USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 676 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 80 ASN : amide:sc= -0.711 K(o=-2.2,f=-11!) USER MOD Set 1.2: A 83 MET CE :methyl -136:sc= -1.45 (180deg=-0.0232) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00266 USER MOD Single : A 17 GLN : amide:sc= -3.83! C(o=-3.8!,f=-4!) USER MOD Single : A 18 SER OG : rot 45:sc= 0.0656 USER MOD Single : A 20 HIS : no HE2:sc= -1.02 K(o=-1,f=-4!) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= -2.44 (180deg=-2.47) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 23:sc= 0.748 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc=-0.000819 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.235 K(o=-0.24,f=-0.74) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 62:sc= 0.198 USER MOD Single : A 58 SER OG : rot -136:sc= -0.305 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.0361 K(o=0.036,f=-4.8!) USER MOD Single : A 73 ASN : amide:sc= -0.625 X(o=-0.63,f=-0.63) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0914 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -18.149 -4.485 -14.946 1.00 0.00 N ATOM 160 CA LYS A 14 -17.123 -3.519 -14.570 1.00 0.00 C ATOM 161 C LYS A 14 -15.841 -3.751 -15.362 1.00 0.00 C ATOM 162 O LYS A 14 -15.625 -4.831 -15.911 1.00 0.00 O ATOM 163 CB LYS A 14 -16.833 -3.610 -13.070 1.00 0.00 C ATOM 164 CG LYS A 14 -18.003 -3.191 -12.197 1.00 0.00 C ATOM 165 CD LYS A 14 -17.547 -2.807 -10.800 1.00 0.00 C ATOM 166 CE LYS A 14 -17.361 -4.032 -9.918 1.00 0.00 C ATOM 167 NZ LYS A 14 -18.640 -4.458 -9.283 1.00 0.00 N ATOM 0 HA LYS A 14 -17.496 -2.521 -14.802 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.556 -4.635 -12.824 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.973 -2.982 -12.836 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -18.518 -2.348 -12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.722 -4.008 -12.134 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.609 -2.256 -10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.280 -2.139 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.961 -4.852 -10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.626 -3.814 -9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.471 -5.296 -8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -19.009 -3.685 -8.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.334 -4.691 -10.022 1.00 0.00 H new ATOM 181 N VAL A 15 -14.990 -2.730 -15.415 1.00 0.00 N ATOM 182 CA VAL A 15 -13.727 -2.825 -16.138 1.00 0.00 C ATOM 183 C VAL A 15 -12.549 -2.494 -15.229 1.00 0.00 C ATOM 184 O VAL A 15 -12.686 -1.745 -14.261 1.00 0.00 O ATOM 185 CB VAL A 15 -13.705 -1.880 -17.354 1.00 0.00 C ATOM 186 CG1 VAL A 15 -14.725 -2.320 -18.392 1.00 0.00 C ATOM 187 CG2 VAL A 15 -13.961 -0.445 -16.918 1.00 0.00 C ATOM 0 H VAL A 15 -15.153 -1.829 -14.966 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.636 -3.854 -16.486 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.716 -1.927 -17.810 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.694 -1.640 -19.243 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.491 -3.331 -18.726 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.722 -2.305 -17.952 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.942 0.209 -17.790 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.937 -0.380 -16.437 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.188 -0.135 -16.215 1.00 0.00 H new ATOM 197 N THR A 16 -11.387 -3.058 -15.547 1.00 0.00 N ATOM 198 CA THR A 16 -10.183 -2.824 -14.759 1.00 0.00 C ATOM 199 C THR A 16 -9.322 -1.732 -15.383 1.00 0.00 C ATOM 200 O THR A 16 -9.057 -1.750 -16.585 1.00 0.00 O ATOM 201 CB THR A 16 -9.344 -4.109 -14.621 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.172 -4.721 -15.904 1.00 0.00 O ATOM 203 CG2 THR A 16 -10.011 -5.091 -13.670 1.00 0.00 C ATOM 0 H THR A 16 -11.255 -3.680 -16.345 1.00 0.00 H new ATOM 0 HA THR A 16 -10.509 -2.504 -13.769 1.00 0.00 H new ATOM 0 HB THR A 16 -8.370 -3.839 -14.214 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.636 -5.536 -15.808 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.401 -5.990 -13.589 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.114 -4.632 -12.687 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.997 -5.355 -14.052 1.00 0.00 H new ATOM 211 N GLN A 17 -8.887 -0.785 -14.559 1.00 0.00 N ATOM 212 CA GLN A 17 -8.054 0.315 -15.031 1.00 0.00 C ATOM 213 C GLN A 17 -6.701 0.315 -14.327 1.00 0.00 C ATOM 214 O GLN A 17 -6.601 -0.045 -13.154 1.00 0.00 O ATOM 215 CB GLN A 17 -8.761 1.652 -14.804 1.00 0.00 C ATOM 216 CG GLN A 17 -8.995 1.974 -13.336 1.00 0.00 C ATOM 217 CD GLN A 17 -9.770 3.263 -13.138 1.00 0.00 C ATOM 218 OE1 GLN A 17 -9.305 4.182 -12.464 1.00 0.00 O ATOM 219 NE2 GLN A 17 -10.958 3.336 -13.727 1.00 0.00 N ATOM 0 H GLN A 17 -9.097 -0.757 -13.561 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.887 0.178 -16.099 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.167 2.449 -15.252 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.720 1.639 -15.322 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.539 1.152 -12.870 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.034 2.050 -12.827 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.304 2.549 -14.277 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.524 4.179 -13.630 1.00 0.00 H new ATOM 228 N SER A 18 -5.663 0.721 -15.051 1.00 0.00 N ATOM 229 CA SER A 18 -4.315 0.765 -14.496 1.00 0.00 C ATOM 230 C SER A 18 -3.840 2.205 -14.336 1.00 0.00 C ATOM 231 O SER A 18 -3.612 2.909 -15.321 1.00 0.00 O ATOM 232 CB SER A 18 -3.347 -0.007 -15.395 1.00 0.00 C ATOM 233 OG SER A 18 -3.570 0.293 -16.761 1.00 0.00 O ATOM 0 H SER A 18 -5.729 1.024 -16.023 1.00 0.00 H new ATOM 0 HA SER A 18 -4.338 0.298 -13.512 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.320 0.242 -15.128 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.468 -1.078 -15.230 1.00 0.00 H new ATOM 0 HG SER A 18 -3.679 1.261 -16.870 1.00 0.00 H new ATOM 239 N ILE A 19 -3.692 2.637 -13.088 1.00 0.00 N ATOM 240 CA ILE A 19 -3.242 3.993 -12.798 1.00 0.00 C ATOM 241 C ILE A 19 -1.724 4.053 -12.668 1.00 0.00 C ATOM 242 O ILE A 19 -1.150 3.521 -11.718 1.00 0.00 O ATOM 243 CB ILE A 19 -3.879 4.532 -11.503 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.397 4.633 -11.659 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.286 5.887 -11.146 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.128 3.361 -11.288 1.00 0.00 C ATOM 0 H ILE A 19 -3.877 2.068 -12.262 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.557 4.616 -13.635 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.662 3.837 -10.692 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.765 5.449 -11.037 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.632 4.890 -12.692 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.746 6.255 -10.229 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.211 5.786 -10.998 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.476 6.592 -11.955 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.200 3.505 -11.423 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.788 2.546 -11.927 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.923 3.114 -10.246 1.00 0.00 H new ATOM 258 N HIS A 20 -1.079 4.707 -13.629 1.00 0.00 N ATOM 259 CA HIS A 20 0.373 4.840 -13.621 1.00 0.00 C ATOM 260 C HIS A 20 0.791 6.218 -13.118 1.00 0.00 C ATOM 261 O HIS A 20 0.740 7.201 -13.859 1.00 0.00 O ATOM 262 CB HIS A 20 0.936 4.604 -15.024 1.00 0.00 C ATOM 263 CG HIS A 20 0.477 5.614 -16.030 1.00 0.00 C ATOM 264 ND1 HIS A 20 1.229 6.712 -16.391 1.00 0.00 N ATOM 265 CD2 HIS A 20 -0.664 5.686 -16.755 1.00 0.00 C ATOM 266 CE1 HIS A 20 0.570 7.417 -17.293 1.00 0.00 C ATOM 267 NE2 HIS A 20 -0.582 6.815 -17.532 1.00 0.00 N ATOM 0 H HIS A 20 -1.539 5.153 -14.423 1.00 0.00 H new ATOM 0 HA HIS A 20 0.777 4.088 -12.944 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.025 4.619 -14.977 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.645 3.609 -15.361 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.150 6.944 -16.020 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.486 4.986 -16.727 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.914 8.330 -17.756 1.00 0.00 H new ATOM 276 N ILE A 21 1.201 6.283 -11.856 1.00 0.00 N ATOM 277 CA ILE A 21 1.627 7.541 -11.256 1.00 0.00 C ATOM 278 C ILE A 21 3.148 7.650 -11.229 1.00 0.00 C ATOM 279 O ILE A 21 3.849 6.651 -11.075 1.00 0.00 O ATOM 280 CB ILE A 21 1.087 7.691 -9.821 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.372 7.234 -9.751 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.220 9.132 -9.353 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.870 7.017 -8.340 1.00 0.00 C ATOM 0 H ILE A 21 1.247 5.479 -11.229 1.00 0.00 H new ATOM 0 HA ILE A 21 1.219 8.340 -11.875 1.00 0.00 H new ATOM 0 HB ILE A 21 1.678 7.059 -9.158 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.001 7.978 -10.239 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.481 6.306 -10.313 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.834 9.222 -8.338 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.270 9.424 -9.370 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.651 9.784 -10.016 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.911 6.694 -8.367 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.265 6.251 -7.854 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.793 7.949 -7.780 1.00 0.00 H new ATOM 295 N GLU A 22 3.650 8.872 -11.377 1.00 0.00 N ATOM 296 CA GLU A 22 5.089 9.112 -11.369 1.00 0.00 C ATOM 297 C GLU A 22 5.408 10.488 -10.793 1.00 0.00 C ATOM 298 O GLU A 22 4.835 11.496 -11.207 1.00 0.00 O ATOM 299 CB GLU A 22 5.656 8.996 -12.786 1.00 0.00 C ATOM 300 CG GLU A 22 5.281 7.701 -13.487 1.00 0.00 C ATOM 301 CD GLU A 22 3.921 7.771 -14.153 1.00 0.00 C ATOM 302 OE1 GLU A 22 3.445 8.896 -14.413 1.00 0.00 O ATOM 303 OE2 GLU A 22 3.331 6.701 -14.413 1.00 0.00 O ATOM 0 H GLU A 22 3.083 9.710 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 22 5.554 8.356 -10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.300 9.837 -13.381 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.742 9.074 -12.741 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.037 7.466 -14.236 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.285 6.886 -12.763 1.00 0.00 H new ATOM 310 N LYS A 23 6.326 10.523 -9.833 1.00 0.00 N ATOM 311 CA LYS A 23 6.723 11.774 -9.198 1.00 0.00 C ATOM 312 C LYS A 23 8.077 12.244 -9.721 1.00 0.00 C ATOM 313 O LYS A 23 8.756 11.521 -10.451 1.00 0.00 O ATOM 314 CB LYS A 23 6.784 11.602 -7.679 1.00 0.00 C ATOM 315 CG LYS A 23 5.530 10.981 -7.086 1.00 0.00 C ATOM 316 CD LYS A 23 5.306 11.437 -5.654 1.00 0.00 C ATOM 317 CE LYS A 23 4.466 12.704 -5.597 1.00 0.00 C ATOM 318 NZ LYS A 23 5.008 13.768 -6.486 1.00 0.00 N ATOM 0 H LYS A 23 6.809 9.698 -9.477 1.00 0.00 H new ATOM 0 HA LYS A 23 5.976 12.529 -9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.642 10.979 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.950 12.576 -7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.667 11.251 -7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.613 9.894 -7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.810 10.645 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.268 11.615 -5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.441 12.474 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.431 13.071 -4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.481 14.651 -6.