USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 671 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 18 CYS SG : rot 73:sc= 1.11 USER MOD Set 1.2: A 61 MET CE :methyl 173:sc= -0.0213 (180deg=-0.0804) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -124:sc= 0.00179 (180deg=-0.00196) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= 0.958 K(o=0.96,f=-3!) USER MOD Single : A 31 GLN : amide:sc= 0.378 X(o=0.38,f=0) USER MOD Single : A 36 MET CE :methyl 177:sc= -0.269 (180deg=-0.299) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.263 K(o=-0.26,f=-0.85) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 82:sc= 0.236 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0.024) USER MOD Single : A 52 GLN : amide:sc= 0.275 X(o=0.28,f=0) USER MOD Single : A 53 THR OG1 : rot 12:sc= 0.423 USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= 1.14 (180deg=0.781) USER MOD Single : A 57 THR OG1 : rot 24:sc= -0.183 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0.0033) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -87:sc= -0.604! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0.055) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 145 N VAL A 10 185.915 11.425 13.188 1.00 0.00 N ATOM 146 CA VAL A 10 187.076 11.364 12.288 1.00 0.00 C ATOM 147 C VAL A 10 188.172 10.448 12.849 1.00 0.00 C ATOM 148 O VAL A 10 188.867 9.765 12.092 1.00 0.00 O ATOM 149 CB VAL A 10 187.680 12.771 11.986 1.00 0.00 C ATOM 150 CG1 VAL A 10 186.828 13.505 10.959 1.00 0.00 C ATOM 151 CG2 VAL A 10 187.836 13.625 13.249 1.00 0.00 C ATOM 0 HA VAL A 10 186.704 10.950 11.351 1.00 0.00 H new ATOM 0 HB VAL A 10 188.678 12.608 11.580 1.00 0.00 H new ATOM 0 HG11 VAL A 10 187.262 14.485 10.759 1.00 0.00 H new ATOM 0 HG12 VAL A 10 186.794 12.928 10.035 1.00 0.00 H new ATOM 0 HG13 VAL A 10 185.817 13.629 11.347 1.00 0.00 H new ATOM 0 HG21 VAL A 10 188.260 14.593 12.983 1.00 0.00 H new ATOM 0 HG22 VAL A 10 186.860 13.771 13.712 1.00 0.00 H new ATOM 0 HG23 VAL A 10 188.499 13.119 13.951 1.00 0.00 H new ATOM 161 N SER A 11 188.310 10.449 14.183 1.00 0.00 N ATOM 162 CA SER A 11 189.309 9.629 14.879 1.00 0.00 C ATOM 163 C SER A 11 188.825 8.186 15.089 1.00 0.00 C ATOM 164 O SER A 11 189.627 7.298 15.391 1.00 0.00 O ATOM 165 CB SER A 11 189.650 10.262 16.229 1.00 0.00 C ATOM 166 OG SER A 11 190.327 11.495 16.058 1.00 0.00 O ATOM 0 H SER A 11 187.735 11.016 14.806 1.00 0.00 H new ATOM 0 HA SER A 11 190.199 9.591 14.251 1.00 0.00 H new ATOM 0 HB2 SER A 11 188.736 10.422 16.800 1.00 0.00 H new ATOM 0 HB3 SER A 11 190.272 9.579 16.808 1.00 0.00 H new ATOM 0 HG SER A 11 190.532 11.880 16.936 1.00 0.00 H new ATOM 171 N ALA A 12 187.513 7.969 14.925 1.00 0.00 N ATOM 172 CA ALA A 12 186.910 6.643 15.091 1.00 0.00 C ATOM 173 C ALA A 12 186.741 5.918 13.752 1.00 0.00 C ATOM 174 O ALA A 12 186.536 4.700 13.725 1.00 0.00 O ATOM 175 CB ALA A 12 185.566 6.765 15.794 1.00 0.00 C ATOM 0 H ALA A 12 186.847 8.700 14.676 1.00 0.00 H new ATOM 0 HA ALA A 12 187.588 6.048 15.703 1.00 0.00 H new ATOM 0 HB1 ALA A 12 185.126 5.775 15.913 1.00 0.00 H new ATOM 0 HB2 ALA A 12 185.708 7.219 16.775 1.00 0.00 H new ATOM 0 HB3 ALA A 12 184.899 7.389 15.199 1.00 0.00 H new ATOM 181 N GLU A 13 186.832 6.675 12.648 1.00 0.00 N ATOM 182 CA GLU A 13 186.690 6.118 11.294 1.00 0.00 C ATOM 183 C GLU A 13 188.038 5.672 10.719 1.00 0.00 C ATOM 184 O GLU A 13 188.082 4.835 9.812 1.00 0.00 O ATOM 185 CB GLU A 13 186.043 7.146 10.359 1.00 0.00 C ATOM 186 CG GLU A 13 184.556 7.349 10.603 1.00 0.00 C ATOM 187 CD GLU A 13 183.940 8.350 9.644 1.00 0.00 C ATOM 188 OE1 GLU A 13 183.471 7.930 8.565 1.00 0.00 O ATOM 189 OE2 GLU A 13 183.926 9.556 9.971 1.00 0.00 O1- ATOM 0 H GLU A 13 187.004 7.680 12.667 1.00 0.00 H new ATOM 0 HA GLU A 13 186.048 5.240 11.369 1.00 0.00 H new ATOM 0 HB2 GLU A 13 186.554 8.102 10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 13 186.192 6.829 9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 13 184.041 6.393 10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 13 184.403 7.690 11.627 1.00 0.00 H new ATOM 196 N VAL A 14 189.131 6.238 11.254 1.00 0.00 N ATOM 197 CA VAL A 14 190.498 5.913 10.805 1.00 0.00 C ATOM 198 C VAL A 14 190.988 4.565 11.355 1.00 0.00 C ATOM 199 O VAL A 14 191.679 3.819 10.655 1.00 0.00 O ATOM 200 CB VAL A 14 191.523 7.019 11.183 1.00 0.00 C ATOM 201 CG1 VAL A 14 191.453 8.168 10.190 1.00 0.00 C ATOM 202 CG2 VAL A 14 191.320 7.542 12.609 1.00 0.00 C ATOM 0 H VAL A 14 189.096 6.928 12.004 1.00 0.00 H new ATOM 0 HA VAL A 14 190.436 5.848 9.719 1.00 0.00 H new ATOM 0 HB VAL A 14 192.512 6.564 11.143 1.00 0.00 H new ATOM 0 HG11 VAL A 14 192.177 8.934 10.468 1.00 0.00 H new ATOM 0 HG12 VAL A 14 191.682 7.799 9.190 1.00 0.00 H new ATOM 0 HG13 VAL A 14 190.450 8.596 10.198 1.00 0.00 H new ATOM 0 HG21 VAL A 14 192.061 8.312 12.823 1.00 0.00 H new ATOM 0 HG22 VAL A 14 190.320 7.965 12.703 1.00 0.00 H new ATOM 0 HG23 VAL A 14 191.435 6.721 13.317 1.00 0.00 H new ATOM 212 N GLY A 15 190.621 4.271 12.612 1.00 0.00 N ATOM 213 CA GLY A 15 191.013 3.018 13.269 1.00 0.00 C ATOM 214 C GLY A 15 190.539 1.766 12.535 1.00 0.00 C ATOM 215 O GLY A 15 191.244 0.753 12.511 1.00 0.00 O ATOM 0 H GLY A 15 190.052 4.887 13.193 1.00 0.00 H new ATOM 0 HA2 GLY A 15 192.099 2.988 13.356 1.00 0.00 H new ATOM 0 HA3 GLY A 15 190.612 3.008 14.282 1.00 0.00 H new ATOM 219 N GLU A 16 189.344 1.849 11.928 1.00 0.00 N ATOM 220 CA GLU A 16 188.761 0.728 11.172 1.00 0.00 C ATOM 221 C GLU A 16 189.422 0.583 9.797 1.00 0.00 C ATOM 222 O GLU A 16 189.553 -0.529 9.276 1.00 0.00 O ATOM 223 CB GLU A 16 187.249 0.919 11.005 1.00 0.00 C ATOM 224 CG GLU A 16 186.454 0.689 12.284 1.00 0.00 C ATOM 225 CD GLU A 16 184.964 0.883 12.084 1.00 0.00 C ATOM 226 OE1 GLU A 16 184.485 2.023 12.261 1.00 0.00 O ATOM 227 OE2 GLU A 16 184.276 -0.104 11.752 1.00 0.00 O1- ATOM 0 H GLU A 16 188.760 2.685 11.946 1.00 0.00 H new ATOM 0 HA GLU A 16 188.944 -0.184 11.740 1.00 0.00 H new ATOM 0 HB2 GLU A 16 187.058 1.930 10.647 1.00 0.00 H new ATOM 0 HB3 GLU A 16 186.889 0.235 10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 16 186.640 -0.322 12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 16 186.806 1.374 13.055 1.00 0.00 H new ATOM 234 N LYS A 17 189.845 1.724 9.228 1.00 0.00 N ATOM 235 CA LYS A 17 190.516 1.758 7.921 1.00 0.00 C ATOM 236 C LYS A 17 191.964 1.274 8.041 1.00 0.00 C ATOM 237 O LYS A 17 192.493 0.642 7.122 1.00 0.00 O ATOM 238 CB LYS A 17 190.482 3.174 7.335 1.00 0.00 C ATOM 239 CG LYS A 17 189.113 3.583 6.806 1.00 0.00 C ATOM 240 CD LYS A 17 189.122 5.012 6.281 1.00 0.00 C ATOM 241 CE LYS A 17 187.771 5.409 5.703 1.00 0.00 C ATOM 242 NZ LYS A 17 186.748 5.635 6.765 1.00 0.00 N1+ ATOM 0 H LYS A 17 189.732 2.642 9.659 1.00 0.00 H new ATOM 0 HA LYS A 17 189.980 1.087 7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 17 190.792 3.883 8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 17 191.210 3.241 6.526 1.00 0.00 H new ATOM 0 HG2 LYS A 17 188.812 2.903 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 17 188.372 3.491 7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 17 189.387 5.695 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 17 189.890 5.113 5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 17 187.884 6.317 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 17 187.424 4.628 5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 185.924 5.025 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 187.156 5.407 7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 186.450 6.631 6.753 1.00 0.00 H new ATOM 256 N CYS A 18 192.591 1.581 9.190 1.00 0.00 N ATOM 257 CA CYS A 18 193.972 1.170 9.475 1.00 0.00 C ATOM 258 C CYS A 18 194.041 -0.333 9.775 1.00 0.00 C ATOM 259 O CYS A 18 194.969 -1.023 9.338 1.00 0.00 O ATOM 260 CB CYS A 18 194.532 1.968 10.655 1.00 0.00 C ATOM 261 SG CYS A 18 194.586 3.754 10.380 1.00 0.00 S ATOM 0 H CYS A 18 192.156 2.117 9.941 1.00 0.00 H new ATOM 0 HA CYS A 18 194.577 1.374 8.592 1.00 0.00 H new ATOM 0 HB2 CYS A 18 193.925 1.765 11.537 1.00 0.00 H new ATOM 0 HB3 CYS A 18 195.540 1.614 10.873 1.00 0.00 H new ATOM 0 HG CYS A 18 193.380 4.236 10.423 1.00 0.00 H new ATOM 267 N