USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 488 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 Single : A 15 ASN : amide:sc= -1.56 K(o=-1.6,f=-0.24) USER MOD Single : A 17 GLN : amide:sc= -3.62 X(o=-3.6,f=-3.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.205 X(o=-0.2,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.551 K(o=-0.55,f=-1.5) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 99:sc= 0.807 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0357 K(o=-0.036,f=-3.3!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0.308 K(o=0.31,f=-4.1!) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0467 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 55:sc= 0.183 USER MOD Single : A 95 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 144 N LEU A 13 -4.653 18.866 10.301 1.00 0.00 N ATOM 145 CA LEU A 13 -4.144 18.437 9.010 1.00 0.00 C ATOM 146 C LEU A 13 -5.161 17.504 8.350 1.00 0.00 C ATOM 147 O LEU A 13 -5.875 16.773 9.035 1.00 0.00 O ATOM 148 CB LEU A 13 -2.752 17.820 9.161 1.00 0.00 C ATOM 149 CG LEU A 13 -1.601 18.805 9.370 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.520 18.204 10.271 1.00 0.00 C ATOM 151 CD2 LEU A 13 -1.032 19.276 8.029 1.00 0.00 C ATOM 0 HA LEU A 13 -4.018 19.293 8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.772 17.130 10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.540 17.228 8.271 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.993 19.684 9.881 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.286 18.926 10.403 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.950 17.959 11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.125 17.298 9.811 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.215 19.976 8.206 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.660 18.417 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.815 19.771 7.455 1.00 0.00 H new ATOM 163 N PRO A 14 -5.197 17.561 6.991 1.00 0.00 N ATOM 164 CA PRO A 14 -6.115 16.731 6.231 1.00 0.00 C ATOM 165 C PRO A 14 -5.636 15.278 6.191 1.00 0.00 C ATOM 166 O PRO A 14 -4.456 15.004 6.402 1.00 0.00 O ATOM 167 CB PRO A 14 -6.178 17.373 4.854 1.00 0.00 C ATOM 168 CG PRO A 14 -4.947 18.258 4.751 1.00 0.00 C ATOM 169 CD PRO A 14 -4.367 18.415 6.146 1.00 0.00 C ATOM 0 HA PRO A 14 -7.107 16.682 6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.182 16.616 4.070 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.090 17.958 4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.212 17.813 4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.210 19.231 4.335 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.322 18.107 6.177 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.403 19.453 6.475 1.00 0.00 H new ATOM 177 N ASN A 15 -6.577 14.385 5.920 1.00 0.00 N ATOM 178 CA ASN A 15 -6.266 12.968 5.851 1.00 0.00 C ATOM 179 C ASN A 15 -7.345 12.253 5.035 1.00 0.00 C ATOM 180 O ASN A 15 -8.507 12.654 5.050 1.00 0.00 O ATOM 181 CB ASN A 15 -6.235 12.342 7.246 1.00 0.00 C ATOM 182 CG ASN A 15 -7.157 13.096 8.206 1.00 0.00 C ATOM 183 OD1 ASN A 15 -8.305 12.739 8.415 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.593 14.157 8.776 1.00 0.00 N ATOM 0 H ASN A 15 -7.555 14.616 5.746 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.286 12.860 5.386 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.542 11.298 7.187 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.215 12.354 7.631 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.126 14.727 9.432 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.627 14.400 8.557 1.00 0.00 H new ATOM 191 N ARG A 16 -6.921 11.206 4.342 1.00 0.00 N ATOM 192 CA ARG A 16 -7.837 10.431 3.522 1.00 0.00 C ATOM 193 C ARG A 16 -7.386 8.971 3.458 1.00 0.00 C ATOM 194 O ARG A 16 -6.226 8.687 3.163 1.00 0.00 O ATOM 195 CB ARG A 16 -7.916 10.996 2.102 1.00 0.00 C ATOM 196 CG ARG A 16 -9.122 10.426 1.352 1.00 0.00 C ATOM 197 CD ARG A 16 -10.425 11.054 1.851 1.00 0.00 C ATOM 198 NE ARG A 16 -10.701 12.304 1.109 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.890 12.921 1.092 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.921 12.408 1.777 1.00 0.00 N ATOM 201 NH2 ARG A 16 -12.048 14.052 0.391 1.00 0.00 N ATOM 0 H ARG A 16 -5.956 10.876 4.331 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.824 10.490 3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.989 12.083 2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.001 10.758 1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.011 10.611 0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.160 9.345 1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.250 10.354 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.352 11.263 2.918 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.938 12.722 0.577 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.801 11.548 2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.826 12.878 1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.263 14.443 -0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.953 14.522 0.378 1.00 0.00 H new ATOM 215 N GLN A 17 -8.327 8.081 3.740 1.00 0.00 N ATOM 216 CA GLN A 17 -8.041 6.657 3.718 1.00 0.00 C ATOM 217 C GLN A 17 -9.078 5.920 2.868 1.00 0.00 C ATOM 218 O GLN A 17 -10.277 6.013 3.126 1.00 0.00 O ATOM 219 CB GLN A 17 -7.990 6.086 5.137 1.00 0.00 C ATOM 220 CG GLN A 17 -9.395 5.750 5.643 1.00 0.00 C ATOM 221 CD GLN A 17 -10.293 6.988 5.632 1.00 0.00 C ATOM 222 OE1 GLN A 17 -11.354 7.012 5.031 1.00 0.00 O ATOM 223 NE2 GLN A 17 -9.810 8.013 6.330 1.00 0.00 N ATOM 0 H GLN A 17 -9.288 8.319 3.985 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.060 6.511 3.267 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.371 5.189 5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.521 6.807 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.834 4.972 5.018 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.335 5.349 6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.914 7.926 6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.336 8.885 6.385 1.00 0.00 H new ATOM 232 N LEU A 18 -8.578 5.205 1.871 1.00 0.00 N ATOM 233 CA LEU A 18 -9.446 4.453 0.981 1.00 0.00 C ATOM 234 C LEU A 18 -9.467 2.986 1.415 1.00 0.00 C ATOM 235 O LEU A 18 -8.611 2.550 2.183 1.00 0.00 O ATOM 236 CB LEU A 18 -9.026 4.657 -0.476 1.00 0.00 C ATOM 237 CG LEU A 18 -8.565 6.067 -0.850 1.00 0.00 C ATOM 238 CD1 LEU A 18 -9.643 7.102 -0.519 1.00 0.00 C ATOM 239 CD2 LEU A 18 -7.227 6.401 -0.188 1.00 0.00 C ATOM 0 H LEU A 18 -7.583 5.131 1.660 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.470 4.820 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.219 3.960 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.866 4.389 -1.117 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.407 6.100 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.290 8.096 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.551 6.872 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.856 7.076 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.923 7.409 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.333 6.344 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.471 5.688 -0.516 1.00 0.00 H new ATOM 251 N LYS A 19 -10.454 2.265 0.904 1.00 0.00 N ATOM 252 CA LYS A 19 -10.598 0.856 1.230 1.00 0.00 C ATOM 253 C LYS A 19 -10.223 0.014 0.009 1.00 0.00 C ATOM 254 O LYS A 19 -10.921 0.038 -1.004 1.00 0.00 O ATOM 255 CB LYS A 19 -12.002 0.571 1.766 1.00 0.00 C ATOM 256 CG LYS A 19 -13.021 0.505 0.627 1.00 0.00 C ATOM 257 CD LYS A 19 -13.214 -0.934 0.145 1.00 0.00 C ATOM 258 CE LYS A 19 -13.722 -0.966 -1.298 1.00 0.00 C ATOM 259 NZ LYS A 19 -15.202 -0.998 -1.325 1.00 0.00 N ATOM 0 H LYS A 19 -11.162 2.630 0.267 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.914 0.578 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.002 -0.372 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.291 1.350 2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.975 0.910 0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.685 1.128 -0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.270 -1.474 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.923 -1.447 0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.361 -0.090 -1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.324 -1.842 -1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.531 -1.019 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.540 -1.847 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.576 -0.150 -0.854 1.00 0.00 H new ATOM 273 N VAL A 20 -9.122 -0.710 0.145 1.00 0.00 N ATOM 274 CA VAL A 20 -8.646 -1.558 -0.935 1.00 0.00 C ATOM 275 C VAL A 20 -9.248 -2.957 -0.783 1.00 0.00 C ATOM 276 O VAL A 20 -9.098 -3.590 0.261 1.00 0.00 O ATOM 277 CB VAL A 20 -7.116 -1.565 -0.959 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.590 -2.394 -2.133 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.562 -0.140 -1.003 1.00 0.00 C ATOM 0 H VAL A 20 -8.546 -0.727 0.986 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.971 -1.167 -1.899 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.769 -2.031 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.500 -2.383 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.943 -3.421 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.952 -1.969 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.473 -0.173 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.923 0.363 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.895 0.407 -0.121 1.00 0.00 H new ATOM 289 N LYS A 21 -9.916 -3.397 -1.839 1.00 0.00 N ATOM 290 CA LYS A 21 -10.540 -4.709 -1.835 1.00 0.00 C ATOM 291 C LYS A 21 -9.527 -5.753 -2.308 1.00 0.00 C ATOM 292 O LYS A 21 -9.589 -6.212 -3.447 1.00 0.00 O ATOM 293 CB LYS A 21 -11.831 -4.689 -2.656 1.00 0.00 C ATOM 294 CG LYS A 21 -13.061 -4.696 -1.745 1.00 0.00 C ATOM 295 CD LYS A 21 -13.754 -6.060 -1.770 1.00 0.00 C ATOM 296 CE LYS A 21 -15.274 -5.903 -1.703 1.00 0.00 C ATOM 297 NZ LYS A 21 -15.845 -5.798 -3.065 1.00 0.00 N ATOM 0 H LYS A 21 -10.039 -2.869 -2.703 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.836 -4.987 -0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.849 -3.803 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.859 -5.555 -3.317 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.764 -4.454 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.760 -3.923 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.480 -6.595 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.410 -6.663 -0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.711 -6.756 -1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.529 -5.014 -1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.878 -5.692 -3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.441 -4.970 -3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.618 -6.658 -3.604 1.00 0.00 H new ATOM 311 N VAL A 22 -8.617 -6.097 -1.409 1.00 0.00 N ATOM 312 CA VAL A 22 -7.591 -7.078 -1.720 1.00 0.00 C ATOM 313 C VAL A 22 -8.213 -8.477 -1.719 1.00 0.00 C ATOM 314 O VAL A 22 -9.426 -8.621 -1.576 1.00 0.00 O ATOM 315 CB VAL A 22 -6.423 -6.943 -0.741 1.00 0.00 C ATOM 316 CG1 VAL A 22 -5.869 -5.517 -0.744 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.837 -7.367 0.669 1.00 0.00 C ATOM 0 H VAL A 22 -8.569 -5.714 -0.465 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.184 -6.903 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.629 -7.613 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.040 -5.447 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.518 -5.265 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.654 -4.821 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.988 -7.261 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.656 -6.735 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.162 -8.407 0.655 1.00 0.00 H new ATOM 643 N GLN A 44 7.940 0.367 -1.619 1.00 0.00 N ATOM 644 CA GLN A 44 8.382 1.294 -0.591 1.00 0.00 C ATOM 645 C GLN A 44 9.123 2.474 -1.224 1.00 0.00 C ATOM 646 O GLN A 44 8.817 3.630 -0.936 1.00 0.00 O ATOM 647 CB GLN A 44 9.260 0.587 0.444 1.00 0.00 C ATOM 648 CG GLN A 44 8.835 0.956 1.866 1.00 0.00 C ATOM 649 CD GLN A 44 9.839 1.916 2.507 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.809 1.516 3.130 1.00 0.00 O ATOM 651 NE2 GLN A 44 9.554 3.202 2.320 1.00 0.00 N ATOM 0 HA GLN A 44 7.503 1.677 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.191 -0.492 0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.303 0.862 0.290 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.847 1.417 1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.753 0.053 2.471 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.726 3.469 1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.164 3.921 2.708 1.00 0.00 H new ATOM 660 N GLU A 45 10.083 2.141 -2.075 1.00 0.00 N ATOM 661 CA GLU A 45 10.869 3.159 -2.751 1.00 0.00 C ATOM 662 C GLU A 45 9.955 4.108 -3.527 1.00 0.00 C ATOM 663 O GLU A 45 10.089 5.327 -3.425 1.00 0.00 O ATOM 664 CB GLU A 45 11.911 2.523 -3.675 1.00 0.00 C ATOM 665 CG GLU A 45 13.222 2.267 -2.929 1.00 0.00 C ATOM 666 CD GLU A 45 14.130 1.326 -3.723 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.172 1.490 -4.962 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.762 0.465 -3.074 1.00 0.00 O ATOM 0 H GLU A 45 10.334 1.181 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 45 11.404 3.737 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.525 1.584 -4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.095 3.178 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.736 3.212 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.010 1.834 -1.951 1.00 0.00 H new ATOM 675 N ALA A 46 9.045 3.514 -4.286 1.00 0.00 N ATOM 676 CA ALA A 46 8.109 4.292 -5.079 1.00 0.00 C ATOM 677 C ALA A 46 7.414 5.317 -4.180 1.00 0.00 C ATOM 678 O ALA A 46 7.687 6.513 -4.270 1.00 0.00 O ATOM 679 CB ALA A 46 7.116 3.351 -5.765 1.00 0.00 C ATOM 0 H ALA A 46 8.936 2.503 -4.368 1.00 0.00 H new ATOM 0 HA ALA A 46 8.633 4.841 -5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.413 3.934 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.657 2.662 -6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.570 2.785 -5.010 1.00 0.00 H new ATOM 685 N ILE A 47 6.529 4.811 -3.334 1.00 0.00 N ATOM 686 CA ILE A 47 5.793 5.667 -2.419 1.00 0.00 C ATOM 687 C ILE A 47 6.778 6.555 -1.655 1.00 0.00 C ATOM 688 O ILE A 47 6.527 7.744 -1.463 1.00 0.00 O ATOM 689 CB ILE A 47 4.888 4.831 -1.513 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.820 4.100 -2.329 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.275 5.691 -0.406 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.476 2.750 -1.698 1.00 0.00 C ATOM 0 H ILE A 47 6.305 3.818 -3.263 1.00 0.00 H new ATOM 0 HA ILE A 47 5.127 6.330 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 47 5.499 4.070 