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.014 13.922 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.908 13.475 -7.479 1.00 0.00 H new ATOM 332 N SER A 24 8.464 13.458 -9.343 1.00 0.00 N ATOM 333 CA SER A 24 9.735 14.024 -9.777 1.00 0.00 C ATOM 334 C SER A 24 10.832 13.743 -8.754 1.00 0.00 C ATOM 335 O SER A 24 11.698 12.896 -8.973 1.00 0.00 O ATOM 336 CB SER A 24 9.599 15.533 -9.993 1.00 0.00 C ATOM 337 OG SER A 24 10.826 16.101 -10.414 1.00 0.00 O ATOM 0 H SER A 24 7.915 14.068 -8.737 1.00 0.00 H new ATOM 0 HA SER A 24 10.011 13.552 -10.720 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.829 15.729 -10.740 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.274 16.008 -9.067 1.00 0.00 H new ATOM 0 HG SER A 24 10.712 17.065 -10.547 1.00 0.00 H new ATOM 343 N ASP A 25 10.788 14.460 -7.636 1.00 0.00 N ATOM 344 CA ASP A 25 11.776 14.289 -6.578 1.00 0.00 C ATOM 345 C ASP A 25 11.137 13.690 -5.329 1.00 0.00 C ATOM 346 O ASP A 25 10.816 14.404 -4.378 1.00 0.00 O ATOM 347 CB ASP A 25 12.430 15.629 -6.239 1.00 0.00 C ATOM 348 CG ASP A 25 13.482 15.503 -5.155 1.00 0.00 C ATOM 349 OD1 ASP A 25 14.287 14.550 -5.219 1.00 0.00 O ATOM 350 OD2 ASP A 25 13.501 16.355 -4.243 1.00 0.00 O ATOM 0 H ASP A 25 10.078 15.165 -7.439 1.00 0.00 H new ATOM 0 HA ASP A 25 12.541 13.601 -6.938 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.886 16.045 -7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.663 16.333 -5.916 1.00 0.00 H new ATOM 355 N THR A 26 10.952 12.373 -5.338 1.00 0.00 N ATOM 356 CA THR A 26 10.348 11.679 -4.208 1.00 0.00 C ATOM 357 C THR A 26 10.865 12.230 -2.884 1.00 0.00 C ATOM 358 O THR A 26 10.138 12.274 -1.893 1.00 0.00 O ATOM 359 CB THR A 26 10.628 10.165 -4.265 1.00 0.00 C ATOM 360 OG1 THR A 26 12.030 9.932 -4.436 1.00 0.00 O ATOM 361 CG2 THR A 26 9.858 9.515 -5.405 1.00 0.00 C ATOM 0 H THR A 26 11.212 11.766 -6.116 1.00 0.00 H new ATOM 0 HA THR A 26 9.273 11.846 -4.272 1.00 0.00 H new ATOM 0 HB THR A 26 10.299 9.721 -3.325 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.200 8.967 -4.470 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.071 8.446 -5.425 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.789 9.669 -5.256 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.161 9.964 -6.351 1.00 0.00 H new ATOM 369 N ALA A 27 12.126 12.651 -2.876 1.00 0.00 N ATOM 370 CA ALA A 27 12.739 13.202 -1.674 1.00 0.00 C ATOM 371 C ALA A 27 11.792 14.165 -0.967 1.00 0.00 C ATOM 372 O ALA A 27 11.597 14.081 0.245 1.00 0.00 O ATOM 373 CB ALA A 27 14.045 13.901 -2.021 1.00 0.00 C ATOM 0 H ALA A 27 12.742 12.621 -3.688 1.00 0.00 H new ATOM 0 HA ALA A 27 12.951 12.378 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.492 14.308 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.731 13.186 -2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.849 14.711 -2.724 1.00 0.00 H new ATOM 379 N ALA A 28 11.207 15.081 -1.732 1.00 0.00 N ATOM 380 CA ALA A 28 10.280 16.060 -1.179 1.00 0.00 C ATOM 381 C ALA A 28 8.845 15.753 -1.595 1.00 0.00 C ATOM 382 O ALA A 28 7.986 15.491 -0.753 1.00 0.00 O ATOM 383 CB ALA A 28 10.670 17.464 -1.617 1.00 0.00 C ATOM 0 H ALA A 28 11.359 15.165 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 28 10.336 16.003 -0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.969 18.184 -1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.676 17.689 -1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.645 17.526 -2.705 1.00 0.00 H new ATOM 389 N ASP A 29 8.592 15.789 -2.899 1.00 0.00 N ATOM 390 CA ASP A 29 7.261 15.515 -3.427 1.00 0.00 C ATOM 391 C ASP A 29 6.849 14.074 -3.142 1.00 0.00 C ATOM 392 O ASP A 29 7.346 13.138 -3.770 1.00 0.00 O ATOM 393 CB ASP A 29 7.222 15.781 -4.933 1.00 0.00 C ATOM 394 CG ASP A 29 7.827 17.121 -5.300 1.00 0.00 C ATOM 395 OD1 ASP A 29 7.118 18.144 -5.188 1.00 0.00 O ATOM 396 OD2 ASP A 29 9.010 17.148 -5.698 1.00 0.00 O ATOM 0 H ASP A 29 9.291 16.005 -3.609 1.00 0.00 H new ATOM 0 HA ASP A 29 6.556 16.181 -2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.760 14.988 -5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.189 15.745 -5.279 1.00 0.00 H new ATOM 401 N THR A 30 5.939 13.901 -2.188 1.00 0.00 N ATOM 402 CA THR A 30 5.462 12.575 -1.818 1.00 0.00 C ATOM 403 C THR A 30 4.052 12.331 -2.343 1.00 0.00 C ATOM 404 O THR A 30 3.214 13.232 -2.341 1.00 0.00 O ATOM 405 CB THR A 30 5.469 12.382 -0.289 1.00 0.00 C ATOM 406 OG1 THR A 30 4.608 13.345 0.329 1.00 0.00 O ATOM 407 CG2 THR A 30 6.877 12.523 0.268 1.00 0.00 C ATOM 0 H THR A 30 5.518 14.664 -1.658 1.00 0.00 H new ATOM 0 HA THR A 30 6.145 11.856 -2.271 1.00 0.00 H new ATOM 0 HB THR A 30 5.108 11.377 -0.070 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.616 13.215 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.856 12.383 1.349 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.524 11.771 -0.183 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.261 13.517 0.038 1.00 0.00 H new ATOM 415 N TYR A 31 3.797 11.107 -2.792 1.00 0.00 N ATOM 416 CA TYR A 31 2.488 10.745 -3.323 1.00 0.00 C ATOM 417 C TYR A 31 1.373 11.409 -2.521 1.00 0.00 C ATOM 418 O TYR A 31 0.749 12.366 -2.979 1.00 0.00 O ATOM 419 CB TYR A 31 2.309 9.226 -3.304 1.00 0.00 C ATOM 420 CG TYR A 31 3.091 8.511 -4.383 1.00 0.00 C ATOM 421 CD1 TYR A 31 3.025 8.925 -5.707 1.00 0.00 C ATOM 422 CD2 TYR A 31 3.898 7.422 -4.077 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.737 8.274 -6.696 1.00 0.00 C ATOM 424 CE2 TYR A 31 4.615 6.766 -5.058 1.00 0.00 C ATOM 425 CZ TYR A 31 4.531 7.195 -6.366 1.00 0.00 C ATOM 426 OH TYR A 31 5.243 6.545 -7.348 1.00 0.00 O ATOM 0 H TYR A 31 4.479 10.349 -2.799 1.00 0.00 H new ATOM 0 HA TYR A 31 2.431 11.098 -4.353 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.617 8.844 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.251 8.992 -3.418 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.406 9.771 -5.968 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.966 7.083 -3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.672 8.608 -7.721 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.238 5.922 -4.802 1.00 0.00 H new ATOM 0 HH TYR A 31 5.378 7.149 -8.108 1.00 0.00 H new ATOM 436 N GLY A 32 1.129 10.895 -1.320 1.00 0.00 N ATOM 437 CA GLY A 32 0.090 11.450 -0.472 1.00 0.00 C ATOM 438 C GLY A 32 -0.971 10.429 -0.112 1.00 0.00 C ATOM 439 O GLY A 32 -1.687 10.589 0.877 1.00 0.00 O ATOM 0 H GLY A 32 1.632 10.104 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.540 11.839 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.379 12.292 -0.981 1.00 0.00 H new ATOM 443 N PHE A 33 -1.076 9.377 -0.917 1.00 0.00 N ATOM 444 CA PHE A 33 -2.059 8.327 -0.679 1.00 0.00 C ATOM 445 C PHE A 33 -1.403 7.098 -0.056 1.00 0.00 C ATOM 446 O PHE A 33 -0.332 6.668 -0.484 1.00 0.00 O ATOM 447 CB PHE A 33 -2.751 7.940 -1.989 1.00 0.00 C ATOM 448 CG PHE A 33 -2.053 6.838 -2.732 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.915 7.099 -3.479 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.534 5.539 -2.684 1.00 0.00 C ATOM 451 CE1 PHE A 33 -0.272 6.086 -4.164 1.00 0.00 C ATOM 452 CE2 PHE A 33 -1.895 4.522 -3.368 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.761 4.796 -4.108 1.00 0.00 C ATOM 0 H PHE A 33 -0.492 9.229 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.803 8.713 0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.774 7.631 -1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.813 8.818 -2.631 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.527 8.106 -3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.419 5.319 -2.105 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.613 6.303 -4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.282 3.515 -3.324 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.258 4.003 -4.641 1.00 0.00 H new ATOM 463 N SER A 34 -2.054 6.538 0.959 1.00 0.00 N ATOM 464 CA SER A 34 -1.533 5.362 1.646 1.00 0.00 C ATOM 465 C SER A 34 -2.478 4.175 1.482 1.00 0.00 C ATOM 466 O SER A 34 -3.647 4.340 1.132 1.00 0.00 O ATOM 467 CB SER A 34 -1.326 5.662 3.131 1.00 0.00 C ATOM 468 OG SER A 34 -0.302 4.850 3.678 1.00 0.00 O ATOM 0 H SER A 34 -2.943 6.880 1.324 1.00 0.00 H new ATOM 0 HA SER A 34 -0.573 5.105 1.198 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.069 6.713 3.260 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.257 5.493 3.672 1.00 0.00 H new ATOM 0 HG SER A 34 -0.188 5.063 4.628 1.00 0.00 H new ATOM 474 N LEU A 35 -1.962 2.978 1.738 1.00 0.00 N ATOM 475 CA LEU A 35 -2.758 1.761 1.620 1.00 0.00 C ATOM 476 C LEU A 35 -2.967 1.112 2.985 1.00 0.00 C ATOM 477 O LEU A 35 -2.057 1.077 3.813 1.00 0.00 O ATOM 478 CB LEU A 35 -2.077 0.772 0.672 1.00 0.00 C ATOM 479 CG LEU A 35 -1.862 1.257 -0.762 1.00 0.00 C ATOM 480 CD1 LEU A 35 -0.796 0.422 -1.454 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.168 1.211 -1.542 1.00 0.00 C ATOM 0 H LEU A 35 -0.996 2.824 2.028 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.732 2.032 1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.108 0.504 