GLU A 19 193.036 -0.827 10.518 1.00 0.00 N ATOM 268 CA GLU A 19 192.939 -2.249 10.880 1.00 0.00 C ATOM 269 C GLU A 19 192.599 -3.114 9.661 1.00 0.00 C ATOM 270 O GLU A 19 193.081 -4.245 9.539 1.00 0.00 O ATOM 271 CB GLU A 19 191.884 -2.456 11.971 1.00 0.00 C ATOM 272 CG GLU A 19 192.329 -1.996 13.353 1.00 0.00 C ATOM 273 CD GLU A 19 191.265 -2.213 14.410 1.00 0.00 C ATOM 274 OE1 GLU A 19 191.256 -3.299 15.028 1.00 0.00 O ATOM 275 OE2 GLU A 19 190.441 -1.298 14.621 1.00 0.00 O1- ATOM 0 H GLU A 19 192.274 -0.255 10.882 1.00 0.00 H new ATOM 0 HA GLU A 19 193.913 -2.558 11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 19 190.978 -1.918 11.694 1.00 0.00 H new ATOM 0 HB3 GLU A 19 191.625 -3.514 12.017 1.00 0.00 H new ATOM 0 HG2 GLU A 19 193.233 -2.534 13.637 1.00 0.00 H new ATOM 0 HG3 GLU A 19 192.587 -0.938 13.314 1.00 0.00 H new ATOM 282 N ALA A 20 191.776 -2.558 8.754 1.00 0.00 N ATOM 283 CA ALA A 20 191.362 -3.254 7.528 1.00 0.00 C ATOM 284 C ALA A 20 192.502 -3.336 6.512 1.00 0.00 C ATOM 285 O ALA A 20 192.667 -4.357 5.839 1.00 0.00 O ATOM 286 CB ALA A 20 190.150 -2.568 6.914 1.00 0.00 C ATOM 0 H ALA A 20 191.383 -1.622 8.851 1.00 0.00 H new ATOM 0 HA ALA A 20 191.092 -4.274 7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 20 189.855 -3.095 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 20 189.325 -2.581 7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 20 190.401 -1.536 6.669 1.00 0.00 H new ATOM 292 N ILE A 21 193.290 -2.255 6.419 1.00 0.00 N ATOM 293 CA ILE A 21 194.440 -2.196 5.506 1.00 0.00 C ATOM 294 C ILE A 21 195.597 -3.070 6.042 1.00 0.00 C ATOM 295 O ILE A 21 196.415 -3.571 5.266 1.00 0.00 O ATOM 296 CB ILE A 21 194.895 -0.714 5.248 1.00 0.00 C ATOM 297 CG1 ILE A 21 195.884 -0.621 4.070 1.00 0.00 C ATOM 298 CG2 ILE A 21 195.498 -0.064 6.494 1.00 0.00 C ATOM 299 CD1 ILE A 21 195.218 -0.517 2.713 1.00 0.00 C ATOM 0 H ILE A 21 193.151 -1.406 6.968 1.00 0.00 H new ATOM 0 HA ILE A 21 194.134 -2.601 4.542 1.00 0.00 H new ATOM 0 HB ILE A 21 193.992 -0.161 4.989 1.00 0.00 H new ATOM 0 HG12 ILE A 21 196.526 0.248 4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 21 196.529 -1.500 4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 21 195.796 0.959 6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 21 194.757 -0.054 7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 21 196.371 -0.633 6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 21 195.981 -0.456 1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 21 194.598 -1.397 2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 21 194.595 0.377 2.681 1.00 0.00 H new ATOM 311 N GLY A 22 195.639 -3.234 7.379 1.00 0.00 N ATOM 312 CA GLY A 22 196.658 -4.060 8.024 1.00 0.00 C ATOM 313 C GLY A 22 196.431 -5.549 7.788 1.00 0.00 C ATOM 314 O GLY A 22 197.377 -6.283 7.475 1.00 0.00 O ATOM 0 H GLY A 22 194.977 -2.803 8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 22 197.642 -3.780 7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 22 196.659 -3.860 9.096 1.00 0.00 H new ATOM 318 N VAL A 23 195.163 -5.990 7.918 1.00 0.00 N ATOM 319 CA VAL A 23 194.798 -7.403 7.695 1.00 0.00 C ATOM 320 C VAL A 23 194.891 -7.769 6.207 1.00 0.00 C ATOM 321 O VAL A 23 195.299 -8.880 5.855 1.00 0.00 O ATOM 322 CB VAL A 23 193.381 -7.756 8.238 1.00 0.00 C ATOM 323 CG1 VAL A 23 193.425 -7.937 9.748 1.00 0.00 C ATOM 324 CG2 VAL A 23 192.338 -6.701 7.865 1.00 0.00 C ATOM 0 H VAL A 23 194.379 -5.391 8.175 1.00 0.00 H new ATOM 0 HA VAL A 23 195.520 -7.994 8.259 1.00 0.00 H new ATOM 0 HB VAL A 23 193.080 -8.692 7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 23 192.428 -8.183 10.114 1.00 0.00 H new ATOM 0 HG12 VAL A 23 194.113 -8.745 9.998 1.00 0.00 H new ATOM 0 HG13 VAL A 23 193.765 -7.013 10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 23 191.367 -6.992 8.266 1.00 0.00 H new ATOM 0 HG22 VAL A 23 192.629 -5.737 8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 23 192.273 -6.621 6.780 1.00 0.00 H new ATOM 334 N LYS A 24 194.527 -6.804 5.347 1.00 0.00 N ATOM 335 CA LYS A 24 194.582 -6.975 3.888 1.00 0.00 C ATOM 336 C LYS A 24 196.034 -7.021 3.399 1.00 0.00 C ATOM 337 O LYS A 24 196.350 -7.732 2.442 1.00 0.00 O ATOM 338 CB LYS A 24 193.835 -5.836 3.187 1.00 0.00 C ATOM 339 CG LYS A 24 192.320 -5.961 3.256 1.00 0.00 C ATOM 340 CD LYS A 24 191.634 -4.715 2.722 1.00 0.00 C ATOM 341 CE LYS A 24 190.123 -4.876 2.702 1.00 0.00 C ATOM 342 NZ LYS A 24 189.441 -3.659 2.177 1.00 0.00 N1+ ATOM 0 H LYS A 24 194.188 -5.888 5.642 1.00 0.00 H new ATOM 0 HA LYS A 24 194.100 -7.921 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 24 194.133 -4.888 3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 24 194.140 -5.803 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 24 191.999 -6.829 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 24 192.015 -6.132 4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 24 191.901 -3.858 3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 24 191.992 -4.505 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 24 189.858 -5.735 2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 24 189.767 -5.085 3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 188.412 -3.809 2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 189.673 -2.844 2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 189.761 -3.474 1.205 1.00 0.00 H new ATOM 356 N LEU A 25 196.909 -6.262 4.083 1.00 0.00 N ATOM 357 CA LEU A 25 198.342 -6.201 3.760 1.00 0.00 C ATOM 358 C LEU A 25 199.037 -7.527 4.104 1.00 0.00 C ATOM 359 O LEU A 25 199.897 -7.995 3.354 1.00 0.00 O ATOM 360 CB LEU A 25 199.004 -5.039 4.517 1.00 0.00 C ATOM 361 CG LEU A 25 200.287 -4.470 3.890 1.00 0.00 C ATOM 362 CD1 LEU A 25 200.419 -2.990 4.210 1.00 0.00 C ATOM 363 CD2 LEU A 25 201.515 -5.224 4.386 1.00 0.00 C ATOM 0 H LEU A 25 196.641 -5.676 4.873 1.00 0.00 H new ATOM 0 HA LEU A 25 198.447 -6.031 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 25 198.278 -4.231 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 25 199.235 -5.375 5.528 1.00 0.00 H new ATOM 0 HG LEU A 25 200.221 -4.595 2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 25 201.332 -2.600 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 25 199.559 -2.453 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 25 200.461 -2.854 5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 25 202.410 -4.803 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 25 201.585 -5.133 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 25 201.430 -6.276 4.115 1.00 0.00 H new ATOM 375 N LEU A 26 198.645 -8.124 5.245 1.00 0.00 N ATOM 376 CA LEU A 26 199.206 -9.408 5.697 1.00 0.00 C ATOM 377 C LEU A 26 198.764 -10.563 4.788 1.00 0.00 C ATOM 378 O LEU A 26 199.553 -11.470 4.497 1.00 0.00 O ATOM 379 CB LEU A 26 198.795 -9.693 7.149 1.00 0.00 C ATOM 380 CG LEU A 26 199.455 -8.801 8.211 1.00 0.00 C ATOM 381 CD1 LEU A 26 198.557 -8.680 9.433 1.00 0.00 C ATOM 382 CD2 LEU A 26 200.818 -9.351 8.612 1.00 0.00 C ATOM 0 H LEU A 26 197.940 -7.735 5.871 1.00 0.00 H new ATOM 0 HA LEU A 26 200.292 -9.331 5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 26 197.713 -9.584 7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 26 199.029 -10.733 7.377 1.00 0.00 H new ATOM 0 HG LEU A 26 199.599 -7.810 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 26 199.038 -8.045 10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 26 197.604 -8.239 9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 26 198.385 -9.669 9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 26 201.265 -8.702 9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 26 200.699 -10.354 9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 26 201.466 -9.391 7.737 1.00 0.00 H new ATOM 394 N HIS A 27 197.502 -10.505 4.333 1.00 0.00 N ATOM 395 CA HIS A 27 196.937 -11.525 3.435 1.00 0.00 C ATOM 396 C HIS A 27 197.534 -11.417 2.025 1.00 0.00 C ATOM 397 O HIS A 27 197.701 -12.430 1.338 1.00 0.00 O ATOM 398 CB HIS A 27 195.414 -11.399 3.367 1.00 0.00 C ATOM 399 CG HIS A 27 194.704 -12.058 4.511 1.00 0.00 C ATOM 400 ND1 HIS A 27 194.153 -11.355 5.562 1.00 0.00 N ATOM 401 CD2 HIS A 27 194.448 -13.365 4.761 1.00 0.00 C