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.922 4.715 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.176 3.949 -3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.636 5.072 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.070 6.125 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.681 6.489 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.715 2.251 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.371 2.129 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.097 2.906 -0.688 1.00 0.00 H new ATOM 704 N ASN A 48 7.877 5.943 -1.239 1.00 0.00 N ATOM 705 CA ASN A 48 8.900 6.662 -0.500 1.00 0.00 C ATOM 706 C ASN A 48 9.373 7.860 -1.327 1.00 0.00 C ATOM 707 O ASN A 48 9.769 8.884 -0.772 1.00 0.00 O ATOM 708 CB ASN A 48 10.112 5.770 -0.225 1.00 0.00 C ATOM 709 CG ASN A 48 11.323 6.604 0.195 1.00 0.00 C ATOM 710 OD1 ASN A 48 11.215 7.588 0.908 1.00 0.00 O ATOM 711 ND2 ASN A 48 12.481 6.157 -0.285 1.00 0.00 N ATOM 0 H ASN A 48 8.081 4.957 -1.400 1.00 0.00 H new ATOM 0 HA ASN A 48 8.467 6.984 0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.870 5.053 0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.355 5.195 -1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.348 6.645 -0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.501 5.326 -0.877 1.00 0.00 H new ATOM 718 N ASP A 49 9.316 7.692 -2.640 1.00 0.00 N ATOM 719 CA ASP A 49 9.733 8.746 -3.548 1.00 0.00 C ATOM 720 C ASP A 49 8.613 9.782 -3.670 1.00 0.00 C ATOM 721 O ASP A 49 8.878 10.974 -3.817 1.00 0.00 O ATOM 722 CB ASP A 49 10.016 8.190 -4.945 1.00 0.00 C ATOM 723 CG ASP A 49 11.074 8.954 -5.743 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.648 9.902 -5.163 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.286 8.574 -6.915 1.00 0.00 O ATOM 0 H ASP A 49 8.987 6.841 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 49 10.642 9.195 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.335 7.152 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.086 8.187 -5.514 1.00 0.00 H new ATOM 730 N LEU A 50 7.385 9.289 -3.604 1.00 0.00 N ATOM 731 CA LEU A 50 6.224 10.156 -3.705 1.00 0.00 C ATOM 732 C LEU A 50 6.019 10.883 -2.375 1.00 0.00 C ATOM 733 O LEU A 50 5.436 11.966 -2.338 1.00 0.00 O ATOM 734 CB LEU A 50 5.001 9.362 -4.167 1.00 0.00 C ATOM 735 CG LEU A 50 4.829 9.214 -5.680 1.00 0.00 C ATOM 736 CD1 LEU A 50 4.161 7.882 -6.028 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.071 10.407 -6.266 1.00 0.00 C ATOM 0 H LEU A 50 7.169 8.300 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 50 6.384 10.921 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.053 8.366 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.108 9.841 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 50 5.819 9.207 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.050 7.802 -7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.777 7.060 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.179 7.834 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.963 10.276 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.084 10.472 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.625 11.324 -6.066 1.00 0.00 H new ATOM 749 N VAL A 51 6.509 10.259 -1.314 1.00 0.00 N ATOM 750 CA VAL A 51 6.386 10.833 0.015 1.00 0.00 C ATOM 751 C VAL A 51 7.449 11.919 0.197 1.00 0.00 C ATOM 752 O VAL A 51 7.280 12.829 1.007 1.00 0.00 O ATOM 753 CB VAL A 51 6.472 9.730 1.072 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.552 10.324 2.480 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.293 8.762 0.951 1.00 0.00 C ATOM 0 H VAL A 51 6.992 9.361 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 51 5.412 11.307 0.137 1.00 0.00 H new ATOM 0 HB VAL A 51 7.388 9.166 0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.612 9.518 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.438 10.954 2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.663 10.924 2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.378 7.988 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.359 9.307 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.301 8.301 -0.037 1.00 0.00 H new ATOM 765 N LYS A 52 8.521 11.787 -0.571 1.00 0.00 N ATOM 766 CA LYS A 52 9.611 12.746 -0.505 1.00 0.00 C ATOM 767 C LYS A 52 9.431 13.793 -1.606 1.00 0.00 C ATOM 768 O LYS A 52 10.063 14.848 -1.573 1.00 0.00 O ATOM 769 CB LYS A 52 10.960 12.027 -0.555 1.00 0.00 C ATOM 770 CG LYS A 52 11.297 11.397 0.798 1.00 0.00 C ATOM 771 CD LYS A 52 12.656 11.881 1.306 1.00 0.00 C ATOM 772 CE LYS A 52 12.489 12.857 2.473 1.00 0.00 C ATOM 773 NZ LYS A 52 13.694 13.704 2.616 1.00 0.00 N ATOM 0 H LYS A 52 8.658 11.031 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 52 9.594 13.278 0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.936 11.255 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.742 12.733 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.523 11.649 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.305 10.311 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.255 11.027 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.199 12.367 0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.613 13.485 2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.315 12.304 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.564 14.361 3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.523 13.102 2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.843 14.246 1.741 1.00 0.00 H new ATOM 787 N LYS A 53 8.565 13.466 -2.554 1.00 0.00 N ATOM 788 CA LYS A 53 8.293 14.365 -3.662 1.00 0.00 C ATOM 789 C LYS A 53 7.196 15.351 -3.257 1.00 0.00 C ATOM 790 O LYS A 53 7.043 16.403 -3.875 1.00 0.00 O ATOM 791 CB LYS A 53 7.969 13.571 -4.929 1.00 0.00 C ATOM 792 CG LYS A 53 9.248 13.179 -5.673 1.00 0.00 C ATOM 793 CD LYS A 53 9.244 13.731 -7.099 1.00 0.00 C ATOM 794 CE LYS A 53 7.957 13.347 -7.832 1.00 0.00 C ATOM 795 NZ LYS A 53 8.254 12.429 -8.955 1.00 0.00 N ATOM 0 H LYS A 53 8.042 12.590 -2.577 1.00 0.00 H new ATOM 0 HA LYS A 53 9.179 14.954 -3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.407 12.674 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.332 14.167 -5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.117 13.558 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.339 12.093 -5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.342 14.816 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.106 13.346 -7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.265 12.870 -7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.464 14.244 -8.