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.673 -0.140 0.640 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.519 2.291 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.657 0.782 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.144 0.506 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.110 -0.622 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.996 1.560 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.541 0.187 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.904 1.853 -1.058 1.00 0.00 H new ATOM 493 N SER A 36 -4.172 0.598 3.212 1.00 0.00 N ATOM 494 CA SER A 36 -4.501 -0.048 4.477 1.00 0.00 C ATOM 495 C SER A 36 -4.749 -1.540 4.276 1.00 0.00 C ATOM 496 O SER A 36 -5.484 -1.943 3.374 1.00 0.00 O ATOM 497 CB SER A 36 -5.735 0.606 5.102 1.00 0.00 C ATOM 498 OG SER A 36 -6.928 0.022 4.608 1.00 0.00 O ATOM 0 H SER A 36 -4.936 0.617 2.536 1.00 0.00 H new ATOM 0 HA SER A 36 -3.653 0.074 5.151 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.697 0.500 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.733 1.674 4.886 1.00 0.00 H new ATOM 0 HG SER A 36 -7.702 0.456 5.024 1.00 0.00 H new ATOM 504 N SER A 37 -4.131 -2.356 5.124 1.00 0.00 N ATOM 505 CA SER A 37 -4.280 -3.804 5.038 1.00 0.00 C ATOM 506 C SER A 37 -5.407 -4.288 5.946 1.00 0.00 C ATOM 507 O SER A 37 -5.454 -3.953 7.129 1.00 0.00 O ATOM 508 CB SER A 37 -2.970 -4.497 5.418 1.00 0.00 C ATOM 509 OG SER A 37 -1.851 -3.710 5.048 1.00 0.00 O ATOM 0 H SER A 37 -3.522 -2.039 5.879 1.00 0.00 H new ATOM 0 HA SER A 37 -4.531 -4.058 4.008 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.950 -4.681 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.913 -5.469 4.928 1.00 0.00 H new ATOM 0 HG SER A 37 -1.026 -4.174 5.303 1.00 0.00 H new ATOM 515 N VAL A 38 -6.314 -5.080 5.382 1.00 0.00 N ATOM 516 CA VAL A 38 -7.440 -5.612 6.139 1.00 0.00 C ATOM 517 C VAL A 38 -7.667 -7.087 5.824 1.00 0.00 C ATOM 518 O VAL A 38 -7.585 -7.504 4.669 1.00 0.00 O ATOM 519 CB VAL A 38 -8.734 -4.831 5.844 1.00 0.00 C ATOM 520 CG1 VAL A 38 -9.839 -5.245 6.805 1.00 0.00 C ATOM 521 CG2 VAL A 38 -8.481 -3.333 5.924 1.00 0.00 C ATOM 0 H VAL A 38 -6.290 -5.367 4.403 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.191 -5.503 7.195 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.059 -5.069 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.745 -4.683 6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.037 -6.311 6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.527 -5.038 7.829 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.406 -2.796 5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.132 -3.076 6.924 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.723 -3.052 5.192 1.00 0.00 H new ATOM 531 N GLU A 39 -7.954 -7.870 6.858 1.00 0.00 N ATOM 532 CA GLU A 39 -8.193 -9.299 6.690 1.00 0.00 C ATOM 533 C GLU A 39 -9.621 -9.663 7.087 1.00 0.00 C ATOM 534 O GLU A 39 -10.000 -9.549 8.252 1.00 0.00 O ATOM 535 CB GLU A 39 -7.198 -10.107 7.527 1.00 0.00 C ATOM 536 CG GLU A 39 -6.863 -11.464 6.932 1.00 0.00 C ATOM 537 CD GLU A 39 -6.495 -12.489 7.987 1.00 0.00 C ATOM 538 OE1 GLU A 39 -7.279 -12.666 8.942 1.00 0.00 O ATOM 539 OE2 GLU A 39 -5.421 -13.114 7.857 1.00 0.00 O ATOM 0 H GLU A 39 -8.027 -7.540 7.820 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.054 -9.543 5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.279 -9.532 7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.608 -10.249 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.717 -11.827 6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.035 -11.355 6.232 1.00 0.00 H new ATOM 546 N GLU A 40 -10.407 -10.100 6.109 1.00 0.00 N ATOM 547 CA GLU A 40 -11.794 -10.478 6.356 1.00 0.00 C ATOM 548 C GLU A 40 -12.027 -11.946 6.008 1.00 0.00 C ATOM 549 O GLU A 40 -11.961 -12.337 4.843 1.00 0.00 O ATOM 550 CB GLU A 40 -12.740 -9.593 5.542 1.00 0.00 C ATOM 551 CG GLU A 40 -12.550 -8.107 5.793 1.00 0.00 C ATOM 552 CD GLU A 40 -13.667 -7.268 5.203 1.00 0.00 C ATOM 553 OE1 GLU A 40 -14.345 -7.753 4.273 1.00 0.00 O ATOM 554 OE2 GLU A 40 -13.863 -6.127 5.671 1.00 0.00 O ATOM 0 H GLU A 40 -10.108 -10.201 5.139 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.999 -10.336 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.591 -9.796 4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.769 -9.864 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.495 -7.928 6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.598 -7.789 5.367 1.00 0.00 H new ATOM 561 N ASP A 41 -12.300 -12.753 7.028 1.00 0.00 N ATOM 562 CA ASP A 41 -12.544 -14.177 6.831 1.00 0.00 C ATOM 563 C ASP A 41 -11.341 -14.849 6.176 1.00 0.00 C ATOM 564 O ASP A 41 -11.494 -15.715 5.316 1.00 0.00 O ATOM 565 CB ASP A 41 -13.792 -14.389 5.973 1.00 0.00 C ATOM 566 CG ASP A 41 -14.275 -15.826 5.999 1.00 0.00 C ATOM 567 OD1 ASP A 41 -14.511 -16.353 7.106 1.00 0.00 O ATOM 568 OD2 ASP A 41 -14.418 -16.423 4.912 1.00 0.00 O ATOM 0 H ASP A 41 -12.358 -12.445 7.999 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.704 -14.631 7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.588 -13.735 6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.576 -14.100 4.945 1.00 0.00 H new ATOM 573 N GLY A 42 -10.145 -14.442 6.589 1.00 0.00 N ATOM 574 CA GLY A 42 -8.933 -15.014 6.030 1.00 0.00 C ATOM 575 C GLY A 42 -8.491 -14.311 4.762 1.00 0.00 C ATOM 576 O GLY A 42 -7.317 -14.362 4.394 1.00 0.00 O ATOM 0 H GLY A 42 -9.993 -13.727 7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.134 -14.959 6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.098 -16.070 5.817 1.00 0.00 H new ATOM 580 N ILE A 43 -9.433 -13.656 4.092 1.00 0.00 N ATOM 581 CA ILE A 43 -9.133 -12.941 2.858 1.00 0.00 C ATOM 582 C ILE A 43 -8.516 -11.577 3.148 1.00 0.00 C ATOM 583 O ILE A 43 -9.198 -10.661 3.609 1.00 0.00 O ATOM 584 CB ILE A 43 -10.397 -12.747 1.999 1.00 0.00 C ATOM 585 CG1 ILE A 43 -11.066 -14.096 1.725 1.00 0.00 C ATOM 586 CG2 ILE A 43 -10.048 -12.049 0.693 1.00 0.00 C ATOM 587 CD1 ILE A 43 -12.535 -13.984 1.383 1.00 0.00 C ATOM 0 H ILE A 43 -10.409 -13.606 4.383 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.417 -13.551 2.306 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.098 -12.119 2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.547 -14.590 0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.953 -14.733 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.951 -11.919 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.611 -11.074 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.331 -12.654 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.943 -14.978 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -13.067 -13.519 2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -12.655 -13.374 0.488 1.00 0.00 H new ATOM 599 N ARG A 44 -7.222 -11.448 2.875 1.00 0.00 N ATOM 600 CA ARG A 44 -6.513 -10.196 3.106 1.00 0.00 C ATOM 601 C ARG A 44 -6.477 -9.349 1.837 1.00 0.00 C ATOM 602 O ARG A 44 -6.212 -9.857 0.748 1.00 0.00 O ATOM 603 CB ARG A 44 -5.088 -10.474 3.588 1.00 0.00 C ATOM 604 CG ARG A 44 -4.329 -9.222 3.997 1.00 0.00 C ATOM 605 CD ARG A 44 -2.831 -9.385 3.786 1.00 0.00 C ATOM 606 NE ARG A 44 -2.071 -8.296 4.394 1.00 0.00 N ATOM 607 CZ ARG A 44 -0.766 -8.125 4.221 1.00 0.00 C ATOM 608 NH1 ARG A 44 -0.079 -8.966 3.460 1.00 0.00 N ATOM 609 NH2 ARG A 44 -0.145 -7.110 4.808 1.00 0.00 N ATOM 0 H ARG A 44 -6.643 -12.196 2.493 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.048 -9.641 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.127 -11.158 4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.537 -10.980 2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.689 -8.372 3.418 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.528 -9.001 5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.506 -10.335 4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.617 -9.424 2.718 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.570 -7.630 4.984 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.553 -9.747 3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.924 -8.832 3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.670 -6.460 5.393 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.858 -6.980 4.674 1.00 0.00 H new ATOM 623 N ARG A 45 -6.745 -8.056 1.987 1.00 0.00 N ATOM 624 CA ARG A 45 -6.745 -7.139 0.854 1.00 0.00 C ATOM 625 C ARG A 45 -6.282 -5.749 1.279 1.00 0.00 C ATOM 626 O ARG A 45 -6.146 -5.465 2.470 1.00 0.00 O ATOM 627 CB ARG A 45 -8.142 -7.057 0.237 1.00 0.00 C ATOM 628 CG ARG A 45 -8.761 -8.415 -0.053 1.00 0.00 C ATOM 629 CD ARG A 45 -9.800 -8.328 -1.160 1.00 0.00 C ATOM 630 NE ARG A 45 -10.534 -9.581 -1.321 1.00 0.00 N ATOM 631 CZ ARG A 45 -11.700 -9.674 -1.950 1.00 0.00 C ATOM 632 NH1 ARG A 45 -12.263 -8.594 -2.473 1.00 0.00 N ATOM 633 NH2 ARG A 45 -12.306 -10.850 -2.055 1.00 0.00 N ATOM 0 H ARG A 45 -6.965 -7.620 2.882 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.048 -7.522 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.796 -6.506 0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.087 -6.487 -0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.980 -9.119 -0.340 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.225 -8.806 0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.501 -7.523 -0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.309 -8.072 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.129 -10.431 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.801 -7.688 -2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.159 -8.669 -2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.876 -11.683 -1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.202 -10.921 -2.538 1.00 0.00 H new ATOM 647 N LEU A 46 -6.042 -4.886 0.298 1.00 0.00 N ATOM 648 CA LEU A 46 -5.593 -3.524 0.570 1.00 0.00 C ATOM 649 C LEU A 46 -6.600 -2.505 0.047 1.00 0.00 C ATOM 650 O LEU A 46 -7.346 -2.780 -0.893 1.00 0.00 O ATOM 651 CB LEU A 46 -4.225 -3.280 -0.068 1.00 0.00 C ATOM 652 CG LEU A 46 -3.021 -3.841 0.691 1.00 0.00 C ATOM 653 CD1 LEU A 46 -2.662 -2.941 1.863 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.306 -5.257 1.171 1.00 0.00 C ATOM 0 H LEU A 46 -6.151 -5.104 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.509 -3.404 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.231 -3.711 