ATOM 402 CE1 HIS A 27 193.592 -12.200 6.410 1.00 0.00 C ATOM 403 NE2 HIS A 27 193.757 -13.424 5.945 1.00 0.00 N ATOM 0 H HIS A 27 196.851 -9.758 4.574 1.00 0.00 H new ATOM 0 HA HIS A 27 197.194 -12.502 3.843 1.00 0.00 H new ATOM 0 HB2 HIS A 27 195.146 -10.343 3.345 1.00 0.00 H new ATOM 0 HB3 HIS A 27 195.063 -11.837 2.432 1.00 0.00 H new ATOM 0 HD1 HIS A 27 194.175 -10.341 5.668 1.00 0.00 H new ATOM 0 HD2 HIS A 27 194.734 -14.204 4.144 1.00 0.00 H new ATOM 0 HE1 HIS A 27 193.086 -11.934 7.326 1.00 0.00 H new ATOM 412 N LEU A 28 197.861 -10.178 1.611 1.00 0.00 N ATOM 413 CA LEU A 28 198.462 -9.918 0.296 1.00 0.00 C ATOM 414 C LEU A 28 199.937 -10.332 0.269 1.00 0.00 C ATOM 415 O LEU A 28 200.452 -10.742 -0.774 1.00 0.00 O ATOM 416 CB LEU A 28 198.329 -8.435 -0.078 1.00 0.00 C ATOM 417 CG LEU A 28 196.929 -7.977 -0.512 1.00 0.00 C ATOM 418 CD1 LEU A 28 196.775 -6.477 -0.306 1.00 0.00 C ATOM 419 CD2 LEU A 28 196.664 -8.333 -1.973 1.00 0.00 C ATOM 0 H LEU A 28 197.717 -9.340 2.174 1.00 0.00 H new ATOM 0 HA LEU A 28 197.922 -10.518 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 28 198.638 -7.835 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 28 199.028 -8.220 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 28 196.198 -8.498 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 28 195.778 -6.167 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 28 196.916 -6.238 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 28 197.521 -5.950 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 28 195.666 -7.997 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 28 197.403 -7.843 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 28 196.733 -9.413 -2.103 1.00 0.00 H new ATOM 431 N GLU A 29 200.603 -10.228 1.434 1.00 0.00 N ATOM 432 CA GLU A 29 202.020 -10.604 1.575 1.00 0.00 C ATOM 433 C GLU A 29 202.187 -12.126 1.538 1.00 0.00 C ATOM 434 O GLU A 29 203.121 -12.640 0.911 1.00 0.00 O ATOM 435 CB GLU A 29 202.600 -10.042 2.882 1.00 0.00 C ATOM 436 CG GLU A 29 202.878 -8.543 2.848 1.00 0.00 C ATOM 437 CD GLU A 29 204.181 -8.200 2.145 1.00 0.00 C ATOM 438 OE1 GLU A 29 205.172 -7.903 2.844 1.00 0.00 O ATOM 439 OE2 GLU A 29 204.208 -8.231 0.896 1.00 0.00 O1- ATOM 0 H GLU A 29 200.178 -9.884 2.295 1.00 0.00 H new ATOM 0 HA GLU A 29 202.567 -10.176 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 29 201.905 -10.253 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 29 203.527 -10.567 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 29 202.055 -8.037 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 29 202.910 -8.161 3.868 1.00 0.00 H new ATOM 446 N ASP A 30 201.261 -12.835 2.206 1.00 0.00 N ATOM 447 CA ASP A 30 201.265 -14.303 2.246 1.00 0.00 C ATOM 448 C ASP A 30 200.902 -14.882 0.870 1.00 0.00 C ATOM 449 O ASP A 30 201.471 -15.891 0.441 1.00 0.00 O ATOM 450 CB ASP A 30 200.281 -14.805 3.311 1.00 0.00 C ATOM 451 CG ASP A 30 200.643 -16.180 3.848 1.00 0.00 C ATOM 452 OD1 ASP A 30 201.398 -16.250 4.841 1.00 0.00 O ATOM 453 OD2 ASP A 30 200.170 -17.184 3.274 1.00 0.00 O1- ATOM 0 H ASP A 30 200.496 -12.409 2.729 1.00 0.00 H new ATOM 0 HA ASP A 30 202.268 -14.640 2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 30 200.253 -14.094 4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 30 199.278 -14.839 2.885 1.00 0.00 H new ATOM 458 N GLN A 31 199.953 -14.217 0.187 1.00 0.00 N ATOM 459 CA GLN A 31 199.506 -14.622 -1.155 1.00 0.00 C ATOM 460 C GLN A 31 200.549 -14.268 -2.223 1.00 0.00 C ATOM 461 O GLN A 31 200.605 -14.905 -3.278 1.00 0.00 O ATOM 462 CB GLN A 31 198.166 -13.959 -1.497 1.00 0.00 C ATOM 463 CG GLN A 31 196.977 -14.559 -0.761 1.00 0.00 C ATOM 464 CD GLN A 31 195.668 -13.883 -1.123 1.00 0.00 C ATOM 465 OE1 GLN A 31 194.984 -14.294 -2.060 1.00 0.00 O ATOM 466 NE2 GLN A 31 195.313 -12.843 -0.379 1.00 0.00 N ATOM 0 H GLN A 31 199.478 -13.390 0.548 1.00 0.00 H new ATOM 0 HA GLN A 31 199.379 -15.705 -1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 31 198.227 -12.896 -1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 31 197.995 -14.040 -2.570 1.00 0.00 H new ATOM 0 HG2 GLN A 31 196.909 -15.622 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 31 197.140 -14.476 0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 31 195.911 -12.537 0.388 1.00 0.00 H new ATOM 0 HE22 GLN A 31 194.442 -12.350 -0.574 1.00 0.00 H new ATOM 475 N LEU A 32 201.375 -13.246 -1.929 1.00 0.00 N ATOM 476 CA LEU A 32 202.438 -12.791 -2.841 1.00 0.00 C ATOM 477 C LEU A 32 203.598 -13.791 -2.865 1.00 0.00 C ATOM 478 O LEU A 32 204.109 -14.134 -3.938 1.00 0.00 O ATOM 479 CB LEU A 32 202.930 -11.393 -2.413 1.00 0.00 C ATOM 480 CG LEU A 32 203.673 -10.579 -3.482 1.00 0.00 C ATOM 481 CD1 LEU A 32 203.398 -9.093 -3.304 1.00 0.00 C ATOM 482 CD2 LEU A 32 205.172 -10.843 -3.416 1.00 0.00 C ATOM 0 H LEU A 32 201.324 -12.717 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 32 202.032 -12.727 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 32 202.069 -10.814 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 32 203.589 -11.510 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 32 203.308 -10.891 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 32 203.932 -8.530 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 32 202.328 -8.907 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 32 203.737 -8.776 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 32 205.679 -10.256 -4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 32 205.548 -10.559 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 32 205.363 -11.903 -3.585 1.00 0.00 H new ATOM 494 N LEU A 33 203.995 -14.262 -1.674 1.00 0.00 N ATOM 495 CA LEU A 33 205.077 -15.244 -1.534 1.00 0.00 C ATOM 496 C LEU A 33 204.625 -16.622 -2.027 1.00 0.00 C ATOM 497 O LEU A 33 205.415 -17.374 -2.607 1.00 0.00 O ATOM 498 CB LEU A 33 205.538 -15.328 -0.073 1.00 0.00 C ATOM 499 CG LEU A 33 206.301 -14.101 0.440 1.00 0.00 C ATOM 500 CD1 LEU A 33 206.001 -13.868 1.912 1.00 0.00 C ATOM 501 CD2 LEU A 33 207.800 -14.270 0.226 1.00 0.00 C ATOM 0 H LEU A 33 203.578 -13.975 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 33 205.916 -14.917 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 33 204.664 -15.483 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 33 206.174 -16.206 0.041 1.00 0.00 H new ATOM 0 HG LEU A 33 205.969 -13.231 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 33 206.550 -12.994 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 33 204.932 -13.702 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 33 206.306 -14.742 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 33 208.322 -13.388 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 33 208.147 -15.151 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 33 208.004 -14.392 -0.838 1.00 0.00 H new ATOM 513 N GLY A 34 203.338 -16.931 -1.790 1.00 0.00 N ATOM 514 CA GLY A 34 202.752 -18.195 -2.227 1.00 0.00 C ATOM 515 C GLY A 34 202.542 -18.259 -3.735 1.00 0.00 C ATOM 516 O GLY A 34 202.595 -19.342 -4.326 1.00 0.00 O ATOM 0 H GLY A 34 202.689 -16.317 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 34 203.400 -19.016 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 34 201.795 -18.339 -1.725 1.00 0.00 H new ATOM 520 N ALA A 35 202.302 -17.087 -4.354 1.00 0.00 N ATOM 521 CA ALA A 35 202.091 -16.987 -5.804 1.00 0.00 C ATOM 522 C ALA A 35 203.417 -16.984 -6.573 1.00 0.00 C ATOM 523 O ALA A 35 203.482 -17.468 -7.706 1.00 0.00 O ATOM 524 CB ALA A 35 201.290 -15.737 -6.134 1.00 0.00 C ATOM 0 H ALA A 35 202.250 -16.193 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 35 201.530 -17.867 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 35 201.141 -15.675 -7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 35 200.322 -15.783 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 35 201.833 -14.856 -5.791 1.00 0.00 H new ATOM 530 N MET A 36 204.470 -16.435 -5.942 1.00 0.00 N ATOM 531 CA MET A 36 205.808 -16.365 -6.549 1.00 0.00 C ATOM 532 C MET A 36 206.555 -17.701 -6.444 1.00 0.00 C ATOM 533 O MET A 36 207.344 -18.044 -7.329 1.00 0.00 O ATOM 534 CB MET A 36 206.637 -15.262 -5.891 1.00 0.00 C ATOM 535 CG MET A 36 206.282 -13.862 -6.365 1.00 0.00 C ATOM 536 SD MET A 36 207.333 -12.595 -5.630 1.00 0.00 S ATOM 537 CE MET A 36 206.767 -11.139 -6.503 1.00 0.00 C ATOM 0 H MET A 36 204.418 -16.032 -5.007 1.00 0.00 H new ATOM 0 HA MET A 36 205.669 -16.137 -7.606 1.00 0.00 H new ATOM 0 HB2 MET A 36 206.502 -15.315 -4.811 1.00 0.00 H new ATOM 0 HB3 MET A 36 207.693 -15.446 -6.090 1.00 0.00 H new ATOM 0 HG2 MET A 36 206.369 -13.817 -7.451 1.00 0.00 H new ATOM 0 HG3 MET A 36 205.241 -13.652 -6.120 1.00 0.00 H new ATOM 0 HE1 MET A 36 207.286 -10.260 -6.120 1.00 0.00 H new ATOM 0 HE2 MET A 36 206.975 -11.249 -7.567 1.00 0.00 H new ATOM 0 HE3 MET A 36 205.694 -11.020 -6.354 1.00 0.00 H new ATOM 547 N TYR A 37 206.297 -18.443 -5.356 1.00 0.00 N ATOM 548 CA TYR A 37 206.936 -19.744 -5.121 1.00 0.00 C ATOM 549 C TYR A 37 206.236 -20.864 -5.907 1.00 0.00 C ATOM 550 O TYR A 37 206.897 -21.756 -6.449 1.00 0.00 O ATOM 551 CB TYR A 37 206.936 -20.067 -3.621 1.00 0.00 C ATOM 552 CG TYR A 37 208.042 -21.008 -3.192 1.00 0.00 C ATOM 553 CD1 TYR A 37 207.850 -22.385 -3.193 1.00 0.00 C ATOM 554 CD2 TYR A 37 209.278 -20.520 -2.787 1.00 0.00 C ATOM 555 CE1 TYR A 37 208.857 -23.247 -2.803 1.00 0.00 C ATOM 556 CE2 TYR A 37 210.291 -21.375 -2.396 1.00 0.00 C ATOM 557 CZ TYR A 37 210.076 -22.737 -2.406 1.00 0.00 C ATOM 558 OH TYR A 37 211.081 -23.591 -2.016 1.00 0.00 O ATOM 0 H TYR A 37 205.647 -18.161 -4.623 1.00 0.00 H new ATOM 0 HA TYR A 37 207.965 -19.683 -5.475 1.00 0.00 H new ATOM 0 HB2 TYR A 37 207.027 -19.137 -3.060 1.00 0.00 H new ATOM 0 HB3 TYR A 37 205.975 -20.507 -3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 37 206.897 -22.788 -3.504 1.00 0.00 H new ATOM 0 HD2 TYR A 37 209.450 -19.454 -2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 37 208.691 -24.314 -2.809 1.00 0.00 H new ATOM 0 HE2 TYR A 37 211.246 -20.978 -2.084 1.00 0.00 H new ATOM 0 HH TYR A 37 211.874 -23.071 -1.768 1.00 0.00 H new ATOM 568 N SER A 38 204.899 -20.800 -5.956 1.00 0.00 N ATOM 569 CA SER A 38 204.086 -21.794 -6.669 1.00 0.00 C ATOM 570 C SER A 38 203.922 -21.436 -8.153 1.00 0.00 C ATOM 571 O SER A 38 203.721 -22.319 -8.990 1.00 0.00 O ATOM 572 CB SER A 38 202.711 -21.919 -6.007 1.00 0.00 C ATOM 573 OG SER A 38 201.988 -23.025 -6.520 1.00 0.00 O ATOM 0 H SER A 38 204.354 -20.064 -5.507 1.00 0.00 H new ATOM 0 HA SER A 38 204.607 -22.750 -6.613 1.00 0.00 H new ATOM 0 HB2 SER A 38 202.833 -22.031 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 38 202.142 -21.003 -6.170 1.00 0.00 H new ATOM 0 HG SER A 38 201.116 -23.079 -6.077 1.00 0.00 H new ATOM 579 N HIS A 39 204.009 -20.122 -8.467 1.00 0.00 N ATOM 580 CA HIS A 39 203.873 -19.591 -9.846 1.00 0.00 C ATOM 581 C HIS A 39 202.478 -19.865 -10.427 1.00 0.00 C ATOM 582 O HIS A 39 202.137 -21.009 -10.749 1.00 0.00 O ATOM 583 CB HIS A 39 204.964 -20.145 -10.784 1.00 0.00 C ATOM 584 CG HIS A 39 206.346 -19.679 -10.445 1.00 0.00 C ATOM 585 ND1 HIS A 39 206.975 -18.640 -11.102 1.00 0.00 N ATOM 586 CD2 HIS A 39 207.225 -20.116 -9.510 1.00 0.00 C ATOM 587 CE1 HIS A 39 208.178 -18.460 -10.588 1.00 0.00 C ATOM 588 NE2 HIS A 39 208.354 -19.342 -9.621 1.00 0.00 N ATOM 0 H HIS A 39 204.176 -19.397 -7.769 1.00 0.00 H new ATOM 0 HA HIS A 39 204.004 -18.511 -9.777 1.00 0.00 H new ATOM 0 HB2 HIS A 39 204.940 -21.234 -10.751 1.00 0.00 H new ATOM 0 HB3 HIS A 39 204.733 -19.852 -11.808 1.00 0.00 H new ATOM 0 HD2 HIS A 39 207.067 -20.922 -8.809 1.00 0.00 H new ATOM 0 HE1 HIS A 39 208.896 -17.718 -10.905 1.00 0.00 H new ATOM 0 HE2 HIS A 39 209.193 -19.434 -9.049 1.00 0.00 H new ATOM 597 N ASP A 40 201.678 -18.795 -10.539 1.00 0.00 N ATOM 598 CA ASP A 40 200.313 -18.878 -11.074 1.00 0.00 C ATOM 599 C ASP A 40 199.978 -17.633 -11.901 1.00 0.00 C ATOM 600 O ASP A 40 200.681 -16.622 -11.823 1.00 0.00 O ATOM 601 CB ASP A 40 199.299 -19.039 -9.931 1.00 0.00 C ATOM 602 CG ASP A 40 199.351 -20.415 -9.295 1.00 0.00 C ATOM 603 OD1 ASP A 40 200.124 -20.594 -8.329 1.00 0.00 O ATOM 604 OD2 ASP A 40 198.621 -21.314 -9.763 1.00 0.00 O1- ATOM 0 H ASP A 40 201.957 -17.854 -10.263 1.00 0.00 H new ATOM 0 HA ASP A 40 200.255 -19.752 -11.723 1.00 0.00 H new ATOM 0 HB2 ASP A 40 199.492 -18.283 -9.170 1.00 0.00 H new ATOM 0 HB3 ASP A 40 198.294 -18.857 -10.313 1.00 0.00 H new ATOM 609 N GLU A 41 198.901 -17.719 -12.695 1.00 0.00 N ATOM 610 CA GLU A 41 198.465 -16.603 -13.542 1.00 0.00 C ATOM 611 C GLU A 41 197.261 -15.875 -12.940 1.00 0.00 C ATOM 612 O GLU A 41 197.205 -14.642 -12.957 1.00 0.00 O ATOM 613 CB GLU A 41 198.122 -17.102 -14.955 1.00 0.00 C ATOM 614 CG GLU A 41 199.336 -17.498 -15.792 1.00 0.00 C ATOM 615 CD GLU A 41 200.053 -16.303 -16.399 1.00 0.00 C ATOM 616 OE1 GLU A 41 199.694 -15.907 -17.528 1.00 0.00 O ATOM 617 OE2 GLU A 41 200.971 -15.766 -15.744 1.00 0.00 O1- ATOM 0 H GLU A 41 198.316 -18.552 -12.767 1.00 0.00 H new ATOM 0 HA GLU A 41 199.292 -15.896 -13.602 1.00 0.00 H new ATOM 0 HB2 GLU A 41 197.456 -17.961 -14.873 1.00 0.00 H new ATOM 0 HB3 GLU A 41 197.572 -16.321 -15.480 1.00 0.00 H new ATOM 0 HG2 GLU A 41 200.035 -18.056 -15.168 1.00 0.00 H new ATOM 0 HG3 GLU A 41 199.017 -18.168 -16.591 1.00 0.00 H new ATOM 624 N ALA A 42 196.305 -16.651 -12.406 1.00 0.00 N ATOM 625 CA ALA A 42 195.080 -16.108 -11.792 1.00 0.00 C ATOM 626 C ALA A 42 195.358 -15.323 -10.504 1.00 0.00 C ATOM 627 O ALA A 42 194.721 -14.292 -10.249 1.00 0.00 O ATOM 628 CB ALA A 42 194.095 -17.232 -11.518 1.00 0.00 C ATOM 0 H ALA A 42 196.358 -17.669 -12.387 1.00 0.00 H new ATOM 0 HA ALA A 42 194.650 -15.404 -12.505 1.00 0.00 H new ATOM 0 HB1 ALA A 42 193.193 -16.822 -11.064 1.00 0.00 H new ATOM 0 HB2 ALA A 42 193.838 -17.727 -12.455 1.00 0.00 H new ATOM 0 HB3 ALA A 42 194.547 -17.954 -10.838 1.00 0.00 H new ATOM 634 N LEU A 43 196.318 -15.812 -9.708 1.00 0.00 N ATOM 635 CA LEU A 43 196.695 -15.180 -8.433 1.00 0.00 C ATOM 636 C LEU A 43 197.428 -13.848 -8.634 1.00 0.00 C ATOM 637 O LEU A 43 197.343 -12.961 -7.782 1.00 0.00 O ATOM 638 CB LEU A 43 197.562 -16.134 -7.601 1.00 0.00 C ATOM 639 CG LEU A 43 196.806 -17.268 -6.894 1.00 0.00 C ATOM 640 CD1 LEU A 43 196.568 -18.444 -7.834 1.00 0.00 C ATOM 641 CD2 LEU A 43 197.571 -17.722 -5.660 1.00 0.00 C ATOM 0 H LEU A 43 196.854 -16.652 -9.926 1.00 0.00 H new ATOM 0 HA LEU A 43 195.770 -14.965 -7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 43 198.315 -16.575 -8.254 1.00 0.00 H new ATOM 0 HB3 LEU A 43 198.094 -15.551 -6.849 1.00 0.00 H new ATOM 0 HG LEU A 43 195.834 -16.884 -6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 43 196.031 -19.230 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 43 195.977 -18.113 -8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 43 197.526 -18.830 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 43 197.024 -18.526 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 43 198.557 -18.081 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 43 197.681 -16.884 -4.971 1.00 0.00 H new ATOM 653 N PHE A 44 198.138 -13.716 -9.767 1.00 0.00 N ATOM 654 CA PHE A 44 198.880 -12.487 -10.091 1.00 0.00 C ATOM 655 C PHE A 44 197.939 -11.368 -10.553 1.00 0.00 C ATOM 656 O PHE A 44 198.176 -10.193 -10.260 1.00 0.00 O ATOM 657 CB PHE A 44 199.933 -12.763 -11.166 1.00 0.00 C ATOM 658 CG PHE A 44 201.306 -13.026 -10.611 1.00 0.00 C ATOM 659 CD1 PHE A 44 201.693 -14.308 -10.250 1.00 0.00 C ATOM 660 CD2 PHE A 44 202.211 -11.990 -10.451 1.00 0.00 C ATOM 661 CE1 PHE A 44 202.954 -14.549 -9.740 1.00 0.00 C ATOM 662 CE2 PHE A 44 203.474 -12.224 -9.941 1.00 0.00 C ATOM 663 CZ PHE A 44 203.846 -13.506 -9.584 1.00 0.00 C ATOM 0 H PHE A 44 198.213 -14.447 -10.475 1.00 0.00 H new ATOM 0 HA PHE A 44 199.379 -12.155 -9.181 1.00 0.00 H new ATOM 0 HB2 PHE A 44 199.619 -13.623 -11.758 1.00 0.00 H new ATOM 0 HB3 PHE A 44 199.981 -11.910 -11.843 1.00 0.00 H new ATOM 0 HD1 PHE A 44 201.000 -15.128 -10.369 1.00 0.00 H new ATOM 0 HD2 PHE A 44 201.926 -10.986 -10.728 1.00 0.00 H new ATOM 0 HE1 PHE A 44 203.242 -15.552 -9.463 1.00 0.00 H new ATOM 0 HE2 PHE A 44 204.169 -11.406 -9.822 1.00 0.00 H new ATOM 0 HZ PHE A 44 204.832 -13.692 -9.184 1.00 0.00 H new ATOM 673 N GLN A 45 196.864 -11.751 -11.260 1.00 0.00 N ATOM 674 CA GLN A 45 195.862 -10.794 -11.757 1.00 0.00 C ATOM 675 C GLN A 45 195.011 -10.256 -10.604 1.00 0.00 C ATOM 676 O GLN A 45 194.731 -9.053 -10.537 1.00 0.00 O ATOM 677 CB GLN A 45 194.966 -11.448 -12.816 1.00 0.00 C ATOM 678 CG GLN A 45 195.658 -11.678 -14.152 1.00 0.00 C ATOM 679 CD GLN A 45 194.745 -12.324 -15.177 1.00 0.00 C ATOM 680 OE1 GLN A 45 194.055 -11.639 -15.930 1.00 0.00 O ATOM 681 NE2 GLN A 45 194.739 -13.652 -15.211 1.00 0.00 N ATOM 0 H GLN A 45 196.666 -12.722 -11.501 1.00 0.00 H new ATOM 0 HA GLN A 45 196.391 -9.960 -12.218 1.00 0.00 H new ATOM 0 HB2 GLN A 45 194.607 -12.404 -12.434 1.00 0.00 H new ATOM 0 HB3 GLN A 45 194.090 -10.819 -12.975 1.00 0.00 H new ATOM 0 HG2 GLN A 45 196.017 -10.725 -14.540 1.00 0.00 H new ATOM 0 HG3 GLN A 45 196.533 -12.310 -14.000 1.00 0.00 H new ATOM 0 HE21 GLN A 45 195.328 -14.181 -14.568 1.00 0.00 H new ATOM 0 HE22 GLN A 45 194.146 -14.142 -15.880 1.00 0.00 H new ATOM 690 N SER A 46 194.618 -11.163 -9.695 1.00 0.00 N ATOM 691 CA SER A 46 193.821 -10.809 -8.512 1.00 0.00 C ATOM 692 C SER A 46 194.644 -9.979 -7.519 1.00 0.00 C ATOM 693 O SER A 46 194.114 -9.083 -6.858 1.00 0.00 O ATOM 694 CB SER A 46 193.299 -12.073 -7.828 1.00 0.00 C ATOM 695 OG SER A 46 192.483 -12.830 -8.704 1.00 0.00 O ATOM 0 H SER A 46 194.843 -12.156 -9.760 1.00 0.00 H new ATOM 0 HA SER A 46 192.976 -10.206 -8.844 1.00 0.00 H new ATOM 0 HB2 SER A 46 194.139 -12.681 -7.493 1.00 0.00 H new ATOM 0 HB3 SER A 46 192.728 -11.800 -6.940 1.00 0.00 H new ATOM 0 HG SER A 46 193.049 -13.373 -9.291 1.00 0.00 H new ATOM 701 N LEU A 47 195.948 -10.296 -7.434 1.00 0.00 N ATOM 702 CA LEU A 47 196.887 -9.594 -6.548 1.00 0.00 C ATOM 703 C LEU A 47 197.178 -8.172 -7.046 1.00 0.00 C ATOM 704 O LEU A 47 197.376 -7.256 -6.244 1.00 0.00 O ATOM 705 CB LEU A 47 198.197 -10.389 -6.432 1.00 0.00 C ATOM 706 CG LEU A 47 199.003 -10.177 -5.142 1.00 0.00 C ATOM 707 CD1 LEU A 47 198.474 -11.058 -4.015 1.00 0.00 C ATOM 708 CD2 LEU A 47 200.476 -10.458 -5.388 1.00 0.00 C ATOM 0 H LEU A 47 196.378 -11.045 -7.977 1.00 0.00 H new ATOM 0 HA LEU A 47 196.422 -9.515 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 47 197.964 -11.450 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 47 198.832 -10.131 -7.280 1.00 0.00 H new ATOM 0 HG LEU A 47 198.890 -9.136 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 47 199.063 -10.888 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 47 197.431 -10.811 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 47 198.550 -12.106 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 47 201.035 -10.304 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 47 200.599 -11.489 -5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 47 200.852 -9.783 -6.157 1.00 0.00 H new ATOM 720 N GLN A 48 197.195 -8.003 -8.380 1.00 0.00 N ATOM 721 CA GLN A 48 197.448 -6.697 -9.013 1.00 0.00 C ATOM 722 C GLN A 48 196.246 -5.757 -8.866 1.00 0.00 C ATOM 723 O GLN A 48 196.418 -4.557 -8.623 1.00 0.00 O ATOM 724 CB GLN A 48 197.792 -6.875 -10.496 1.00 0.00 C ATOM 725 CG GLN A 48 199.212 -7.359 -10.743 1.00 0.00 C ATOM 726 CD GLN A 48 199.527 -7.517 -12.216 1.00 0.00 C ATOM 727 OE1 GLN A 48 199.322 -8.584 -12.796 1.00 0.00 O ATOM 728 NE2 GLN A 48 200.029 -6.451 -12.832 1.00 0.00 N ATOM 0 H GLN A 48 197.035 -8.760 -9.044 1.00 0.00 H new ATOM 0 HA GLN A 48 198.297 -6.245 -8.500 1.00 0.00 H new ATOM 0 HB2 GLN A 48 197.094 -7.586 -10.939 1.00 0.00 H new ATOM 0 HB3 GLN A 48 197.648 -5.924 -11.009 1.00 0.00 H new ATOM 0 HG2 GLN A 48 199.914 -6.654 -10.299 1.00 0.00 H new ATOM 0 HG3 GLN A 48 199.359 -8.315 -10.240 1.00 0.00 H new ATOM 0 HE21 GLN A 48 200.183 -5.587 -12.312 1.00 0.00 H new ATOM 0 HE22 GLN A 48 200.260 -6.497 -13.824 1.00 0.00 H new ATOM 737 N GLY A 49 195.035 -6.319 -9.003 1.00 0.00 N ATOM 738 CA GLY A 49 193.803 -5.537 -8.868 1.00 0.00 C ATOM 739 C GLY A 49 193.527 -5.123 -7.427 1.00 0.00 C ATOM 740 O GLY A 49 193.064 -4.006 -7.173 1.00 0.00 O ATOM 0 H GLY A 49 194.886 -7.307 -9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 49 193.873 -4.646 -9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 49 192.963 -6.122 -9.241 1.00 0.00 H new ATOM 744 N GLU A 50 193.835 -6.033 -6.488 1.00 0.00 N ATOM 745 CA GLU A 50 193.646 -5.790 -5.051 1.00 0.00 C ATOM 746 C GLU A 50 194.681 -4.795 -4.518 1.00 0.00 C ATOM 747 O GLU A 50 194.375 -3.980 -3.644 1.00 0.00 O ATOM 748 CB GLU A 50 193.739 -7.105 -4.267 1.00 0.00 C ATOM 749 CG GLU A 50 192.529 -8.011 -4.441 1.00 0.00 C ATOM 750 CD GLU A 50 192.650 -9.302 -3.653 1.00 0.00 C ATOM 751 OE1 GLU A 50 193.182 -10.286 -4.205 1.00 0.00 O ATOM 752 OE2 GLU A 50 192.211 -9.324 -2.483 1.00 0.00 O1- ATOM 0 H GLU A 50 194.220 -6.953 -6.704 1.00 0.00 H new ATOM 0 HA GLU A 50 192.653 -5.362 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 50 194.633 -7.643 -4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 50 193.862 -6.878 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 50 191.632 -7.479 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 50 192.404 -8.245 -5.498 1.00 0.00 H new ATOM 759 N LEU A 51 195.906 -4.872 -5.066 1.00 0.00 N ATOM 760 CA LEU A 51 197.010 -3.982 -4.680 1.00 0.00 C ATOM 761 C LEU A 51 196.781 -2.557 -5.202 1.00 0.00 C ATOM 762 O LEU A 51 197.139 -1.579 -4.539 1.00 0.00 O ATOM 763 CB LEU A 51 198.344 -4.536 -5.207 1.00 0.00 C ATOM 764 CG LEU A 51 199.603 -4.105 -4.438 1.00 0.00 C ATOM 765 CD1 LEU A 51 200.650 -5.205 -4.477 1.00 0.00 C ATOM 766 CD2 LEU A 51 200.174 -2.814 -5.014 1.00 0.00 C ATOM 0 H LEU A 51 196.156 -5.550 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 51 197.048 -3.939 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 51 198.292 -5.625 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 51 198.456 -4.231 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 51 199.322 -3.924 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 51 201.535 -4.884 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 51 200.246 -6.108 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 51 200.921 -5.413 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 51 201.064 -2.528 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 51 200.437 -2.968 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 51 199.429 -2.022 -4.940 1.00 0.00 H new ATOM 778 N GLN A 52 196.174 -2.459 -6.395 1.00 0.00 N ATOM 779 CA GLN A 52 195.867 -1.165 -7.021 1.00 0.00 C ATOM 780 C GLN A 52 194.682 -0.484 -6.327 1.00 0.00 C ATOM 781 O GLN A 52 194.637 0.747 -6.228 1.00 0.00 O ATOM 782 CB GLN A 52 195.566 -1.343 -8.512 1.00 0.00 C ATOM 783 CG GLN A 52 196.801 -1.602 -9.362 1.00 0.00 C ATOM 784 CD GLN A 52 196.472 -1.774 -10.832 1.00 0.00 C ATOM 785 OE1 GLN A 52 196.448 -0.807 -11.592 1.00 0.00 O ATOM 786 NE2 GLN A 52 196.214 -3.013 -11.238 1.00 0.00 N ATOM 0 H GLN A 52 195.885 -3.266 -6.948 1.00 0.00 H new ATOM 0 HA GLN A 52 196.745 -0.528 -6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 52 194.871 -2.173 -8.636 1.00 0.00 H new ATOM 0 HB3 GLN A 52 195.064 -0.449 -8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 52 197.499 -0.773 -9.244 1.00 0.00 H new ATOM 0 HG3 GLN A 52 197.306 -2.497 -8.999 1.00 0.00 H new ATOM 0 HE21 GLN A 52 196.246 -3.785 -10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 52 195.984 -3.192 -12.216 1.00 0.00 H new ATOM 795 N THR A 53 193.731 -1.301 -5.841 1.00 0.00 N ATOM 796 CA THR A 53 192.542 -0.799 -5.135 1.00 0.00 C ATOM 797 C THR A 53 192.889 -0.293 -3.733 1.00 0.00 C ATOM 798 O THR A 53 192.327 0.706 -3.273 1.00 0.00 O ATOM 799 CB THR A 53 191.441 -1.875 -5.024 1.00 0.00 C ATOM 800 OG1 THR A 53 191.999 -3.107 -4.555 1.00 0.00 O ATOM 801 CG2 THR A 53 190.753 -2.101 -6.365 1.00 0.00 C ATOM 0 H THR A 53 193.765 -2.317 -5.926 1.00 0.00 H new ATOM 0 HA THR A 53 192.164 0.032 -5.731 1.00 0.00 H new ATOM 0 HB THR A 53 190.697 -1.519 -4.311 1.00 0.00 H new ATOM 0 HG1 THR A 53 192.909 -2.950 -4.226 1.00 0.00 H new ATOM 0 HG21 THR A 53 189.983 -2.864 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 53 190.296 -1.170 -6.701 1.00 0.00 H new ATOM 0 HG23 THR A 53 191.488 -2.430 -7.100 1.00 0.00 H new ATOM 809 N VAL A 54 193.830 -0.984 -3.066 1.00 0.00 N ATOM 810 CA VAL A 54 194.278 -0.596 -1.716 1.00 0.00 C ATOM 811 C VAL A 54 195.192 0.639 -1.779 1.00 0.00 C