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.370 12.178 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.897 12.897 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.704 11.566 -8.588 1.00 0.00 H new ATOM 809 N TYR A 54 6.461 14.975 -2.221 1.00 0.00 N ATOM 810 CA TYR A 54 5.382 15.813 -1.725 1.00 0.00 C ATOM 811 C TYR A 54 5.815 16.583 -0.476 1.00 0.00 C ATOM 812 O TYR A 54 6.896 16.346 0.060 1.00 0.00 O ATOM 813 CB TYR A 54 4.244 14.860 -1.354 1.00 0.00 C ATOM 814 CG TYR A 54 3.394 14.412 -2.545 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.004 14.002 -3.713 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.017 14.417 -2.451 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.204 13.580 -4.833 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.217 13.996 -3.571 1.00 0.00 C ATOM 819 CZ TYR A 54 1.850 13.598 -4.707 1.00 0.00 C ATOM 820 OH TYR A 54 1.094 13.200 -5.766 1.00 0.00 O ATOM 0 H TYR A 54 6.591 14.101 -1.711 1.00 0.00 H new ATOM 0 HA TYR A 54 5.086 16.543 -2.478 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.665 13.979 -0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.599 15.348 -0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.081 13.998 -3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.540 14.737 -1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.669 13.256 -5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.139 13.996 -3.511 1.00 0.00 H new ATOM 0 HH TYR A 54 0.815 12.270 -5.637 1.00 0.00 H new ATOM 830 N THR A 55 4.947 17.488 -0.047 1.00 0.00 N ATOM 831 CA THR A 55 5.226 18.294 1.129 1.00 0.00 C ATOM 832 C THR A 55 4.642 17.633 2.379 1.00 0.00 C ATOM 833 O THR A 55 3.433 17.422 2.467 1.00 0.00 O ATOM 834 CB THR A 55 4.685 19.702 0.877 1.00 0.00 C ATOM 835 OG1 THR A 55 5.771 20.387 0.260 1.00 0.00 O ATOM 836 CG2 THR A 55 4.443 20.478 2.173 1.00 0.00 C ATOM 0 H THR A 55 4.050 17.681 -0.493 1.00 0.00 H new ATOM 0 HA THR A 55 6.298 18.370 1.311 1.00 0.00 H new ATOM 0 HB THR A 55 3.754 19.636 0.314 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.505 21.309 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.059 21.470 1.937 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.717 19.945 2.786 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.380 20.572 2.721 1.00 0.00 H new ATOM 844 N LEU A 56 5.527 17.325 3.315 1.00 0.00 N ATOM 845 CA LEU A 56 5.114 16.692 4.556 1.00 0.00 C ATOM 846 C LEU A 56 4.078 15.609 4.251 1.00 0.00 C ATOM 847 O LEU A 56 2.942 15.683 4.717 1.00 0.00 O ATOM 848 CB LEU A 56 4.630 17.742 5.558 1.00 0.00 C ATOM 849 CG LEU A 56 5.699 18.687 6.109 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.054 17.984 6.207 1.00 0.00 C ATOM 851 CD2 LEU A 56 5.778 19.970 5.278 1.00 0.00 C ATOM 0 H LEU A 56 6.529 17.502 3.239 1.00 0.00 H new ATOM 0 HA LEU A 56 5.961 16.198 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.855 18.341 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.162 17.226 6.397 1.00 0.00 H new ATOM 0 HG LEU A 56 5.412 18.975 7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.796 18.678 6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.971 17.125 6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.362 17.648 5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.546 20.624 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.030 19.721 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.815 20.480 5.303 1.00 0.00 H new ATOM 863 N ALA A 57 4.506 14.627 3.471 1.00 0.00 N ATOM 864 CA ALA A 57 3.630 13.530 3.099 1.00 0.00 C ATOM 865 C ALA A 57 4.011 12.284 3.899 1.00 0.00 C ATOM 866 O ALA A 57 5.129 12.183 4.403 1.00 0.00 O ATOM 867 CB ALA A 57 3.712 13.301 1.588 1.00 0.00 C ATOM 0 H ALA A 57 5.449 14.569 3.086 1.00 0.00 H new ATOM 0 HA ALA A 57 2.594 13.769 3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.055 12.478 1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.402 14.206 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.738 13.056 1.312 1.00 0.00 H new ATOM 873 N ARG A 58 3.061 11.365 3.992 1.00 0.00 N ATOM 874 CA ARG A 58 3.283 10.129 4.723 1.00 0.00 C ATOM 875 C ARG A 58 2.168 9.126 4.423 1.00 0.00 C ATOM 876 O ARG A 58 0.989 9.475 4.457 1.00 0.00 O ATOM 877 CB ARG A 58 3.338 10.384 6.231 1.00 0.00 C ATOM 878 CG ARG A 58 4.762 10.212 6.765 1.00 0.00 C ATOM 879 CD ARG A 58 4.940 10.944 8.096 1.00 0.00 C ATOM 880 NE ARG A 58 6.213 11.700 8.092 1.00 0.00 N ATOM 881 CZ ARG A 58 7.418 11.142 8.267 1.00 0.00 C ATOM 882 NH1 ARG A 58 7.523 9.820 8.462 1.00 0.00 N ATOM 883 NH2 ARG A 58 8.519 11.906 8.248 1.00 0.00 N ATOM 0 H ARG A 58 2.135 11.452 3.573 1.00 0.00 H new ATOM 0 HA ARG A 58 4.240 9.720 4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.985 11.392 6.446 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.668 9.695 6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.979 9.152 6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.476 10.596 6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.104 11.624 8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.935 10.228 8.918 1.00 0.00 H new ATOM 0 HE ARG A 58 6.170 12.709 7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.685 9.239 8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.441 9.395 8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.439 12.912 8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.437 11.481 8.381 1.00 0.00 H new ATOM 897 N ALA A 59 2.579 7.901 4.134 1.00 0.00 N ATOM 898 CA ALA A 59 1.630 6.845 3.827 1.00 0.00 C ATOM 899 C ALA A 59 1.900 5.642 4.734 1.00 0.00 C ATOM 900 O ALA A 59 3.044 5.383 5.103 1.00 0.00 O ATOM 901 CB ALA A 59 1.724 6.488 2.343 1.00 0.00 C ATOM 0 H ALA A 59 3.558 7.616 4.106 1.00 0.00 H new ATOM 0 HA ALA A 59 0.610 7.180 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.012 5.696 2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.494 7.368 1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.733 6.146 2.114 1.00 0.00 H new ATOM 907 N PHE A 60 0.826 4.940 5.068 1.00 0.00 N ATOM 908 CA PHE A 60 0.933 3.772 5.924 1.00 0.00 C ATOM 909 C PHE A 60 -0.013 2.663 5.460 1.00 0.00 C ATOM 910 O PHE A 60 -0.656 2.786 4.418 1.00 0.00 O ATOM 911 CB PHE A 60 0.532 4.212 7.334 1.00 0.00 C ATOM 912 CG PHE A 60 1.715 4.426 8.280 1.00 0.00 C ATOM 913 CD1 PHE A 60 2.747 3.540 8.289 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.735 5.501 9.112 1.00 0.00 C ATOM 915 CE1 PHE A 60 3.845 3.738 9.167 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.833 5.700 9.990 1.00 0.00 C ATOM 917 CZ PHE A 60 3.865 4.814 9.999 1.00 0.00 C ATOM 0 H PHE A 60 -0.122 5.158 4.761 1.00 0.00 H new ATOM 0 HA PHE A 60 1.950 3.381 5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.038 5.139 7.266 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.131 3.461 7.763 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.731 2.686 7.628 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.915 6.204 9.105 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.664 3.034 9.174 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.849 6.554 10.650 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.700 4.965 10.667 1.00 0.00 H new ATOM 927 N VAL A 61 -0.070 1.605 6.256 1.00 0.00 N ATOM 928 CA VAL A 61 -0.927 0.475 5.939 1.00 0.00 C ATOM 929 C VAL A 61 -1.501 -0.103 7.234 1.00 0.00 C ATOM 930 O VAL A 61 -0.796 -0.207 8.237 1.00 0.00 O ATOM 931 CB VAL A 61 -0.152 -0.556 5.116 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.202 -0.217 3.625 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.294 -0.671 5.604 1.00 0.00 C ATOM 0 H VAL A 61 0.463 1.507 7.120 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.768 0.795 5.324 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.631 -1.525 5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.357 -0.965 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.239 -0.209 3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.240 0.765 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.823 -1.410 5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.788 0.296 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.302 -0.981 6.649 1.00 0.00 H new ATOM 1059 N VAL A 70 -9.056 -3.854 3.179 1.00 0.00 N ATOM 1060 CA VAL A 70 -7.977 -3.141 3.841 1.00 0.00 C ATOM 1061 C VAL A 70 -8.145 -1.638 3.607 1.00 0.00 C ATOM 1062 O VAL A 70 -8.728 -1.223 2.607 1.00 0.00 O ATOM 1063 CB VAL A 70 -6.625 -3.673 3.360 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -5.473 -2.854 3.945 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -6.469 -5.157 3.697 1.00 0.00 C ATOM 0 HA VAL A 70 -8.013 -3.309 4.917 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.591 -3.570 2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.524 -3.253 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.570 -1.814 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.503 -2.910 5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.500 -5.510 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.534 -5.294 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.261 -5.726 3.211 1.00 0.00 H new ATOM 1075 N ARG A 71 -7.624 -0.863 4.547 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.709 0.585 4.456 1.00 0.00 C ATOM 1077 C ARG A 71 -6.310 1.191 4.325 1.00 0.00 C ATOM 1078 O ARG A 71 -5.432 0.918 5.142 1.00 0.00 O ATOM 1079 CB ARG A 71 -8.400 1.174 5.686 1.00 0.00 C ATOM 1080 CG ARG A 71 -7.941 0.469 6.964 1.00 0.00 C ATOM 1081 CD ARG A 71 -8.386 1.242 8.207 1.00 0.00 C ATOM 1082 NE ARG A 71 -7.390 2.285 8.539 1.00 0.00 N ATOM 1083 CZ ARG A 71 -7.462 3.077 9.617 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -8.484 2.950 10.475 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -6.513 3.996 9.838 1.00 0.00 N ATOM 0 H ARG A 71 -7.141 -1.211 5.376 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.298 0.828 3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.180 2.239 5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.481 1.077 5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.350 -0.541 6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.855 0.373 6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.359 1.700 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.503 0.558 9.048 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.599 2.409 7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.207 2.250 10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.539 3.553 11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.735 4.093 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.568 4.599 10.659 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.146 2.003 3.291 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.870 2.651 3.043 1.00 0.00 C ATOM 1101 C VAL A 72 -4.847 4.010 3.745 1.00 0.00 C ATOM 1102 O VAL A 72 -5.782 4.798 3.609 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.618 2.751 1.537 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -3.641 3.885 1.219 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.114 1.420 0.976 1.00 0.00 C ATOM 0 H VAL A 72 -6.876 2.227 2.615 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.054 2.058 3.457 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.567 2.981 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.479 3.934 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.056 4.831 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.691 3.698 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.943 1.518 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.181 1.147 1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.859 0.644 1.155 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.770 4.243 4.480 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.614 5.494 5.203 1.00 0.00 C ATOM 1117 C TYR A 73 -2.630 6.422 4.488 1.00 0.00 C ATOM 1118 O TYR A 73 -1.622 5.967 3.948 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.041 5.121 6.572 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.655 5.900 7.736 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.026 6.023 7.838 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -2.838 6.481 8.685 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.603 6.757 8.935 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.415 7.214 9.781 1.00 0.00 C ATOM 1125 CZ TYR A 73 -4.770 7.316 9.852 1.00 0.00 C ATOM 1126 OH TYR A 73 -5.315 8.009 10.887 1.00 0.00 O ATOM 0 H TYR A 73 -2.997 3.587 4.591 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.568 6.016 5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.194 4.055 6.741 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.964 5.291 6.562 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.666 5.569 7.096 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.765 6.385 8.605 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.674 6.861 9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.787 7.673 10.530 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.600 8.351 11.464 1.00 0.00 H new ATOM 1136 N ALA A 74 -2.957 7.706 4.506 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.114 8.701 3.865 1.00 0.00 C ATOM 1138 C ALA A 74 -2.564 10.098 4.298 1.00 0.00 C ATOM 1139 O ALA A 74 -3.750 10.328 4.531 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.167 8.516 2.348 1.00 0.00 C ATOM 0 H ALA A 74 -3.794 8.080 4.954 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.075 8.578 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.534 9.263 1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.810 7.519 2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.194 8.635 2.003 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.594 10.995 4.392 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.875 12.363 4.793 1.00 0.00 C ATOM 1148 C GLU A 75 -0.942 13.332 4.064 1.00 0.00 C ATOM 1149 O GLU A 75 -0.021 12.908 3.368 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.759 12.526 6.310 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.319 12.302 6.776 1.00 0.00 C ATOM 1152 CD GLU A 75 -0.208 12.434 8.296 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.743 11.538 8.984 1.00 0.00 O ATOM 1154 OE2 GLU A 75 0.409 13.428 8.736 1.00 0.00 O ATOM 0 H GLU A 75 -0.612 10.801 4.197 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.902 12.599 4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.087 13.525 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.421 11.817 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.017 11.312 6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.339 13.026 6.295 1.00 0.00 H new ATOM 1161 N ALA A 76 -1.212 14.616 4.250 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.408 15.649 3.619 1.00 0.00 C ATOM 1163 C ALA A 76 -0.695 16.994 4.290 1.00 0.00 C ATOM 1164 O ALA A 76 -1.738 17.168 4.917 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.696 15.674 2.117 1.00 0.00 C ATOM 0 H ALA A 76 -1.976 14.964 4.829 1.00 0.00 H new ATOM 0 HA ALA A 76 0.654 15.438 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.093 16.449 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.448 14.705 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.753 15.886 1.953 1.00 0.00 H new ATOM 1171 N ASN A 77 0.250 17.909 4.136 1.00 0.00 N ATOM 1172 CA ASN A 77 0.112 19.233 4.719 1.00 0.00 C ATOM 1173 C ASN A 77 -1.074 19.950 4.072 1.00 0.00 C ATOM 1174 O ASN A 77 -1.601 20.912 4.628 1.00 0.00 O ATOM 1175 CB ASN A 77 1.365 20.076 4.474 1.00 0.00 C ATOM 1176 CG ASN A 77 1.404 21.285 5.410 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.592 21.434 6.308 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.392 22.138 5.152 1.00 0.00 N ATOM 0 H ASN A 77 1.115 17.760 3.616 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.039 19.114 5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.254 