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.087 -2.205 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.170 -3.874 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.803 -3.356 2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.415 -1.945 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.510 -2.876 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.439 -5.640 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.170 -5.249 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.513 -5.897 0.313 1.00 0.00 H new ATOM 666 N TYR A 47 -6.614 -1.327 0.660 1.00 0.00 N ATOM 667 CA TYR A 47 -7.529 -0.266 0.256 1.00 0.00 C ATOM 668 C TYR A 47 -6.873 1.104 0.401 1.00 0.00 C ATOM 669 O TYR A 47 -5.999 1.301 1.246 1.00 0.00 O ATOM 670 CB TYR A 47 -8.809 -0.321 1.092 1.00 0.00 C ATOM 671 CG TYR A 47 -9.463 -1.684 1.106 1.00 0.00 C ATOM 672 CD1 TYR A 47 -9.104 -2.639 2.049 1.00 0.00 C ATOM 673 CD2 TYR A 47 -10.441 -2.017 0.176 1.00 0.00 C ATOM 674 CE1 TYR A 47 -9.699 -3.886 2.066 1.00 0.00 C ATOM 675 CE2 TYR A 47 -11.042 -3.261 0.187 1.00 0.00 C ATOM 676 CZ TYR A 47 -10.668 -4.192 1.133 1.00 0.00 C ATOM 677 OH TYR A 47 -11.263 -5.432 1.145 1.00 0.00 O ATOM 0 H TYR A 47 -6.002 -1.082 1.439 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.781 -0.419 -0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.577 -0.028 2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.519 0.410 0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.347 -2.403 2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.736 -1.291 -0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.407 -4.617 2.806 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.801 -3.503 -0.542 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.924 -5.485 0.423 1.00 0.00 H new ATOM 687 N VAL A 48 -7.301 2.049 -0.430 1.00 0.00 N ATOM 688 CA VAL A 48 -6.758 3.402 -0.394 1.00 0.00 C ATOM 689 C VAL A 48 -7.339 4.197 0.769 1.00 0.00 C ATOM 690 O VAL A 48 -8.410 4.792 0.654 1.00 0.00 O ATOM 691 CB VAL A 48 -7.040 4.154 -1.708 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.475 5.565 -1.648 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.467 3.391 -2.893 1.00 0.00 C ATOM 0 H VAL A 48 -8.022 1.903 -1.136 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.680 3.307 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.120 4.226 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.684 6.081 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.938 6.108 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.397 5.519 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.676 3.937 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.389 3.285 -2.771 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.925 2.403 -2.946 1.00 0.00 H new ATOM 703 N ASN A 49 -6.625 4.204 1.890 1.00 0.00 N ATOM 704 CA ASN A 49 -7.070 4.927 3.076 1.00 0.00 C ATOM 705 C ASN A 49 -7.380 6.383 2.741 1.00 0.00 C ATOM 706 O ASN A 49 -8.500 6.852 2.942 1.00 0.00 O ATOM 707 CB ASN A 49 -6.002 4.859 4.170 1.00 0.00 C ATOM 708 CG ASN A 49 -6.013 6.084 5.064 1.00 0.00 C ATOM 709 OD1 ASN A 49 -7.060 6.483 5.576 1.00 0.00 O ATOM 710 ND2 ASN A 49 -4.846 6.686 5.257 1.00 0.00 N ATOM 0 H ASN A 49 -5.736 3.717 2.002 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.983 4.454 3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.163 3.968 4.777 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.019 4.757 3.709 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.791 7.514 5.850 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.004 6.320 4.813 1.00 0.00 H new ATOM 717 N SER A 50 -6.379 7.092 2.229 1.00 0.00 N ATOM 718 CA SER A 50 -6.543 8.496 1.869 1.00 0.00 C ATOM 719 C SER A 50 -5.929 8.781 0.501 1.00 0.00 C ATOM 720 O SER A 50 -5.362 7.893 -0.135 1.00 0.00 O ATOM 721 CB SER A 50 -5.900 9.394 2.927 1.00 0.00 C ATOM 722 OG SER A 50 -6.543 10.656 2.984 1.00 0.00 O ATOM 0 H SER A 50 -5.446 6.718 2.054 1.00 0.00 H new ATOM 0 HA SER A 50 -7.610 8.711 1.821 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.955 8.910 3.902 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.843 9.531 2.699 1.00 0.00 H new ATOM 0 HG SER A 50 -6.115 11.211 3.669 1.00 0.00 H new ATOM 728 N VAL A 51 -6.047 10.028 0.056 1.00 0.00 N ATOM 729 CA VAL A 51 -5.503 10.433 -1.235 1.00 0.00 C ATOM 730 C VAL A 51 -5.074 11.896 -1.216 1.00 0.00 C ATOM 731 O VAL A 51 -5.731 12.740 -0.607 1.00 0.00 O ATOM 732 CB VAL A 51 -6.528 10.225 -2.366 1.00 0.00 C ATOM 733 CG1 VAL A 51 -6.076 10.935 -3.633 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.742 8.741 -2.624 1.00 0.00 C ATOM 0 H VAL A 51 -6.514 10.775 0.570 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.633 9.804 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.479 10.657 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.812 10.777 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.978 12.003 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.113 10.535 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.469 8.612 -3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.797 8.282 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.114 8.264 -1.717 1.00 0.00 H new ATOM 744 N LYS A 52 -3.966 12.190 -1.888 1.00 0.00 N ATOM 745 CA LYS A 52 -3.448 13.552 -1.951 1.00 0.00 C ATOM 746 C LYS A 52 -4.443 14.481 -2.639 1.00 0.00 C ATOM 747 O LYS A 52 -4.868 14.225 -3.765 1.00 0.00 O ATOM 748 CB LYS A 52 -2.111 13.577 -2.696 1.00 0.00 C ATOM 749 CG LYS A 52 -1.175 14.678 -2.229 1.00 0.00 C ATOM 750 CD LYS A 52 -0.210 15.093 -3.327 1.00 0.00 C ATOM 751 CE LYS A 52 1.103 15.602 -2.752 1.00 0.00 C ATOM 752 NZ LYS A 52 0.969 16.978 -2.199 1.00 0.00 N ATOM 0 H LYS A 52 -3.409 11.503 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.295 13.904 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.617 12.614 -2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.301 13.701 -3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.758 15.542 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.613 14.335 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.016 14.244 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.666 15.871 -3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.442 14.926 -1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.867 15.596 -3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.885 17.289 -1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.670 17.628 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.258 16.979 -1.440 1.00 0.00 H new ATOM 766 N GLU A 53 -4.808 15.561 -1.955 1.00 0.00 N ATOM 767 CA GLU A 53 -5.752 16.528 -2.502 1.00 0.00 C ATOM 768 C GLU A 53 -5.316 16.989 -3.890 1.00 0.00 C ATOM 769 O GLU A 53 -5.920 16.619 -4.898 1.00 0.00 O ATOM 770 CB GLU A 53 -5.879 17.734 -1.569 1.00 0.00 C ATOM 771 CG GLU A 53 -6.995 18.689 -1.957 1.00 0.00 C ATOM 772 CD GLU A 53 -8.368 18.167 -1.580 1.00 0.00 C ATOM 773 OE1 GLU A 53 -8.501 17.592 -0.479 1.00 0.00 O ATOM 774 OE2 GLU A 53 -9.309 18.333 -2.384 1.00 0.00 O ATOM 0 H GLU A 53 -4.464 15.788 -1.022 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.723 16.040 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.052 17.380 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.934 18.277 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.830 19.651 -1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.960 18.865 -3.032 1.00 0.00 H new ATOM 781 N THR A 54 -4.263 17.799 -3.935 1.00 0.00 N ATOM 782 CA THR A 54 -3.747 18.312 -5.197 1.00 0.00 C ATOM 783 C THR A 54 -2.463 17.594 -5.598 1.00 0.00 C ATOM 784 O THR A 54 -1.407 18.213 -5.720 1.00 0.00 O ATOM 785 CB THR A 54 -3.473 19.825 -5.119 1.00 0.00 C ATOM 786 OG1 THR A 54 -2.595 20.108 -4.023 1.00 0.00 O ATOM 787 CG2 THR A 54 -4.770 20.602 -4.950 1.00 0.00 C ATOM 0 H THR A 54 -3.751 18.114 -3.111 1.00 0.00 H new ATOM 0 HA THR A 54 -4.513 18.128 -5.950 1.00 0.00 H new ATOM 0 HB THR A 54 -3.001 20.135 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.735 19.662 -4.169 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.551 21.668 -4.897 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.424 20.407 -5.800 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.265 20.288 -4.031 1.00 0.00 H new ATOM 795 N GLY A 55 -2.561 16.284 -5.803 1.00 0.00 N ATOM 796 CA GLY A 55 -1.400 15.505 -6.189 1.00 0.00 C ATOM 797 C GLY A 55 -1.537 14.908 -7.576 1.00 0.00 C ATOM 798 O GLY A 55 -2.094 15.535 -8.478 1.00 0.00 O ATOM 0 H GLY A 55 -3.424 15.749 -5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.514 16.139 -6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.247 14.704 -5.466 1.00 0.00 H new ATOM 802 N LEU A 56 -1.027 13.693 -7.748 1.00 0.00 N ATOM 803 CA LEU A 56 -1.093 13.011 -9.036 1.00 0.00 C ATOM 804 C LEU A 56 -2.169 11.930 -9.025 1.00 0.00 C ATOM 805 O LEU A 56 -3.090 11.948 -9.841 1.00 0.00 O ATOM 806 CB LEU A 56 0.264 12.394 -9.379 1.00 0.00 C ATOM 807 CG LEU A 56 1.487 13.270 -9.110 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.715 12.409 -8.855 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.731 14.219 -10.274 1.00 0.00 C ATOM 0 H LEU A 56 -0.563 13.160 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.352 13.747 -9.797 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.373 11.469 -8.813 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.261 12.123 -10.435 1.00 0.00 H new ATOM 0 HG LEU A 56 1.294 13.865 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.576 13.050 -8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.539 11.772 -7.988 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.911 11.787 -9.728 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.606 14.835 -10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.902 13.643 -11.183 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.860 14.860 -10.409 1.00 0.00 H new ATOM 821 N ALA A 57 -2.046 10.990 -8.093 1.00 0.00 N ATOM 822 CA ALA A 57 -3.009 9.903 -7.973 1.00 0.00 C ATOM 823 C ALA A 57 -4.434 10.408 -8.173 1.00 0.00 C ATOM 824 O ALA A 57 -5.130 9.982 -9.095 1.00 0.00 O ATOM 825 CB ALA A 57 -2.873 9.225 -6.617 1.00 0.00 C ATOM 0 H ALA A 57 -1.289 10.960 -7.410 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.796 9.174 -8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.598 8.415 -6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.866 