ATOM 812 O VAL A 54 195.183 1.474 -0.870 1.00 0.00 O ATOM 813 CB VAL A 54 194.994 -1.751 -0.953 1.00 0.00 C ATOM 814 CG1 VAL A 54 193.997 -2.831 -0.557 1.00 0.00 C ATOM 815 CG2 VAL A 54 196.137 -2.355 -1.767 1.00 0.00 C ATOM 0 H VAL A 54 194.294 -1.812 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 54 193.376 -0.354 -1.154 1.00 0.00 H new ATOM 0 HB VAL A 54 195.428 -1.320 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 54 194.516 -3.628 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 54 193.233 -2.401 0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 54 193.527 -3.238 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 54 196.607 -3.156 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 54 195.745 -2.757 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 54 196.875 -1.584 -1.985 1.00 0.00 H new ATOM 825 N LYS A 55 195.979 0.729 -2.868 1.00 0.00 N ATOM 826 CA LYS A 55 196.890 1.858 -3.098 1.00 0.00 C ATOM 827 C LYS A 55 196.102 3.137 -3.415 1.00 0.00 C ATOM 828 O LYS A 55 196.497 4.233 -3.010 1.00 0.00 O ATOM 829 CB LYS A 55 197.856 1.530 -4.243 1.00 0.00 C ATOM 830 CG LYS A 55 199.215 2.207 -4.121 1.00 0.00 C ATOM 831 CD LYS A 55 200.124 1.850 -5.286 1.00 0.00 C ATOM 832 CE LYS A 55 201.477 2.530 -5.167 1.00 0.00 C ATOM 833 NZ LYS A 55 202.373 2.189 -6.306 1.00 0.00 N1+ ATOM 0 H LYS A 55 195.999 0.025 -3.606 1.00 0.00 H new ATOM 0 HA LYS A 55 197.465 2.029 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 55 198.002 0.451 -4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 55 197.398 1.825 -5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 55 199.081 3.288 -4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 55 199.688 1.909 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS A 55 200.261 0.769 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 55 199.649 2.144 -6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 55 201.338 3.610 -5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 55 201.951 2.234 -4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 203.085 2.938 -6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 202.849 1.285 -6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 201.811 2.106 -7.177 1.00 0.00 H new ATOM 847 N GLU A 56 194.981 2.975 -4.142 1.00 0.00 N ATOM 848 CA GLU A 56 194.101 4.098 -4.504 1.00 0.00 C ATOM 849 C GLU A 56 193.314 4.591 -3.284 1.00 0.00 C ATOM 850 O GLU A 56 193.095 5.796 -3.120 1.00 0.00 O ATOM 851 CB GLU A 56 193.137 3.694 -5.623 1.00 0.00 C ATOM 852 CG GLU A 56 193.790 3.595 -6.992 1.00 0.00 C ATOM 853 CD GLU A 56 192.813 3.191 -8.078 1.00 0.00 C ATOM 854 OE1 GLU A 56 192.657 1.975 -8.314 1.00 0.00 O ATOM 855 OE2 GLU A 56 192.202 4.092 -8.692 1.00 0.00 O1- ATOM 0 H GLU A 56 194.663 2.071 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 56 194.730 4.912 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 56 192.690 2.732 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 56 192.325 4.420 -5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 56 194.235 4.557 -7.248 1.00 0.00 H new ATOM 0 HG3 GLU A 56 194.602 2.869 -6.951 1.00 0.00 H new ATOM 862 N THR A 57 192.904 3.637 -2.430 1.00 0.00 N ATOM 863 CA THR A 57 192.160 3.940 -1.196 1.00 0.00 C ATOM 864 C THR A 57 193.062 4.616 -0.160 1.00 0.00 C ATOM 865 O THR A 57 192.617 5.496 0.589 1.00 0.00 O ATOM 866 CB THR A 57 191.549 2.666 -0.574 1.00 0.00 C ATOM 867 OG1 THR A 57 192.514 1.611 -0.558 1.00 0.00 O ATOM 868 CG2 THR A 57 190.311 2.220 -1.341 1.00 0.00 C ATOM 0 H THR A 57 193.077 2.642 -2.574 1.00 0.00 H new ATOM 0 HA THR A 57 191.355 4.620 -1.474 1.00 0.00 H new ATOM 0 HB THR A 57 191.254 2.901 0.449 1.00 0.00 H new ATOM 0 HG1 THR A 57 193.416 1.993 -0.573 1.00 0.00 H new ATOM 0 HG21 THR A 57 189.902 1.321 -0.880 1.00 0.00 H new ATOM 0 HG22 THR A 57 189.563 3.012 -1.317 1.00 0.00 H new ATOM 0 HG23 THR A 57 190.581 2.007 -2.375 1.00 0.00 H new ATOM 876 N LEU A 58 194.342 4.208 -0.147 1.00 0.00 N ATOM 877 CA LEU A 58 195.338 4.765 0.774 1.00 0.00 C ATOM 878 C LEU A 58 195.694 6.201 0.384 1.00 0.00 C ATOM 879 O LEU A 58 195.830 7.069 1.250 1.00 0.00 O ATOM 880 CB LEU A 58 196.599 3.895 0.786 1.00 0.00 C ATOM 881 CG LEU A 58 197.305 3.793 2.141 1.00 0.00 C ATOM 882 CD1 LEU A 58 196.765 2.613 2.937 1.00 0.00 C ATOM 883 CD2 LEU A 58 198.808 3.669 1.952 1.00 0.00 C ATOM 0 H LEU A 58 194.710 3.489 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 58 194.907 4.775 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 58 196.332 2.891 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 58 197.303 4.293 0.056 1.00 0.00 H new ATOM 0 HG LEU A 58 197.105 4.705 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 58 197.278 2.556 3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 58 195.696 2.746 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 58 196.933 1.691 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 58 199.293 3.598 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 58 199.029 2.774 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 58 199.182 4.546 1.424 1.00 0.00 H new ATOM 895 N GLN A 59 195.819 6.445 -0.935 1.00 0.00 N ATOM 896 CA GLN A 59 196.133 7.783 -1.466 1.00 0.00 C ATOM 897 C GLN A 59 194.971 8.745 -1.214 1.00 0.00 C ATOM 898 O GLN A 59 195.184 9.933 -0.945 1.00 0.00 O ATOM 899 CB GLN A 59 196.440 7.711 -2.966 1.00 0.00 C ATOM 900 CG GLN A 59 197.785 7.080 -3.291 1.00 0.00 C ATOM 901 CD GLN A 59 198.061 7.027 -4.781 1.00 0.00 C ATOM 902 OE1 GLN A 59 197.718 6.054 -5.452 1.00 0.00 O ATOM 903 NE2 GLN A 59 198.684 8.076 -5.305 1.00 0.00 N ATOM 0 H GLN A 59 195.707 5.729 -1.653 1.00 0.00 H new ATOM 0 HA GLN A 59 197.016 8.156 -0.948 1.00 0.00 H new ATOM 0 HB2 GLN A 59 195.654 7.141 -3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 59 196.413 8.719 -3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 59 198.576 7.646 -2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 59 197.816 6.069 -2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 59 198.950 8.861 -4.710 1.00 0.00 H new ATOM 0 HE22 GLN A 59 198.897 8.097 -6.302 1.00 0.00 H new ATOM 912 N ALA A 60 193.742 8.210 -1.300 1.00 0.00 N ATOM 913 CA ALA A 60 192.521 8.983 -1.050 1.00 0.00 C ATOM 914 C ALA A 60 192.391 9.333 0.437 1.00 0.00 C ATOM 915 O ALA A 60 191.844 10.381 0.790 1.00 0.00 O ATOM 916 CB ALA A 60 191.299 8.209 -1.522 1.00 0.00 C ATOM 0 H ALA A 60 193.570 7.234 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 60 192.585 9.914 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 60 190.400 8.795 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 60 191.383 8.013 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 60 191.237 7.263 -0.984 1.00 0.00 H new ATOM 922 N MET A 61 192.915 8.439 1.298 1.00 0.00 N ATOM 923 CA MET A 61 192.893 8.629 2.756 1.00 0.00 C ATOM 924 C MET A 61 193.819 9.781 3.181 1.00 0.00 C ATOM 925 O MET A 61 193.431 10.624 3.997 1.00 0.00 O ATOM 926 CB MET A 61 193.298 7.324 3.462 1.00 0.00 C ATOM 927 CG MET A 61 192.771 7.191 4.886 1.00 0.00 C ATOM 928 SD MET A 61 193.294 5.658 5.677 1.00 0.00 S ATOM 929 CE MET A 61 192.702 5.919 7.348 1.00 0.00 C ATOM 0 H MET A 61 193.362 7.571 1.002 1.00 0.00 H new ATOM 0 HA MET A 61 191.877 8.893 3.051 1.00 0.00 H new ATOM 0 HB2 MET A 61 192.938 6.480 2.874 1.00 0.00 H new ATOM 0 HB3 MET A 61 194.386 7.258 3.482 1.00 0.00 H new ATOM 0 HG2 MET A 61 193.117 8.038 5.478 1.00 0.00 H new ATOM 0 HG3 MET A 61 191.682 7.236 4.872 1.00 0.00 H new ATOM 0 HE1 MET A 61 192.839 5.007 7.929 1.00 0.00 H new ATOM 0 HE2 MET A 61 193.263 6.731 7.810 1.00 0.00 H new ATOM 0 HE3 MET A 61 191.643 6.178 7.323 1.00 0.00 H new ATOM 939 N ILE A 62 195.035 9.813 2.609 1.00 0.00 N ATOM 940 CA ILE A 62 196.020 10.871 2.916 1.00 0.00 C ATOM 941 C ILE A 62 195.636 12.189 2.222 1.00 0.00 C ATOM 942 O ILE A 62 196.015 13.270 2.679 1.00 0.00 O ATOM 943 CB ILE A 62 197.485 10.492 2.503 1.00 0.00 C ATOM 944 CG1 ILE A 62 197.755 8.957 2.541 1.00 0.00 C ATOM 945 CG2 ILE A 62 198.507 11.242 3.366 1.00 0.00 C ATOM 946 CD1 ILE A 62 197.540 8.265 3.888 1.00 0.00 C ATOM 0 H ILE A 62 195.361 9.122 1.933 1.00 0.00 H new ATOM 0 HA ILE A 62 195.999 10.989 3.999 1.00 0.00 H new ATOM 0 HB ILE A 62 