19.465 4.627 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.384 20.413 3.438 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.504 22.977 5.722 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.038 21.953 4.384 1.00 0.00 H new ATOM 1185 N SER A 78 -1.460 19.453 2.905 1.00 0.00 N ATOM 1186 CA SER A 78 -2.575 20.034 2.176 1.00 0.00 C ATOM 1187 C SER A 78 -3.674 18.988 1.981 1.00 0.00 C ATOM 1188 O SER A 78 -3.392 17.794 1.900 1.00 0.00 O ATOM 1189 CB SER A 78 -2.120 20.585 0.823 1.00 0.00 C ATOM 1190 OG SER A 78 -0.751 20.979 0.840 1.00 0.00 O ATOM 0 H SER A 78 -1.020 18.655 2.447 1.00 0.00 H new ATOM 0 HA SER A 78 -2.972 20.864 2.761 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.270 19.827 0.054 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.740 21.440 0.553 1.00 0.00 H new ATOM 0 HG SER A 78 -0.499 21.323 -0.042 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.904 19.476 1.912 1.00 0.00 N ATOM 1197 CA GLN A 79 -6.048 18.598 1.728 1.00 0.00 C ATOM 1198 C GLN A 79 -6.074 18.053 0.298 1.00 0.00 C ATOM 1199 O GLN A 79 -6.677 17.013 0.038 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.354 19.321 2.063 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.607 20.475 1.090 1.00 0.00 C ATOM 1202 CD GLN A 79 -7.393 21.826 1.775 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -6.314 22.151 2.242 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -8.480 22.592 1.810 1.00 0.00 N ATOM 0 H GLN A 79 -5.134 20.467 1.980 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.950 17.757 2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.185 18.617 2.021 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.311 19.703 3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.938 20.387 0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.625 20.415 0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.352 22.259 1.400 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.441 23.513 2.247 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.412 18.780 -0.590 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.352 18.383 -1.987 1.00 0.00 C ATOM 1215 C GLU A 80 -4.416 17.185 -2.158 1.00 0.00 C ATOM 1216 O GLU A 80 -4.770 16.204 -2.809 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.915 19.552 -2.871 1.00 0.00 C ATOM 1218 CG GLU A 80 -6.064 20.023 -3.765 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.565 20.344 -5.175 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -4.745 19.548 -5.682 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -6.015 21.378 -5.714 1.00 0.00 O ATOM 0 H GLU A 80 -4.913 19.642 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.352 18.086 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.574 20.377 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.069 19.249 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.832 19.251 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.529 20.907 -3.330 1.00 0.00 H new ATOM 1228 N SER A 81 -3.238 17.305 -1.562 1.00 0.00 N ATOM 1229 CA SER A 81 -2.248 16.245 -1.640 1.00 0.00 C ATOM 1230 C SER A 81 -2.678 15.062 -0.770 1.00 0.00 C ATOM 1231 O SER A 81 -2.398 13.911 -1.099 1.00 0.00 O ATOM 1232 CB SER A 81 -0.869 16.747 -1.210 1.00 0.00 C ATOM 1233 OG SER A 81 -0.844 18.161 -1.038 1.00 0.00 O ATOM 0 H SER A 81 -2.948 18.121 -1.023 1.00 0.00 H new ATOM 0 HA SER A 81 -2.178 15.918 -2.677 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.582 16.263 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.130 16.460 -1.958 1.00 0.00 H new ATOM 0 HG SER A 81 0.054 18.441 -0.762 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.352 15.387 0.324 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.823 14.366 1.244 1.00 0.00 C ATOM 1241 C ALA A 82 -4.562 13.281 0.459 1.00 0.00 C ATOM 1242 O ALA A 82 -4.211 12.105 0.537 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.703 15.012 2.316 1.00 0.00 C ATOM 0 H ALA A 82 -3.583 16.343 0.594 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.984 13.891 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.057 14.246 3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.123 15.755 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.557 15.496 1.842 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.573 13.714 -0.280 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.365 12.794 -1.078 1.00 0.00 C ATOM 1251 C ASP A 83 -5.500 12.232 -2.208 1.00 0.00 C ATOM 1252 O ASP A 83 -5.494 11.025 -2.447 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.564 13.505 -1.710 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.890 12.746 -1.613 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.886 11.549 -1.971 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.877 13.381 -1.184 1.00 0.00 O ATOM 0 H ASP A 83 -5.862 14.690 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.721 11.999 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.684 14.478 -1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.345 13.690 -2.761 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.792 13.132 -2.873 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.925 12.741 -3.971 1.00 0.00 C ATOM 1263 C ARG A 84 -3.085 11.524 -3.577 1.00 0.00 C ATOM 1264 O ARG A 84 -3.215 10.456 -4.173 1.00 0.00 O ATOM 1265 CB ARG A 84 -2.994 13.886 -4.374 1.00 0.00 C ATOM 1266 CG ARG A 84 -2.338 13.610 -5.728 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.481 14.813 -6.662 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.218 14.402 -8.060 1.00 0.00 N ATOM 1269 CZ ARG A 84 -3.059 13.663 -8.797 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -4.221 13.249 -8.274 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -2.737 13.338 -10.056 1.00 0.00 N ATOM 0 H ARG A 84 -4.801 14.132 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.560 12.489 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.558 14.818 -4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.224 14.018 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.282 13.380 -5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.796 12.733 -6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.484 15.231 -6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.784 15.598 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.342 14.700 -8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.466 13.496 -7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.861 12.687 -8.835 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.852 13.653 -10.454 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.377 12.776 -10.617 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.242 11.727 -2.576 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.381 10.660 -2.095 1.00 0.00 C ATOM 1287 C LEU A 85 -2.229 9.425 -1.787 1.00 0.00 C ATOM 1288 O LEU A 85 -2.032 8.367 -2.382 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.542 11.141 -0.909 1.00 0.00 C ATOM 1290 CG LEU A 85 0.779 10.404 -0.679 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.820 10.804 -1.727 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.288 10.624 0.747 1.00 0.00 C ATOM 0 H LEU A 85 -2.137 12.615 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.666 10.372 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.325 12.200 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.145 11.056 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 85 0.599 9.335 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.749 