8.822 -6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.057 9.952 -5.826 1.00 0.00 H new ATOM 831 N SER A 58 -4.863 11.318 -7.304 1.00 0.00 N ATOM 832 CA SER A 58 -6.207 11.878 -7.383 1.00 0.00 C ATOM 833 C SER A 58 -6.570 12.218 -8.825 1.00 0.00 C ATOM 834 O SER A 58 -7.527 11.678 -9.381 1.00 0.00 O ATOM 835 CB SER A 58 -6.314 13.129 -6.510 1.00 0.00 C ATOM 836 OG SER A 58 -5.578 14.204 -7.067 1.00 0.00 O ATOM 0 H SER A 58 -4.299 11.683 -6.537 1.00 0.00 H new ATOM 0 HA SER A 58 -6.908 11.128 -7.017 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.361 13.416 -6.407 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.943 12.910 -5.509 1.00 0.00 H new ATOM 0 HG SER A 58 -5.073 14.656 -6.359 1.00 0.00 H new ATOM 842 N LYS A 59 -5.798 13.117 -9.426 1.00 0.00 N ATOM 843 CA LYS A 59 -6.035 13.531 -10.804 1.00 0.00 C ATOM 844 C LYS A 59 -6.441 12.340 -11.667 1.00 0.00 C ATOM 845 O LYS A 59 -7.510 12.339 -12.277 1.00 0.00 O ATOM 846 CB LYS A 59 -4.781 14.190 -11.383 1.00 0.00 C ATOM 847 CG LYS A 59 -4.676 15.673 -11.076 1.00 0.00 C ATOM 848 CD LYS A 59 -3.512 16.315 -11.812 1.00 0.00 C ATOM 849 CE LYS A 59 -3.484 17.821 -11.605 1.00 0.00 C ATOM 850 NZ LYS A 59 -4.488 18.518 -12.455 1.00 0.00 N ATOM 0 H LYS A 59 -5.002 13.573 -8.980 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.851 14.254 -10.805 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.900 13.683 -10.990 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.773 14.050 -12.464 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.604 16.170 -11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.551 15.815 -10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.575 15.881 -11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.587 16.094 -12.877 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.677 18.047 -10.556 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.488 18.200 -11.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.436 19.543 -12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.289 18.324 -13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.441 18.175 -12.219 1.00 0.00 H new ATOM 864 N LYS A 60 -5.581 11.328 -11.713 1.00 0.00 N ATOM 865 CA LYS A 60 -5.851 10.130 -12.499 1.00 0.00 C ATOM 866 C LYS A 60 -7.282 9.647 -12.282 1.00 0.00 C ATOM 867 O LYS A 60 -8.069 9.563 -13.223 1.00 0.00 O ATOM 868 CB LYS A 60 -4.865 9.019 -12.129 1.00 0.00 C ATOM 869 CG LYS A 60 -3.596 9.030 -12.963 1.00 0.00 C ATOM 870 CD LYS A 60 -2.957 10.408 -12.989 1.00 0.00 C ATOM 871 CE LYS A 60 -1.465 10.325 -13.277 1.00 0.00 C ATOM 872 NZ LYS A 60 -1.180 10.353 -14.738 1.00 0.00 N ATOM 0 H LYS A 60 -4.691 11.314 -11.215 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.727 10.382 -13.552 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.599 9.116 -11.076 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.358 8.054 -12.245 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.888 8.307 -12.558 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.826 8.715 -13.981 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.442 11.021 -13.749 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.117 10.903 -12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.955 11.157 -12.791 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.062 9.408 -12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.153 10.295 -14.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.646 9.545 -15.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.541 11.239 -15.145 1.00 0.00 H new ATOM 886 N GLY A 61 -7.612 9.332 -11.033 1.00 0.00 N ATOM 887 CA GLY A 61 -8.948 8.863 -10.714 1.00 0.00 C ATOM 888 C GLY A 61 -9.051 8.321 -9.303 1.00 0.00 C ATOM 889 O GLY A 61 -10.130 8.319 -8.708 1.00 0.00 O ATOM 0 H GLY A 61 -6.978 9.393 -10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.656 9.682 -10.838 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.235 8.084 -11.421 1.00 0.00 H new ATOM 893 N LEU A 62 -7.928 7.858 -8.765 1.00 0.00 N ATOM 894 CA LEU A 62 -7.897 7.309 -7.414 1.00 0.00 C ATOM 895 C LEU A 62 -8.656 8.207 -6.443 1.00 0.00 C ATOM 896 O LEU A 62 -8.857 9.394 -6.705 1.00 0.00 O ATOM 897 CB LEU A 62 -6.451 7.139 -6.945 1.00 0.00 C ATOM 898 CG LEU A 62 -5.757 5.842 -7.363 1.00 0.00 C ATOM 899 CD1 LEU A 62 -4.255 6.051 -7.472 1.00 0.00 C ATOM 900 CD2 LEU A 62 -6.072 4.727 -6.377 1.00 0.00 C ATOM 0 H LEU A 62 -7.027 7.852 -9.243 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.384 6.334 -7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.867 7.978 -7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.433 7.203 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.134 5.550 -8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.778 5.117 -7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.048 6.819 -8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.861 6.367 -6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.570 3.812 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.724 5.010 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.149 4.559 -6.350 1.00 0.00 H new ATOM 912 N LYS A 63 -9.074 7.635 -5.319 1.00 0.00 N ATOM 913 CA LYS A 63 -9.808 8.384 -4.306 1.00 0.00 C ATOM 914 C LYS A 63 -9.950 7.569 -3.024 1.00 0.00 C ATOM 915 O LYS A 63 -9.864 6.342 -3.045 1.00 0.00 O ATOM 916 CB LYS A 63 -11.192 8.772 -4.832 1.00 0.00 C ATOM 917 CG LYS A 63 -11.731 10.060 -4.234 1.00 0.00 C ATOM 918 CD LYS A 63 -13.250 10.061 -4.187 1.00 0.00 C ATOM 919 CE LYS A 63 -13.770 9.290 -2.984 1.00 0.00 C ATOM 920 NZ LYS A 63 -13.908 10.162 -1.784 1.00 0.00 N ATOM 0 H LYS A 63 -8.917 6.654 -5.086 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.245 9.290 -4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.143 8.877 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.891 7.963 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.335 10.188 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.384 10.909 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.613 11.088 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.644 9.619 -5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.737 8.849 -3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.092 8.467 -2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.265 9.600 -0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.981 10.563 -1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.575 10.933 -1.990 1.00 0.00 H new ATOM 934 N ALA A 64 -10.170 8.260 -1.910 1.00 0.00 N ATOM 935 CA ALA A 64 -10.327 7.600 -0.620 1.00 0.00 C ATOM 936 C ALA A 64 -11.554 6.695 -0.613 1.00 0.00 C ATOM 937 O ALA A 64 -12.682 7.162 -0.456 1.00 0.00 O ATOM 938 CB ALA A 64 -10.424 8.634 0.493 1.00 0.00 C ATOM 0 H ALA A 64 -10.243 9.277 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.449 6.978 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.541 8.127 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.516 9.237 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.285 9.279 0.316 1.00 0.00 H new ATOM 944 N GLY A 65 -11.327 5.396 -0.783 1.00 0.00 N ATOM 945 CA GLY A 65 -12.424 4.446 -0.794 1.00 0.00 C ATOM 946 C GLY A 65 -12.348 3.485 -1.963 1.00 0.00 C ATOM 947 O GLY A 65 -13.372 3.005 -2.449 1.00 0.00 O ATOM 0 H GLY A 65 -10.403 4.985 -0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.420 3.881 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.369 4.988 -0.834 1.00 0.00 H new ATOM 951 N ASP A 66 -11.132 3.205 -2.418 1.00 0.00 N ATOM 952 CA ASP A 66 -10.925 2.295 -3.539 1.00 0.00 C ATOM 953 C ASP A 66 -10.379 0.954 -3.058 1.00 0.00 C ATOM 954 O ASP A 66 -10.021 0.803 -1.890 1.00 0.00 O ATOM 955 CB ASP A 66 -9.966 2.915 -4.557 1.00 0.00 C ATOM 956 CG ASP A 66 -10.676 3.822 -5.543 1.00 0.00 C ATOM 957 OD1 ASP A 66 -11.452 3.304 -6.372 1.00 0.00 O ATOM 958 OD2 ASP A 66 -10.453 5.050 -5.486 1.00 0.00 O ATOM 0 H ASP A 66 -10.274 3.595 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.889 2.123 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.200 3.484 -4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.455 2.121 -5.101 1.00 0.00 H new ATOM 963 N GLU A 67 -10.319 -0.015 -3.965 1.00 0.00 N ATOM 964 CA GLU A 67 -9.819 -1.343 -3.632 1.00 0.00 C ATOM 965 C GLU A 67 -8.750 -1.787 -4.626 1.00 0.00 C ATOM 966 O GLU A 67 -9.034 -1.999 -5.805 1.00 0.00 O ATOM 967 CB GLU A 67 -10.966 -2.355 -3.613 1.00 0.00 C ATOM 968 CG GLU A 67 -10.502 -3.802 -3.633 1.00 0.00 C ATOM 969 CD GLU A 67 -11.656 -4.785 -3.655 1.00 0.00 C ATOM 970 OE1 GLU A 67 -12.714 -4.447 -4.226 1.00 0.00 O ATOM 971 OE2 GLU A 67 -11.502 -5.893 -3.099 1.00 0.00 O ATOM 0 H GLU A 67 -10.610 0.095 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.370 -1.296 -2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.571 -2.189 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.611 -2.177 -4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.873 -3.966 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.883 -3.993 -2.756 1.00 0.00 H new ATOM 978 N ILE A 68 -7.520 -1.925 -4.142 1.00 0.00 N ATOM 979 CA ILE A 68 -6.409 -2.345 -4.987 1.00 0.00 C ATOM 980 C ILE A 68 -6.472 -3.841 -5.276 1.00 0.00 C ATOM 981 O ILE A 68 -6.607 -4.656 -4.362 1.00 0.00 O ATOM 982 CB ILE A 68 -5.052 -2.015 -4.338 1.00 0.00 C ATOM 983 CG1 ILE A 68 -5.042 -0.571 -3.832 1.00 0.00 C ATOM 984 CG2 ILE A 68 -3.921 -2.243 -5.330 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.365 0.447 -4.902 1.00 0.00 C ATOM 0 H ILE A 68 -7.268 -1.752 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.499 -1.793 -5.923 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.901 -2.679 -3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.763 -0.474 -3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.060 -0.348 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.968 -2.005 -4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.919 -3.286 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.064 -1.601 -6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.340 1.448 -4.471 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.630 0.378 -5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.359 0.250 -5.304 1.00 0.00 H new ATOM 997 N LEU A 69 -6.373 -4.196 -6.552 1.00 0.00 N ATOM 998 CA LEU A 69 -6.416 -5.595 -6.963 1.00 0.00 C ATOM 999 C LEU A 69 -5.011 -6.136 -7.202 1.00 0.00 C