197.600 10.802 1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 62 197.111 8.478 1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 62 198.784 8.783 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 62 199.515 10.963 3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 62 198.373 12.316 3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 62 198.360 10.981 4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 62 197.759 7.202 3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 62 198.203 8.705 4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 62 196.505 8.395 4.203 1.00 0.00 H new ATOM 958 N LEU A 63 194.881 12.076 1.116 1.00 0.00 N ATOM 959 CA LEU A 63 194.423 13.240 0.349 1.00 0.00 C ATOM 960 C LEU A 63 193.144 13.836 0.959 1.00 0.00 C ATOM 961 O LEU A 63 192.825 15.006 0.722 1.00 0.00 O ATOM 962 CB LEU A 63 194.175 12.842 -1.114 1.00 0.00 C ATOM 963 CG LEU A 63 194.225 13.987 -2.137 1.00 0.00 C ATOM 964 CD1 LEU A 63 195.653 14.242 -2.603 1.00 0.00 C ATOM 965 CD2 LEU A 63 193.326 13.675 -3.325 1.00 0.00 C ATOM 0 H LEU A 63 194.575 11.181 0.733 1.00 0.00 H new ATOM 0 HA LEU A 63 195.203 14.001 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 63 194.916 12.094 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 63 193.198 12.364 -1.180 1.00 0.00 H new ATOM 0 HG LEU A 63 193.862 14.892 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 63 195.660 15.057 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 63 196.272 14.511 -1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 63 196.050 13.340 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 63 193.372 14.495 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 63 193.662 12.756 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 63 192.299 13.550 -2.981 1.00 0.00 H new ATOM 977 N GLN A 64 192.422 13.020 1.745 1.00 0.00 N ATOM 978 CA GLN A 64 191.184 13.450 2.404 1.00 0.00 C ATOM 979 C GLN A 64 191.476 14.099 3.763 1.00 0.00 C ATOM 980 O GLN A 64 190.811 15.064 4.150 1.00 0.00 O ATOM 981 CB GLN A 64 190.237 12.258 2.583 1.00 0.00 C ATOM 982 CG GLN A 64 188.760 12.626 2.531 1.00 0.00 C ATOM 983 CD GLN A 64 187.852 11.424 2.708 1.00 0.00 C ATOM 984 OE1 GLN A 64 187.476 11.075 3.827 1.00 0.00 O ATOM 985 NE2 GLN A 64 187.497 10.783 1.600 1.00 0.00 N ATOM 0 H GLN A 64 192.680 12.052 1.938 1.00 0.00 H new ATOM 0 HA GLN A 64 190.705 14.194 1.768 1.00 0.00 H new ATOM 0 HB2 GLN A 64 190.445 11.522 1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 64 190.448 11.780 3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 64 188.544 13.357 3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 64 188.542 13.104 1.576 1.00 0.00 H new ATOM 0 HE21 GLN A 64 187.833 11.108 0.693 1.00 0.00 H new ATOM 0 HE22 GLN A 64 186.889 9.966 1.656 1.00 0.00 H new ATOM 994 N LEU A 65 192.474 13.560 4.475 1.00 0.00 N ATOM 995 CA LEU A 65 192.865 14.083 5.785 1.00 0.00 C ATOM 996 C LEU A 65 194.370 14.385 5.820 1.00 0.00 C ATOM 997 O LEU A 65 195.177 13.601 6.337 1.00 0.00 O ATOM 998 CB LEU A 65 192.447 13.115 6.917 1.00 0.00 C ATOM 999 CG LEU A 65 192.902 11.654 6.772 1.00 0.00 C ATOM 1000 CD1 LEU A 65 193.883 11.287 7.875 1.00 0.00 C ATOM 1001 CD2 LEU A 65 191.702 10.719 6.791 1.00 0.00 C ATOM 0 H LEU A 65 193.025 12.760 4.163 1.00 0.00 H new ATOM 0 HA LEU A 65 192.336 15.021 5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 65 192.837 13.502 7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 65 191.360 13.128 6.993 1.00 0.00 H new ATOM 0 HG LEU A 65 193.409 11.545 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 65 194.193 10.249 7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 65 194.757 11.936 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 65 193.403 11.412 8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 65 192.042 9.689 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 65 191.168 10.832 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 65 191.035 10.966 5.965 1.00 0.00 H new ATOM 1477 N GLU A 100 217.421 -11.530 -13.079 1.00 0.00 N ATOM 1478 CA GLU A 100 217.388 -10.092 -13.381 1.00 0.00 C ATOM 1479 C GLU A 100 215.951 -9.585 -13.488 1.00 0.00 C ATOM 1480 O GLU A 100 215.651 -8.463 -13.071 1.00 0.00 O ATOM 1481 CB GLU A 100 218.144 -9.788 -14.683 1.00 0.00 C ATOM 1482 CG GLU A 100 219.656 -9.905 -14.559 1.00 0.00 C ATOM 1483 CD GLU A 100 220.373 -9.599 -15.859 1.00 0.00 C ATOM 1484 OE1 GLU A 100 220.714 -8.420 -16.085 1.00 0.00 O ATOM 1485 OE2 GLU A 100 220.595 -10.539 -16.651 1.00 0.00 O1- ATOM 0 HA GLU A 100 217.880 -9.574 -12.558 1.00 0.00 H new ATOM 0 HB2 GLU A 100 217.799 -10.470 -15.460 1.00 0.00 H new ATOM 0 HB3 GLU A 100 217.893 -8.779 -15.010 1.00 0.00 H new ATOM 0 HG2 GLU A 100 220.007 -9.222 -13.785 1.00 0.00 H new ATOM 0 HG3 GLU A 100 219.913 -10.913 -14.235 1.00 0.00 H new ATOM 1492 N ALA A 101 215.071 -10.424 -14.053 1.00 0.00 N ATOM 1493 CA ALA A 101 213.650 -10.092 -14.221 1.00 0.00 C ATOM 1494 C ALA A 101 212.878 -10.219 -12.904 1.00 0.00 C ATOM 1495 O ALA A 101 211.891 -9.510 -12.685 1.00 0.00 O ATOM 1496 CB ALA A 101 213.025 -10.982 -15.286 1.00 0.00 C ATOM 0 H ALA A 101 215.323 -11.348 -14.405 1.00 0.00 H new ATOM 0 HA ALA A 101 213.589 -9.052 -14.540 1.00 0.00 H new ATOM 0 HB1 ALA A 101 211.972 -10.726 -15.401 1.00 0.00 H new ATOM 0 HB2 ALA A 101 213.541 -10.832 -16.234 1.00 0.00 H new ATOM 0 HB3 ALA A 101 213.114 -12.026 -14.986 1.00 0.00 H new ATOM 1502 N LEU A 102 213.343 -11.129 -12.037 1.00 0.00 N ATOM 1503 CA LEU A 102 212.720 -11.372 -10.730 1.00 0.00 C ATOM 1504 C LEU A 102 213.220 -10.381 -9.669 1.00 0.00 C ATOM 1505 O LEU A 102 212.506 -10.092 -8.704 1.00 0.00 O ATOM 1506 CB LEU A 102 212.993 -12.811 -10.266 1.00 0.00 C ATOM 1507 CG LEU A 102 212.352 -13.917 -11.119 1.00 0.00 C ATOM 1508 CD1 LEU A 102 213.150 -15.206 -11.002 1.00 0.00 C ATOM 1509 CD2 LEU A 102 210.904 -14.156 -10.704 1.00 0.00 C ATOM 0 H LEU A 102 214.158 -11.714 -12.221 1.00 0.00 H new ATOM 0 HA LEU A 102 211.646 -11.227 -10.849 1.00 0.00 H new ATOM 0 HB2 LEU A 102 214.071 -12.970 -10.248 1.00 0.00 H new ATOM 0 HB3 LEU A 102 212.639 -12.916 -9.241 1.00 0.00 H new ATOM 0 HG LEU A 102 212.361 -13.590 -12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 102 212.683 -15.980 -11.612 1.00 0.00 H new ATOM 0 HD12 LEU A 102 214.169 -15.036 -11.349 1.00 0.00 H new ATOM 0 HD13 LEU A 102 213.171 -15.528 -9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 102 210.473 -14.943 -11.323 1.00 0.00 H new ATOM 0 HD22 LEU A 102 210.871 -14.458 -9.657 1.00 0.00 H new ATOM 0 HD23 LEU A 102 210.332 -13.238 -10.835 1.00 0.00 H new ATOM 1521 N LYS A 103 214.447 -9.863 -9.861 1.00 0.00 N ATOM 1522 CA LYS A 103 215.056 -8.901 -8.926 1.00 0.00 C ATOM 1523 C LYS A 103 214.390 -7.523 -9.011 1.00 0.00 C ATOM 1524 O LYS A 103 214.184 -6.866 -7.988 1.00 0.00 O ATOM 1525 CB LYS A 103 216.558 -8.770 -9.194 1.00 0.00 C ATOM 1526 CG LYS A 103 217.379 -9.944 -8.683 1.00 0.00 C ATOM 1527 CD LYS A 103 218.866 -9.724 -8.915 1.00 0.00 C ATOM 1528 CE LYS A 103 219.694 -10.858 -8.331 1.00 0.00 C ATOM 1529 NZ LYS A 103 221.151 -10.653 -8.557 1.00 0.00 N1+ ATOM 0 H LYS A 103 215.038 -10.096 -10.659 1.00 0.00 H new ATOM 0 HA LYS A 103 214.901 -9.287 -7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 103 216.718 -8.667 -10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 103 216.922 -7.854 -8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 103 217.192 -10.085 -7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 103 217.062 -10.858 -9.186 1.00 0.00 H new ATOM 0 HD2 LYS A 103 219.061 -9.643 -9.984 1.00 0.00 H new ATOM 0 HD3 LYS A 103 219.170 -8.780 -8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 103 219.500 -10.936 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 103 219.386 -11.802 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 221.681 -11.447 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 221.340 -10.604 -9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 221.451 -9.765 -8.106 1.00 0.00 H new ATOM 1543 N GLU A 104 214.055 -7.101 -10.239 1.00 0.00 N ATOM 1544 CA GLU A 104 213.401 -5.803 -10.488 1.00 0.00 C ATOM 1545 C GLU A 104 212.000 -5.744 -9.862 1.00 0.00 C ATOM 1546 