10.266 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.450 10.555 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.004 11.877 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.228 10.090 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.448 11.689 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.551 10.250 1.458 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.157 9.601 -0.857 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.036 8.514 -0.462 1.00 0.00 C ATOM 1306 C ALA A 86 -4.503 7.762 -1.710 1.00 0.00 C ATOM 1307 O ALA A 86 -4.166 6.594 -1.898 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.204 9.072 0.353 1.00 0.00 C ATOM 0 H ALA A 86 -3.319 10.480 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.506 7.803 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.863 8.256 0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.821 9.571 1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.761 9.787 -0.252 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.272 8.463 -2.531 1.00 0.00 N ATOM 1315 CA TYR A 87 -5.788 7.877 -3.756 1.00 0.00 C ATOM 1316 C TYR A 87 -4.686 7.136 -4.516 1.00 0.00 C ATOM 1317 O TYR A 87 -4.820 5.949 -4.812 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.281 9.047 -4.609 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.925 8.626 -5.931 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.728 7.505 -5.981 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -6.702 9.367 -7.074 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -8.334 7.109 -7.226 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -7.309 8.971 -8.319 1.00 0.00 C ATOM 1324 CZ TYR A 87 -8.095 7.861 -8.333 1.00 0.00 C ATOM 1325 OH TYR A 87 -8.667 7.487 -9.509 1.00 0.00 O ATOM 0 H TYR A 87 -5.550 9.431 -2.371 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.578 7.159 -3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.004 9.624 -4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.441 9.708 -4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.902 6.925 -5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -6.072 10.244 -7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.965 6.234 -7.279 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.144 9.542 -9.220 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.409 8.118 -10.213 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.621 7.867 -4.812 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.496 7.294 -5.532 1.00 0.00 C ATOM 1337 C GLU A 88 -2.063 5.979 -4.881 1.00 0.00 C ATOM 1338 O GLU A 88 -2.036 4.937 -5.535 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.330 8.281 -5.602 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.609 9.389 -6.619 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.442 10.376 -6.690 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.409 11.278 -5.825 1.00 0.00 O ATOM 1343 OE2 GLU A 88 0.390 10.207 -7.607 1.00 0.00 O ATOM 0 H GLU A 88 -3.513 8.851 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.813 7.084 -6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.161 8.720 -4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.417 7.752 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.779 8.950 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.521 9.918 -6.344 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.736 6.069 -3.600 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.306 4.900 -2.853 1.00 0.00 C ATOM 1352 C VAL A 89 -2.324 3.774 -3.046 1.00 0.00 C ATOM 1353 O VAL A 89 -2.009 2.742 -3.638 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.092 5.267 -1.383 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -0.900 4.013 -0.527 1.00 0.00 C ATOM 1356 CG2 VAL A 89 0.089 6.226 -1.224 1.00 0.00 C ATOM 0 H VAL A 89 -1.760 6.934 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.348 4.540 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.988 5.778 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.750 4.302 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.785 3.381 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.028 3.462 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.219 6.471 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.995 5.753 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.105 7.139 -1.787 1.00 0.00 H new ATOM 1366 N SER A 90 -3.523 4.010 -2.535 1.00 0.00 N ATOM 1367 CA SER A 90 -4.589 3.028 -2.644 1.00 0.00 C ATOM 1368 C SER A 90 -4.549 2.363 -4.022 1.00 0.00 C ATOM 1369 O SER A 90 -4.644 1.141 -4.128 1.00 0.00 O ATOM 1370 CB SER A 90 -5.957 3.671 -2.405 1.00 0.00 C ATOM 1371 OG SER A 90 -6.028 4.990 -2.941 1.00 0.00 O ATOM 0 H SER A 90 -3.780 4.866 -2.044 1.00 0.00 H new ATOM 0 HA SER A 90 -4.435 2.269 -1.877 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.732 3.053 -2.858 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.160 3.703 -1.335 1.00 0.00 H new ATOM 0 HG SER A 90 -5.787 4.971 -3.891 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.409 3.196 -5.042 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.356 2.704 -6.408 1.00 0.00 C ATOM 1379 C LEU A 91 -3.071 1.897 -6.605 1.00 0.00 C ATOM 1380 O LEU A 91 -3.098 0.811 -7.182 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.515 3.858 -7.400 1.00 0.00 C ATOM 1382 CG LEU A 91 -5.924 4.074 -7.956 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.019 5.404 -8.708 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.358 2.892 -8.826 1.00 0.00 C ATOM 0 H LEU A 91 -4.331 4.209 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.190 2.030 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.193 4.778 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.838 3.688 -8.237 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.617 4.128 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.031 5.533 -9.093 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.782 6.223 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.312 5.404 -9.538 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.363 3.071 -9.208 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.666 2.782 -9.661 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.354 1.980 -8.229 1.00 0.00 H new ATOM 1396 N LEU A 92 -1.976 2.459 -6.114 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.683 1.806 -6.229 1.00 0.00 C ATOM 1398 C LEU A 92 -0.809 0.353 -5.766 1.00 0.00 C ATOM 1399 O LEU A 92 -0.384 -0.565 -6.466 1.00 0.00 O ATOM 1400 CB LEU A 92 0.387 2.600 -5.479 1.00 0.00 C ATOM 1401 CG LEU A 92 1.103 3.687 -6.284 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.943 4.582 -5.370 1.00 0.00 C ATOM 1403 CD2 LEU A 92 1.938 3.074 -7.410 1.00 0.00 C ATOM 0 H LEU A 92 -1.958 3.360 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.358 1.783 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.077 3.066 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.135 1.901 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 92 0.348 4.320 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.441 5.346 -5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.296 5.061 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.691 3.978 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.436 3.868 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.686 2.404 -6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.288 2.513 -8.081 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.393 