ATOM 1000 O LEU A 69 -4.740 -7.312 -6.963 1.00 0.00 O ATOM 1001 CB LEU A 69 -7.258 -5.749 -8.231 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.626 -5.067 -8.215 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -9.128 -4.844 -9.634 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.625 -5.894 -7.419 1.00 0.00 C ATOM 0 H LEU A 69 -6.262 -3.534 -7.320 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.874 -6.170 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.688 -5.355 -9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.407 -6.813 -8.417 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.521 -4.096 -7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.103 -4.358 -9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.424 -4.211 -10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.217 -5.804 -10.143 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.593 -5.393 -7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.726 -6.879 -7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.272 -6.003 -6.393 1.00 0.00 H new ATOM 1016 N GLU A 70 -4.121 -5.269 -7.674 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.742 -5.660 -7.944 1.00 0.00 C ATOM 1018 C GLU A 70 -1.827 -4.440 -7.983 1.00 0.00 C ATOM 1019 O GLU A 70 -2.266 -3.332 -8.294 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.655 -6.419 -9.270 1.00 0.00 C ATOM 1021 CG GLU A 70 -3.072 -7.876 -9.166 1.00 0.00 C ATOM 1022 CD GLU A 70 -4.559 -8.075 -9.391 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -5.151 -7.293 -10.165 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -5.130 -9.011 -8.793 1.00 0.00 O ATOM 0 H GLU A 70 -4.330 -4.292 -7.877 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.412 -6.313 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.286 -5.921 -10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.631 -6.368 -9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.516 -8.462 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.803 -8.258 -8.181 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.555 -4.651 -7.664 1.00 0.00 N ATOM 1032 CA ILE A 71 0.422 -3.569 -7.663 1.00 0.00 C ATOM 1033 C ILE A 71 1.685 -3.968 -8.418 1.00 0.00 C ATOM 1034 O ILE A 71 2.490 -4.758 -7.927 1.00 0.00 O ATOM 1035 CB ILE A 71 0.803 -3.157 -6.229 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.455 -2.929 -5.389 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.667 -1.904 -6.250 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.164 -2.502 -3.968 1.00 0.00 C ATOM 0 H ILE A 71 -0.176 -5.561 -7.403 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.045 -2.721 -8.164 1.00 0.00 H new ATOM 0 HB ILE A 71 1.378 -3.964 -5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.070 -2.168 -5.870 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.041 -3.848 -5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.928 -1.625 -5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.577 -2.099 -6.817 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.115 -1.089 -6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.102 -2.359 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.425 -3.272 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.396 -1.567 -3.977 1.00 0.00 H new ATOM 1050 N ASN A 72 1.853 -3.414 -9.615 1.00 0.00 N ATOM 1051 CA ASN A 72 3.019 -3.711 -10.438 1.00 0.00 C ATOM 1052 C ASN A 72 3.075 -5.195 -10.787 1.00 0.00 C ATOM 1053 O ASN A 72 4.149 -5.796 -10.816 1.00 0.00 O ATOM 1054 CB ASN A 72 4.301 -3.298 -9.711 1.00 0.00 C ATOM 1055 CG ASN A 72 4.478 -1.792 -9.662 1.00 0.00 C ATOM 1056 OD1 ASN A 72 3.659 -1.042 -10.194 1.00 0.00 O ATOM 1057 ND2 ASN A 72 5.551 -1.344 -9.022 1.00 0.00 N ATOM 0 H ASN A 72 1.196 -2.757 -10.036 1.00 0.00 H new ATOM 0 HA ASN A 72 2.934 -3.141 -11.363 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.282 -3.692 -8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.160 -3.746 -10.211 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.724 -0.341 -8.956 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.203 -2.003 -8.596 1.00 0.00 H new ATOM 1064 N ASN A 73 1.911 -5.780 -11.051 1.00 0.00 N ATOM 1065 CA ASN A 73 1.828 -7.194 -11.398 1.00 0.00 C ATOM 1066 C ASN A 73 2.022 -8.069 -10.164 1.00 0.00 C ATOM 1067 O ASN A 73 2.457 -9.217 -10.266 1.00 0.00 O ATOM 1068 CB ASN A 73 2.877 -7.544 -12.456 1.00 0.00 C ATOM 1069 CG ASN A 73 2.999 -6.475 -13.524 1.00 0.00 C ATOM 1070 OD1 ASN A 73 4.091 -5.974 -13.794 1.00 0.00 O ATOM 1071 ND2 ASN A 73 1.876 -6.120 -14.138 1.00 0.00 N ATOM 0 H ASN A 73 1.013 -5.297 -11.031 1.00 0.00 H new ATOM 0 HA ASN A 73 0.835 -7.385 -11.804 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.844 -7.683 -11.973 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.615 -8.493 -12.924 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.897 -5.405 -14.866 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.993 -6.562 -13.882 1.00 0.00 H new ATOM 1078 N ARG A 74 1.696 -7.520 -8.998 1.00 0.00 N ATOM 1079 CA ARG A 74 1.835 -8.251 -7.744 1.00 0.00 C ATOM 1080 C ARG A 74 0.502 -8.321 -7.005 1.00 0.00 C ATOM 1081 O ARG A 74 -0.324 -7.415 -7.107 1.00 0.00 O ATOM 1082 CB ARG A 74 2.888 -7.585 -6.856 1.00 0.00 C ATOM 1083 CG ARG A 74 4.264 -7.506 -7.497 1.00 0.00 C ATOM 1084 CD ARG A 74 5.084 -8.755 -7.211 1.00 0.00 C ATOM 1085 NE ARG A 74 4.616 -9.905 -7.979 1.00 0.00 N ATOM 1086 CZ ARG A 74 4.942 -11.161 -7.695 1.00 0.00 C ATOM 1087 NH1 ARG A 74 5.734 -11.426 -6.665 1.00 0.00 N ATOM 1088 NH2 ARG A 74 4.476 -12.154 -8.441 1.00 0.00 N ATOM 0 H ARG A 74 1.334 -6.572 -8.896 1.00 0.00 H new ATOM 0 HA ARG A 74 2.155 -9.266 -7.977 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.555 -6.578 -6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.964 -8.138 -5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.158 -7.378 -8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.792 -6.629 -7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.131 -8.563 -7.447 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.034 -8.985 -6.147 1.00 0.00 H new ATOM 0 HE ARG A 74 4.005 -9.735 -8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.094 -10.665 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.983 -12.391 -6.448 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.867 -11.954 -9.234 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.727 -13.118 -8.222 1.00 0.00 H new ATOM 1102 N ALA A 75 0.299 -9.405 -6.263 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.933 -9.594 -5.507 1.00 0.00 C ATOM 1104 C ALA A 75 -0.903 -8.801 -4.204 1.00 0.00 C ATOM 1105 O ALA A 75 -0.093 -9.074 -3.319 1.00 0.00 O ATOM 1106 CB ALA A 75 -1.157 -11.071 -5.223 1.00 0.00 C ATOM 0 H ALA A 75 0.972 -10.166 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.761 -9.222 -6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.081 -11.197 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.231 -11.615 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.321 -11.461 -4.643 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.791 -7.819 -4.094 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.868 -6.988 -2.899 1.00 0.00 C ATOM 1114 C ALA A 76 -1.584 -7.805 -1.643 1.00 0.00 C ATOM 1115 O ALA A 76 -0.636 -7.525 -0.910 1.00 0.00 O ATOM 1116 CB ALA A 76 -3.234 -6.326 -2.803 1.00 0.00 C ATOM 0 H ALA A 76 -2.468 -7.579 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.106 -6.213 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.277 -5.709 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.398 -5.702 -3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.007 -7.093 -2.753 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.412 -8.816 -1.401 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.250 -9.674 -0.234 1.00 0.00 C ATOM 1124 C ASP A 77 -0.825 -10.211 -0.148 1.00 0.00 C ATOM 1125 O ASP A 77 -0.277 -10.373 0.942 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.244 -10.836 -0.287 1.00 0.00 C ATOM 1127 CG ASP A 77 -2.683 -12.044 -1.011 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -2.696 -12.047 -2.260 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -2.232 -12.987 -0.328 1.00 0.00 O ATOM 0 H ASP A 77 -3.202 -9.061 -1.998 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.448 -9.077 0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.521 -11.120 0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.156 -10.508 -0.786 1.00 0.00 H new ATOM 1134 N ALA A 78 -0.231 -10.486 -1.304 1.00 0.00 N ATOM 1135 CA ALA A 78 1.131 -11.003 -1.359 1.00 0.00 C ATOM 1136 C ALA A 78 2.133 -9.967 -0.861 1.00 0.00 C ATOM 1137 O ALA A 78 3.193 -10.314 -0.340 1.00 0.00 O ATOM 1138 CB ALA A 78 1.475 -11.433 -2.778 1.00 0.00 C ATOM 0 H ALA A 78 -0.671 -10.360 -2.215 1.00 0.00 H new ATOM 0 HA ALA A 78 1.190 -11.871 -0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.495 -11.817 -2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.785 -12.213 -3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.392 -10.577 -3.448 1.00 0.00 H new ATOM 1144 N LEU A 79 1.790 -8.694 -1.024 1.00 0.00 N ATOM 1145 CA LEU A 79 2.661 -7.606 -0.591 1.00 0.00 C ATOM 1146 C LEU A 79 2.405 -7.254 0.871 1.00 0.00 C ATOM 1147 O LEU A 79 1.304 -6.848 1.239 1.00 0.00 O ATOM 1148 CB LEU A 79 2.445 -6.373 -1.470 1.00 0.00 C ATOM 1149 CG LEU A 79 2.588 -6.589 -2.977 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.867 -5.493 -3.744 1.00 0.00 C ATOM 1151 CD2 LEU A 79 4.057 -6.640 -3.370 1.00 0.00 C ATOM 0 H LEU A 79 0.916 -8.390 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 79 3.694 -7.938 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.447 -5.981 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.155 -5.605 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 79 2.130 -7.544 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.980 -5.664 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.808 -5.503 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.295 -4.525 -3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.141 -6.794 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.539 -5.700 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.545 -7.462 -2.847 1.00 0.00 H new ATOM 1163 N ASN A 80 3.432 -7.410 1.700 1.00 0.00 N ATOM 1164 CA ASN A 80 3.320 -7.107 3.122 1.00 0.00 C ATOM 1165 C ASN A 