00 C ATOM 1180 O GLN A 78 -4.039 0.530 10.015 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.946 -0.497 9.580 1.00 0.00 C ATOM 1182 CG GLN A 78 -0.307 -1.828 9.170 1.00 0.00 C ATOM 1183 CD GLN A 78 0.959 -2.062 9.996 1.00 0.00 C ATOM 1184 OE1 GLN A 78 1.030 -1.668 11.143 1.00 0.00 O ATOM 1185 NE2 GLN A 78 1.968 -2.691 9.459 1.00 0.00 N ATOM 0 H GLN A 78 -0.710 0.385 7.279 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.751 -1.133 8.566 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.222 0.312 9.477 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.238 -0.531 10.630 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.012 -2.645 9.325 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.064 -1.815 8.108 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.909 -3.022 8.496 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.816 -2.852 10.002 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.690 2.095 9.258 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.502 3.166 9.905 1.00 0.00 C ATOM 1196 C ASN A 79 -4.754 3.444 9.072 1.00 0.00 C ATOM 1197 O ASN A 79 -5.752 3.896 9.595 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.671 4.440 10.077 1.00 0.00 C ATOM 1199 CG ASN A 79 -1.667 4.243 11.215 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -1.048 3.100 11.331 1.00 0.00 O flip ATOM 1201 ND2 ASN A 79 -1.446 5.137 12.007 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.872 2.419 8.741 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.809 2.828 10.895 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.146 4.673 9.151 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.323 5.286 10.295 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.930 6.030 11.916 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.776 4.995 12.763 1.00 0.00 H new ATOM 1208 N SER A 80 -4.739 3.182 7.795 1.00 0.00 N ATOM 1209 CA SER A 80 -5.975 3.454 7.010 1.00 0.00 C ATOM 1210 C SER A 80 -7.077 2.561 7.586 1.00 0.00 C ATOM 1211 O SER A 80 -8.235 2.925 7.633 1.00 0.00 O ATOM 1212 CB SER A 80 -5.752 3.142 5.527 1.00 0.00 C ATOM 1213 OG SER A 80 -4.624 3.872 5.060 1.00 0.00 O ATOM 0 H SER A 80 -3.949 2.802 7.273 1.00 0.00 H new ATOM 0 HA SER A 80 -6.252 4.506 7.080 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.591 2.073 5.388 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.637 3.409 4.950 1.00 0.00 H new ATOM 0 HG SER A 80 -3.802 3.429 5.357 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.707 1.388 8.023 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.698 0.437 8.603 1.00 0.00 C ATOM 1221 C VAL A 81 -8.637 1.174 9.560 1.00 0.00 C ATOM 1222 O VAL A 81 -9.843 1.075 9.452 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.958 -0.657 9.375 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.964 -1.686 9.895 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.951 -1.348 8.452 1.00 0.00 C ATOM 0 H VAL A 81 -5.747 1.044 8.002 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.281 -0.004 7.795 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.429 -0.209 10.216 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.436 -2.465 10.445 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.678 -1.195 10.557 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.496 -2.132 9.054 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.426 -2.127 9.005 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.477 -1.794 7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.232 -0.616 8.085 1.00 0.00 H new