0.189 -4.588 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.579 -1.137 -4.023 1.00 0.00 C ATOM 1417 C VAL A 93 -2.477 -1.959 -4.949 1.00 0.00 C ATOM 1418 O VAL A 93 -2.035 -2.949 -5.530 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.129 -1.026 -2.599 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -1.995 -2.356 -1.855 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.440 0.104 -1.832 1.00 0.00 C ATOM 0 H VAL A 93 -1.744 0.952 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.625 -1.659 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.190 -0.786 -2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.393 -2.250 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.553 -3.128 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.944 -2.639 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.849 0.161 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.369 -0.093 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.610 1.050 -2.347 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.723 -1.520 -5.056 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.687 -2.204 -5.902 1.00 0.00 C ATOM 1433 C PHE A 94 -4.029 -2.707 -7.188 1.00 0.00 C ATOM 1434 O PHE A 94 -4.342 -3.797 -7.664 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.768 -1.183 -6.262 1.00 0.00 C ATOM 1436 CG PHE A 94 -7.086 -1.809 -6.724 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -7.980 -2.266 -5.806 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -7.363 -1.909 -8.052 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -9.202 -2.847 -6.235 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -8.585 -2.490 -8.480 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.479 -2.947 -7.563 1.00 0.00 C ATOM 0 H PHE A 94 -4.087 -0.700 -4.571 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.099 -3.065 -5.376 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.962 -0.553 -5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.391 -0.532 -7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.760 -2.187 -4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.653 -1.546 -8.781 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.912 -3.210 -5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.805 -2.569 -9.534 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.409 -3.389 -7.889 1.00 0.00 H new ATOM 1451 N GLN A 95 -3.128 -1.889 -7.713 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.423 -2.238 -8.935 1.00 0.00 C ATOM 1453 C GLN A 95 -1.314 -3.249 -8.637 1.00 0.00 C ATOM 1454 O GLN A 95 -1.249 -4.306 -9.262 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.860 -0.991 -9.618 1.00 0.00 C ATOM 1456 CG GLN A 95 -2.798 -0.500 -10.724 1.00 0.00 C ATOM 1457 CD GLN A 95 -2.290 -0.926 -12.103 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -1.292 -1.615 -12.240 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -3.031 -0.480 -13.113 1.00 0.00 N ATOM 0 H GLN A 95 -2.870 -0.986 -7.315 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.132 -2.699 -9.622 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.717 -0.201 -8.880 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.880 -1.214 -10.040 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.799 -0.900 -10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.879 0.586 -10.682 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.854 0.093 -12.927 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.776 -0.711 -14.073 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.468 -2.887 -7.684 1.00 0.00 N ATOM 1469 CA LEU A 96 0.635 -3.749 -7.296 1.00 0.00 C ATOM 1470 C LEU A 96 0.084 -5.094 -6.820 1.00 0.00 C ATOM 1471 O LEU A 96 0.194 -6.098 -7.523 1.00 0.00 O ATOM 1472 CB LEU A 96 1.524 -3.050 -6.265 1.00 0.00 C ATOM 1473 CG LEU A 96 3.029 -3.288 -6.405 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.733 -2.044 -6.950 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.636 -3.756 -5.081 1.00 0.00 C ATOM 0 H LEU A 96 -0.524 -2.008 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 96 1.278 -3.953 -8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.339 -1.977 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.216 -3.373 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 96 3.182 -4.088 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.801 -2.240 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.326 -1.796 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.574 -1.208 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.706 -3.918 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.472 -2.996 -4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.162 -4.688 -4.773 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.499 -5.072 -5.630 1.00 0.00 N ATOM 1488 CA ALA A 97 -1.068 -6.278 -5.053 1.00 0.00 C ATOM 1489 C ALA A 97 -2.009 -6.929 -6.069 1.00 0.00 C ATOM 1490 O ALA A 97 -1.961 -8.140 -6.277 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.776 -5.931 -3.742 1.00 0.00 C ATOM 0 H ALA A 97 -0.589 -4.238 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.284 -6.999 -4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.203 -6.835 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.059 -5.498 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.571 -5.212 -3.937 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.842 -6.096 -6.674 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.793 -6.576 -7.663 1.00 0.00 C ATOM 1499 C GLY A 98 -5.188 -6.731 -7.053 1.00 0.00 C ATOM 1500 O GLY A 98 -5.798 -7.794 -7.151 1.00 0.00 O ATOM 0 H GLY A 98 -2.879 -5.092 -6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.834 -5.880 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.457 -7.534 -8.060 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.652 -5.653 -6.437 1.00 0.00 N ATOM 1505 CA GLY A 99 -6.963 -5.656 -5.812 1.00 0.00 C ATOM 1506 C GLY A 99 -7.976 -6.423 -6.664 1.00 0.00 C ATOM 1507 O GLY A 99 -7.836 -6.498 -7.884 1.00 0.00 O ATOM 0 H GLY A 99 -5.143 -4.772 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.897 -6.110 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.304 -4.631 -5.670 1.00 0.00 H new ATOM 1511 N ILE A 100 -8.973 -6.975 -5.988 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.008 -7.734 -6.668 1.00 0.00 C ATOM 1513 C ILE A 100 -11.241 -6.849 -6.859 1.00 0.00 C ATOM 1514 O ILE A 100 -11.488 -5.942 -6.065 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.297 -9.037 -5.918 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -10.947 -8.756 -4.562 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -9.031 -9.884 -5.783 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -12.017 -9.801 -4.239 1.00 0.00 C ATOM 0 H ILE A 100 -9.086 -6.912 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.672 -8.032 -7.661 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.011 -9.617 -6.503 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.185 -8.758 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.395 -7.762 -4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.264 -10.804 -5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.650 -10.129 -6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.276 -9.324 -5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.463 -9.578 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.790 -9.780 -5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.562 -10.791 -4.209 1.00 0.00 H new