80 3.690 -5.653 3.400 1.00 0.00 C ATOM 1166 O ASN A 80 4.156 -4.940 2.511 1.00 0.00 O ATOM 1167 CB ASN A 80 4.219 -8.039 3.937 1.00 0.00 C ATOM 1168 CG ASN A 80 5.615 -8.151 3.353 1.00 0.00 C ATOM 1169 OD1 ASN A 80 6.080 -7.253 2.652 1.00 0.00 O ATOM 1170 ND2 ASN A 80 6.289 -9.259 3.640 1.00 0.00 N ATOM 0 H ASN A 80 4.351 -7.745 1.411 1.00 0.00 H new ATOM 0 HA ASN A 80 2.283 -7.262 3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.285 -7.672 4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.766 -9.029 3.982 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.232 -9.391 3.275 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.863 -9.978 4.226 1.00 0.00 H new ATOM 1177 N SER A 81 3.481 -5.221 4.639 1.00 0.00 N ATOM 1178 CA SER A 81 3.790 -3.852 5.033 1.00 0.00 C ATOM 1179 C SER A 81 5.205 -3.470 4.609 1.00 0.00 C ATOM 1180 O SER A 81 5.456 -2.342 4.185 1.00 0.00 O ATOM 1181 CB SER A 81 3.637 -3.687 6.547 1.00 0.00 C ATOM 1182 OG SER A 81 4.303 -4.727 7.242 1.00 0.00 O ATOM 0 H SER A 81 3.099 -5.799 5.387 1.00 0.00 H new ATOM 0 HA SER A 81 3.087 -3.188 4.529 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.042 -2.723 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.580 -3.687 6.811 1.00 0.00 H new ATOM 0 HG SER A 81 4.192 -4.599 8.207 1.00 0.00 H new ATOM 1188 N SER A 82 6.128 -4.420 4.727 1.00 0.00 N ATOM 1189 CA SER A 82 7.519 -4.184 4.360 1.00 0.00 C ATOM 1190 C SER A 82 7.642 -3.862 2.874 1.00 0.00 C ATOM 1191 O SER A 82 8.080 -2.775 2.498 1.00 0.00 O ATOM 1192 CB SER A 82 8.373 -5.408 4.700 1.00 0.00 C ATOM 1193 OG SER A 82 8.699 -5.434 6.079 1.00 0.00 O ATOM 0 H SER A 82 5.937 -5.360 5.074 1.00 0.00 H new ATOM 0 HA SER A 82 7.879 -3.328 4.931 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.834 -6.317 4.433 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.287 -5.394 4.107 1.00 0.00 H new ATOM 0 HG SER A 82 9.243 -6.226 6.272 1.00 0.00 H new ATOM 1199 N MET A 83 7.252 -4.815 2.034 1.00 0.00 N ATOM 1200 CA MET A 83 7.317 -4.633 0.589 1.00 0.00 C ATOM 1201 C MET A 83 6.602 -3.352 0.170 1.00 0.00 C ATOM 1202 O MET A 83 7.145 -2.544 -0.585 1.00 0.00 O ATOM 1203 CB MET A 83 6.696 -5.834 -0.127 1.00 0.00 C ATOM 1204 CG MET A 83 7.667 -6.985 -0.335 1.00 0.00 C ATOM 1205 SD MET A 83 6.854 -8.481 -0.929 1.00 0.00 S ATOM 1206 CE MET A 83 6.726 -9.422 0.590 1.00 0.00 C ATOM 0 H MET A 83 6.888 -5.721 2.329 1.00 0.00 H new ATOM 0 HA MET A 83 8.366 -4.553 0.305 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.842 -6.189 0.450 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.314 -5.512 -1.096 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.433 -6.684 -1.050 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.175 -7.201 0.605 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.008 -10.458 0.401 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.393 -8.995 1.340 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.699 -9.386 0.955 1.00 0.00 H new ATOM 1216 N LEU A 84 5.381 -3.173 0.662 1.00 0.00 N ATOM 1217 CA LEU A 84 4.591 -1.990 0.338 1.00 0.00 C ATOM 1218 C LEU A 84 5.411 -0.718 0.532 1.00 0.00 C ATOM 1219 O LEU A 84 5.474 0.134 -0.354 1.00 0.00 O ATOM 1220 CB LEU A 84 3.334 -1.938 1.208 1.00 0.00 C ATOM 1221 CG LEU A 84 2.162 -2.805 0.747 1.00 0.00 C ATOM 1222 CD1 LEU A 84 1.202 -3.062 1.899 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.437 -2.146 -0.417 1.00 0.00 C ATOM 0 H LEU A 84 4.916 -3.832 1.287 1.00 0.00 H new ATOM 0 HA LEU A 84 4.298 -2.055 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.605 -2.237 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.996 -0.903 1.261 1.00 0.00 H new ATOM 0 HG LEU A 84 2.555 -3.764 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.374 -3.681 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.728 -3.577 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.815 -2.113 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.606 -2.777 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.056 -1.173 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.129 -2.015 -1.249 1.00 0.00 H new ATOM 1235 N LYS A 85 6.039 -0.597 1.697 1.00 0.00 N ATOM 1236 CA LYS A 85 6.858 0.568 2.008 1.00 0.00 C ATOM 1237 C LYS A 85 7.874 0.830 0.900 1.00 0.00 C ATOM 1238 O LYS A 85 8.069 1.971 0.481 1.00 0.00 O ATOM 1239 CB LYS A 85 7.583 0.367 3.341 1.00 0.00 C ATOM 1240 CG LYS A 85 7.941 1.667 4.040 1.00 0.00 C ATOM 1241 CD LYS A 85 9.012 1.455 5.097 1.00 0.00 C ATOM 1242 CE LYS A 85 10.390 1.303 4.471 1.00 0.00 C ATOM 1243 NZ LYS A 85 11.371 0.718 5.426 1.00 0.00 N ATOM 0 H LYS A 85 5.996 -1.293 2.442 1.00 0.00 H new ATOM 0 HA LYS A 85 6.200 1.433 2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.953 -0.229 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.494 -0.205 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.292 2.392 3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.050 2.089 4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.016 2.299 5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.777 0.566 5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.320 0.668 3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.746 2.277 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.298 0.631 4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.457 1.337 6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.044 -0.222 5.727 1.00 0.00 H new ATOM 1257 N ASP A 86 8.517 -0.233 0.429 1.00 0.00 N ATOM 1258 CA ASP A 86 9.510 -0.118 -0.632 1.00 0.00 C ATOM 1259 C ASP A 86 8.854 0.283 -1.949 1.00 0.00 C ATOM 1260 O ASP A 86 9.446 0.999 -2.757 1.00 0.00 O ATOM 1261 CB ASP A 86 10.260 -1.440 -0.803 1.00 0.00 C ATOM 1262 CG ASP A 86 11.452 -1.314 -1.732 1.00 0.00 C ATOM 1263 OD1 ASP A 86 12.405 -0.588 -1.378 1.00 0.00 O ATOM 1264 OD2 ASP A 86 11.432 -1.941 -2.811 1.00 0.00 O ATOM 0 H ASP A 86 8.368 -1.184 0.766 1.00 0.00 H new ATOM 0 HA ASP A 86 10.220 0.659 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.598 -1.791 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.577 -2.194 -1.194 1.00 0.00 H new ATOM 1269 N PHE A 87 7.628 -0.184 -2.160 1.00 0.00 N ATOM 1270 CA PHE A 87 6.892 0.124 -3.381 1.00 0.00 C ATOM 1271 C PHE A 87 6.513 1.601 -3.430 1.00 0.00 C ATOM 1272 O PHE A 87 6.585 2.238 -4.481 1.00 0.00 O ATOM 1273 CB PHE A 87 5.632 -0.740 -3.474 1.00 0.00 C ATOM 1274 CG PHE A 87 5.852 -2.045 -4.185 1.00 0.00 C ATOM 1275 CD1 PHE A 87 6.934 -2.849 -3.866 1.00 0.00 C ATOM 1276 CD2 PHE A 87 4.976 -2.468 -5.171 1.00 0.00 C ATOM 1277 CE1 PHE A 87 7.139 -4.050 -4.519 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.175 -3.668 -5.827 1.00 0.00 C ATOM 1279 CZ PHE A 87 6.258 -4.461 -5.500 1.00 0.00 C ATOM 0 H PHE A 87 7.123 -0.777 -1.501 1.00 0.00 H new ATOM 0 HA PHE A 87 7.539 -0.096 -4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.264 -0.941 -2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.854 -0.179 -3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.625 -2.534 -3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.127 -1.853 -5.430 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.988 -4.667 -4.262 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.485 -3.986 -6.594 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.415 -5.400 -6.010 1.00 0.00 H new ATOM 1289 N LEU A 88 6.109 2.140 -2.285 1.00 0.00 N ATOM 1290 CA LEU A 88 5.719 3.543 -2.195 1.00 0.00 C ATOM 1291 C LEU A 88 6.944 4.450 -2.186 1.00 0.00 C ATOM 1292 O LEU A 88 6.839 5.656 -2.411 1.00 0.00 O ATOM 1293 CB LEU A 88 4.884 3.781 -0.935 1.00 0.00 C ATOM 1294 CG LEU A 88 3.482 3.171 -0.934 1.00 0.00 C ATOM 1295 CD1 LEU A 88 2.811 3.379 0.416 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.638 3.771 -2.049 1.00 0.00 C ATOM 0 H LEU A 88 6.043 1.627 -1.406 1.00 0.00 H new ATOM 0 HA LEU A 88 5.119 3.784 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.432 3.384 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.791 4.856 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 88 3.573 2.099 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.814 2.939 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.405 2.901 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.732 4.446 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.644 3.325 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.555 4.848 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.110 3.570 -3.011 1.00 0.00 H new ATOM 1308 N SER A 89 8.108 3.862 -1.926 1.00 0.00 N ATOM 1309 CA SER A 89 9.354 4.618 -1.886 1.00 0.00 C ATOM 1310 C SER A 89 9.822 4.970 -3.295 1.00 0.00 C ATOM 1311 O SER A 89 10.653 5.857 -3.480 1.00 0.00 O ATOM 1312 CB SER A 89 10.438 3.816 -1.162 1.00 0.00 C ATOM 1313 OG SER A 89 11.527 4.646 -0.797 1.00 0.00 O ATOM 0 H SER A 89 8.214 2.865 -1.740 1.00 0.00 H new ATOM 0 HA SER A 89 9.171 5.544 -1.341 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.017 3.351 -0.271 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.790 3.010 -1.806 1.00 0.00 H new ATOM 0 HG SER A 89 12.206 4.111 -0.335 1.00 0.00 H new ATOM 1319 N GLN A 90 9.280 4.266 -4.284 1.00 0.00 N ATOM 1320 CA GLN A 90 9.642 4.503 -5.677 1.00 0.00 C ATOM 1321 C GLN A 90 8.904 5.717 -6.232 1.00 0.00 C ATOM 1322 O GLN A 90 7.804 6.058 -5.797 1.00 0.00 O ATOM 1323 CB GLN A 90 9.328 3.269 -6.525 1.00 0.00 C ATOM 1324 CG GLN A 90 9.702 1.958 -5.853 1.00 0.00 C ATOM 1325 CD GLN A 90 11.137 1.553 -6.122 1.00 0.00 C ATOM 1326 OE1 GLN A 90 11.691 1.854 -7.180 1.00 0.00 O ATOM 1327 NE2 GLN A 90 11.749 0.866 -5.164 1.00 0.00 N ATOM 0 H GLN A 90 8.590 3.528 -4.147 1.00 0.00 H new ATOM 0 HA GLN A 90 10.713 4.701 -5.719 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.263 3.258 -6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.859 3.346 -7.474 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.550 2.049 -4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.035 1.171 -6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.252 0.638 -4.303 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.716 0.566 -5.289 1.00 0.00 H new ATOM 1336 N PRO A 91 9.522 6.387 -7.215 1.00 0.00 N ATOM 1337 CA PRO A 91 8.942 7.574 -7.851 1.00 0.00 C ATOM 1338 C PRO A 91 7.729 7.237 -8.711 1.00 0.00 C ATOM 1339 O PRO A 91 6.756 7.990 -8.752 1.00 0.00 O ATOM 1340 CB PRO A 91 10.084 8.104 -8.722 1.00 0.00 C ATOM 1341 CG PRO A 91 10.931 6.911 -9.004 1.00 0.00 C ATOM 1342 CD PRO A 91 10.835 6.038 -7.783 1.00 0.00 C ATOM 0 HA PRO A 91 8.579 8.293 -7.117 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.706 8.548 -9.643 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.650 8.878 -8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.579 6.383 -9.890 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.964 7.202 -9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.893 4.980 -8.040 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.643 6.240 -7.080 1.00 0.00 H new ATOM 1350 N SER A 92 7.793 6.099 -9.396 1.00 0.00 N ATOM 1351 CA SER A 92 6.700 5.663 -10.257 1.00 0.00 C ATOM 1352 C SER A 92 6.062 4.385 -9.722 1.00 0.00 C ATOM 1353 O SER A 92 6.738 3.538 -9.136 1.00 0.00 O ATOM 1354 CB SER A 92 7.206 5.435 -11.683 1.00 0.00 C ATOM 1355 OG SER A 92 6.398 4.494 -12.367 1.00 0.00 O ATOM 0 H SER A 92 8.590 5.463 -9.371 1.00 0.00 H new ATOM 0 HA SER A 92 5.944 6.448 -10.268 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.209 6.380 -12.227 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.237 5.081 -11.654 1.00 0.00 H new ATOM 0 HG SER A 92 6.742 4.367 -13.276 1.00 0.00 H new ATOM 1361 N LEU A 93 4.756 4.253 -9.926 1.00 0.00 N ATOM 1362 CA LEU A 93 4.025 3.078 -9.464 1.00 0.00 C ATOM 1363 C LEU A 93 2.796 2.826 -10.332 1.00 0.00 C ATOM 1364 O LEU A 93 2.235 3.752 -10.916 1.00 0.00 O ATOM 1365 CB LEU A 93 3.604 3.256 -8.004 1.00 0.00 C ATOM 1366 CG LEU A 93 4.627 2.824 -6.953 1.00 0.00 C ATOM 1367 CD1 LEU A 93 4.382 3.549 -5.639 1.00 0.00 C ATOM 1368 CD2 LEU A 93 4.578 1.317 -6.750 1.00 0.00 C ATOM 0 H LEU A 93 4.182 4.945 -10.408 1.00 0.00 H new ATOM 0 HA LEU A 93 4.686 2.215 -9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.367 4.307 -7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.685 2.693 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 93 5.622 3.091 -7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.120 3.228 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.469 4.624 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.382 3.315 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.313 1.027 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.582 1.027 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.804 0.816 -7.691 1.00 0.00 H new ATOM 1380 N GLY A 94 2.382 1.565 -10.411 1.00 0.00 N ATOM 1381 CA GLY A 94 1.221 1.213 -11.208 1.00 0.00 C ATOM 1382 C GLY A 94 0.205 0.404 -10.426 1.00 0.00 C ATOM 1383 O GLY A 94 0.483 -0.722 -10.012 1.00 0.00 O ATOM 0 H GLY A 94 2.830 0.781 -9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.749 2.123 -11.578 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.542 0.643 -12.080 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.975 0.978 -10.222 1.00 0.00 N ATOM 1388 CA LEU A 95 -2.037 0.303 -9.483 1.00 0.00 C ATOM 1389 C LEU A 95 -3.129 -0.189 -10.427 1.00 0.00 C ATOM 1390 O LEU A 95 -3.295 0.335 -11.529 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.636 1.246 -8.438 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.636 1.996 -7.559 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.329 3.116 -6.798 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -0.950 1.040 -6.595 1.00 0.00 C ATOM 0 H LEU A 95 -1.221 1.909 -10.558 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.603 -0.560 -8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.257 1.979 -8.953 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.295 0.667 -7.791 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.876 2.438 -8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.601 3.639 -6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.772 3.817 -7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.111 2.696 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.242 1.592 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.697 0.568 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.419 0.273 -7.159 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.873 -1.198 -9.988 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.952 -1.761 -10.792 1.00 0.00 C ATOM 1408 C LEU A 96 -6.250 -1.823 -9.994 1.00 0.00 C ATOM 1409 O LEU A 96 -6.403 -2.657 -9.102 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.573 -3.159 -11.283 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.549 -3.814 -12.261 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.440 -3.170 -13.635 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.290 -5.311 -12.350 1.00 0.00 C ATOM 0 H LEU A 96 -3.749 -1.643 -9.079 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.108 -1.111 -11.653 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.595 -3.102 -11.760 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.467 -3.811 -10.416 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.563 -3.662 -11.890 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.142 -3.649 -14.318 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.675 -2.108 -13.559 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.425 -3.291 -14.014 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.994 -5.761 -13.050 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.271 -5.484 -12.697 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.419 -5.762 -11.366 1.00 0.00 H new ATOM 1425 N VAL A 97 -7.185 -0.937 -10.323 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.472 -0.893 -9.640 1.00 0.00 C ATOM 1427 C VAL A 97 -9.621 -1.114 -10.617 1.00 0.00 C ATOM 1428 O VAL A 97 -9.453 -0.976 -11.829 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.678 0.451 -8.916 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.750 0.560 -7.717 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.461 1.611 -9.876 1.00 0.00 C ATOM 0 H VAL A 97 -7.075 -0.240 -11.059 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.467 -1.696 -8.903 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.705 0.495 -8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.910 1.516 -7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.959 -0.252 -7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.715 0.494 -8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.610 2.553 -9.348 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.445 1.573 -10.269 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.172 1.540 -10.699 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.788 -1.456 -10.082 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.966 -1.696 -10.908 1.00 0.00 C ATOM 1443 C ARG A 98 -12.845 -0.450 -10.977 1.00 0.00 C ATOM 1444 O ARG A 98 -12.918 0.326 -10.023 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.772 -2.872 -10.353 1.00 0.00 C ATOM 1446 CG ARG A 98 -12.355 -4.218 -10.922 1.00 0.00 C ATOM 1447 CD ARG A 98 -13.445 -5.262 -10.738 1.00 0.00 C ATOM 1448 NE ARG A 98 -13.157 -6.490 -11.474 1.00 0.00 N ATOM 1449 CZ ARG A 98 -13.218 -6.585 -12.798 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -13.555 -5.530 -13.526 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -12.941 -7.737 -13.395 1.00 0.00 N ATOM 0 H ARG A 98 -10.944 -1.573 -9.081 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.629 -1.938 -11.916 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.664 -2.896 -9.269 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.829 -2.709 -10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.127 -4.111 -11.983 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -11.441 -4.554 -10.432 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.552 -5.491 -9.678 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.398 -4.854 -11.073 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.895 -7.320 -10.943 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.768 -4.643 -13.070 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.601 -5.605 -14.542 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.681 -8.551 -12.838 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.988 -7.809 -14.411 1.00 0.00 H new ATOM 1465 N THR A 99 -13.510 -0.264 -12.112 1.00 0.00 N ATOM 1466 CA THR A 99 -14.383 0.887 -12.307 1.00 0.00 C ATOM 1467 C THR A 99 -15.630 0.505 -13.096 1.00 0.00 C ATOM 1468 O THR A 99 -15.702 -0.579 -13.675 1.00 0.00 O ATOM 1469 CB THR A 99 -13.653 2.027 -13.042 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.429 3.228 -12.977 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.400 1.658 -14.496 1.00 0.00 C ATOM 0 H THR A 99 -13.461 -0.896 -12.911 1.00 0.00 H new ATOM 0 HA THR A 99 -14.676 1.233 -11.316 1.00 0.00 H new ATOM 0 HB THR A 99 -12.693 2.189 -12.552 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.957 3.948 -13.445 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.884 2.478 -14.995 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.784 0.760 -14.542 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.351 1.471 -14.995 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.609 1.402 -13.117 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.854 1.158 -13.834 1.00 0.00 C ATOM 1481 C TYR A 100 -17.855 1.871 -15.183 1.00 0.00 C ATOM 1482 O TYR A 100 -17.576 3.066 -15.283 1.00 0.00 O ATOM 1483 CB TYR A 100 -19.048 1.623 -12.999 1.00 0.00 C ATOM 1484 CG TYR A 100 -18.900 1.340 -11.521 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -18.115 2.153 -10.713 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -19.546 0.260 -10.932 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -17.976 1.898 -9.363 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.414 -0.002 -9.582 1.00 0.00 C ATOM 1489 CZ TYR A 100 -18.628 0.820 -8.802 1.00 0.00 C ATOM 1490 OH TYR A 100 -18.493 0.563 -7.457 1.00 0.00 O ATOM 0 H TYR A 100 -16.564 2.305 -12.645 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.937 0.086 -14.010 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -19.186 2.695 -13.143 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -19.950 1.133 -13.366 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -17.604 2.999 -11.148 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -20.162 -0.386 -11.540 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.360 2.539 -8.750 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -19.923 -0.846 -9.140 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.017 -0.231 -7.221 1.00 0.00 H new