O GLU A 104 211.607 -4.715 -9.300 1.00 0.00 O ATOM 1547 CB GLU A 104 213.309 -5.529 -11.993 1.00 0.00 C ATOM 1548 CG GLU A 104 214.641 -5.171 -12.636 1.00 0.00 C ATOM 1549 CD GLU A 104 214.518 -4.905 -14.124 1.00 0.00 C ATOM 1550 OE1 GLU A 104 214.654 -5.864 -14.912 1.00 0.00 O ATOM 1551 OE2 GLU A 104 214.284 -3.737 -14.500 1.00 0.00 O1- ATOM 0 H GLU A 104 214.228 -7.645 -11.085 1.00 0.00 H new ATOM 0 HA GLU A 104 214.014 -5.034 -10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 104 212.902 -6.410 -12.489 1.00 0.00 H new ATOM 0 HB3 GLU A 104 212.604 -4.715 -12.162 1.00 0.00 H new ATOM 0 HG2 GLU A 104 215.051 -4.288 -12.146 1.00 0.00 H new ATOM 0 HG3 GLU A 104 215.349 -5.984 -12.473 1.00 0.00 H new ATOM 1558 N LYS A 105 211.265 -6.863 -9.954 1.00 0.00 N ATOM 1559 CA LYS A 105 209.905 -6.968 -9.404 1.00 0.00 C ATOM 1560 C LYS A 105 209.922 -7.141 -7.882 1.00 0.00 C ATOM 1561 O LYS A 105 209.024 -6.653 -7.191 1.00 0.00 O ATOM 1562 CB LYS A 105 209.153 -8.137 -10.050 1.00 0.00 C ATOM 1563 CG LYS A 105 208.708 -7.869 -11.480 1.00 0.00 C ATOM 1564 CD LYS A 105 207.999 -9.073 -12.078 1.00 0.00 C ATOM 1565 CE LYS A 105 207.552 -8.804 -13.506 1.00 0.00 C ATOM 1566 NZ LYS A 105 206.856 -9.978 -14.101 1.00 0.00 N1+ ATOM 0 H LYS A 105 211.594 -7.715 -10.408 1.00 0.00 H new ATOM 0 HA LYS A 105 209.389 -6.036 -9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 105 209.793 -9.019 -10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 105 208.277 -8.371 -9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 105 208.042 -7.007 -11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 105 209.575 -7.616 -12.090 1.00 0.00 H new ATOM 0 HD2 LYS A 105 208.666 -9.935 -12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 105 207.133 -9.328 -11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 105 206.886 -7.941 -13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 105 208.419 -8.549 -14.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 206.567 -9.754 -15.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 207.499 -10.795 -14.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 206.014 -10.206 -13.534 1.00 0.00 H new ATOM 1580 N ALA A 106 210.955 -7.830 -7.373 1.00 0.00 N ATOM 1581 CA ALA A 106 211.113 -8.068 -5.930 1.00 0.00 C ATOM 1582 C ALA A 106 211.500 -6.785 -5.186 1.00 0.00 C ATOM 1583 O ALA A 106 210.996 -6.522 -4.089 1.00 0.00 O ATOM 1584 CB ALA A 106 212.150 -9.157 -5.687 1.00 0.00 C ATOM 0 H ALA A 106 211.698 -8.234 -7.944 1.00 0.00 H new ATOM 0 HA ALA A 106 210.151 -8.399 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 106 212.258 -9.324 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 106 211.827 -10.081 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 106 213.108 -8.847 -6.104 1.00 0.00 H new ATOM 1590 N ASP A 107 212.388 -5.993 -5.805 1.00 0.00 N ATOM 1591 CA ASP A 107 212.852 -4.723 -5.232 1.00 0.00 C ATOM 1592 C ASP A 107 211.796 -3.621 -5.369 1.00 0.00 C ATOM 1593 O ASP A 107 211.679 -2.760 -4.492 1.00 0.00 O ATOM 1594 CB ASP A 107 214.157 -4.280 -5.897 1.00 0.00 C ATOM 1595 CG ASP A 107 215.357 -5.057 -5.390 1.00 0.00 C ATOM 1596 OD1 ASP A 107 215.713 -6.078 -6.015 1.00 0.00 O ATOM 1597 OD2 ASP A 107 215.942 -4.643 -4.368 1.00 0.00 O1- ATOM 0 H ASP A 107 212.802 -6.214 -6.711 1.00 0.00 H new ATOM 0 HA ASP A 107 213.029 -4.890 -4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 107 214.074 -4.409 -6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 107 214.312 -3.217 -5.714 1.00 0.00 H new ATOM 1602 N SER A 108 211.025 -3.662 -6.471 1.00 0.00 N ATOM 1603 CA SER A 108 209.964 -2.678 -6.728 1.00 0.00 C ATOM 1604 C SER A 108 208.777 -2.877 -5.776 1.00 0.00 C ATOM 1605 O SER A 108 208.225 -1.905 -5.247 1.00 0.00 O ATOM 1606 CB SER A 108 209.495 -2.768 -8.184 1.00 0.00 C ATOM 1607 OG SER A 108 209.099 -4.088 -8.518 1.00 0.00 O ATOM 0 H SER A 108 211.120 -4.370 -7.199 1.00 0.00 H new ATOM 0 HA SER A 108 210.378 -1.686 -6.549 1.00 0.00 H new ATOM 0 HB2 SER A 108 208.660 -2.085 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 108 210.299 -2.448 -8.847 1.00 0.00 H new ATOM 0 HG SER A 108 209.881 -4.599 -8.813 1.00 0.00 H new ATOM 1613 N LEU A 109 208.413 -4.150 -5.549 1.00 0.00 N ATOM 1614 CA LEU A 109 207.305 -4.505 -4.654 1.00 0.00 C ATOM 1615 C LEU A 109 207.692 -4.309 -3.186 1.00 0.00 C ATOM 1616 O LEU A 109 206.857 -3.906 -2.372 1.00 0.00 O ATOM 1617 CB LEU A 109 206.861 -5.956 -4.890 1.00 0.00 C ATOM 1618 CG LEU A 109 206.108 -6.216 -6.204 1.00 0.00 C ATOM 1619 CD1 LEU A 109 206.219 -7.681 -6.595 1.00 0.00 C ATOM 1620 CD2 LEU A 109 204.639 -5.818 -6.083 1.00 0.00 C ATOM 0 H LEU A 109 208.875 -4.953 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 109 206.473 -3.839 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 109 207.743 -6.595 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 109 206.223 -6.261 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 109 206.566 -5.604 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 109 205.681 -7.850 -7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 109 207.268 -7.943 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 109 205.787 -8.301 -5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 109 204.130 -6.013 -7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 109 204.168 -6.400 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 109 204.568 -4.757 -5.845 1.00 0.00 H new ATOM 1632 N ALA A 110 208.967 -4.580 -2.864 1.00 0.00 N ATOM 1633 CA ALA A 110 209.489 -4.422 -1.498 1.00 0.00 C ATOM 1634 C ALA A 110 209.570 -2.945 -1.102 1.00 0.00 C ATOM 1635 O ALA A 110 209.317 -2.588 0.054 1.00 0.00 O ATOM 1636 CB ALA A 110 210.854 -5.081 -1.372 1.00 0.00 C ATOM 0 H ALA A 110 209.659 -4.912 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 110 208.797 -4.915 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 110 211.226 -4.955 -0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 110 210.767 -6.144 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 110 211.548 -4.617 -2.073 1.00 0.00 H new ATOM 1642 N LYS A 111 209.909 -2.094 -2.083 1.00 0.00 N ATOM 1643 CA LYS A 111 210.006 -0.642 -1.873 1.00 0.00 C ATOM 1644 C LYS A 111 208.614 -0.010 -1.780 1.00 0.00 C ATOM 1645 O LYS A 111 208.420 0.974 -1.061 1.00 0.00 O ATOM 1646 CB LYS A 111 210.803 0.013 -3.006 1.00 0.00 C ATOM 1647 CG LYS A 111 212.306 -0.210 -2.908 1.00 0.00 C ATOM 1648 CD LYS A 111 213.044 0.461 -4.054 1.00 0.00 C ATOM 1649 CE LYS A 111 214.544 0.237 -3.957 1.00 0.00 C ATOM 1650 NZ LYS A 111 215.278 0.893 -5.074 1.00 0.00 N1+ ATOM 0 H LYS A 111 210.122 -2.390 -3.036 1.00 0.00 H new ATOM 0 HA LYS A 111 210.527 -0.473 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 111 210.449 -0.377 -3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 111 210.603 1.085 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 111 212.672 0.182 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 111 212.517 -1.279 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 111 212.677 0.070 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 111 212.833 1.530 -4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 111 214.908 0.626 -3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 111 214.752 -0.833 -3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 216.298 0.716 -4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 214.949 0.504 -5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 215.100 1.917 -5.052 1.00 0.00 H new ATOM 1664 N GLU A 112 207.649 -0.595 -2.515 1.00 0.00 N ATOM 1665 CA GLU A 112 206.257 -0.120 -2.513 1.00 0.00 C ATOM 1666 C GLU A 112 205.536 -0.485 -1.211 1.00 0.00 C ATOM 1667 O GLU A 112 204.653 0.252 -0.763 1.00 0.00 O ATOM 1668 CB GLU A 112 205.491 -0.689 -3.711 1.00 0.00 C ATOM 1669 CG GLU A 112 205.826 -0.013 -5.032 1.00 0.00 C ATOM 1670 CD GLU A 112 205.057 -0.601 -6.199 1.00 0.00 C ATOM 1671 OE1 GLU A 112 203.947 -0.106 -6.488 1.00 0.00 O ATOM 1672 OE2 GLU A 112 205.563 -1.556 -6.823 1.00 0.00 O1- ATOM 0 H GLU A 112 207.812 -1.400 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 112 206.285 0.967 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 112 205.705 -1.754 -3.794 1.00 0.00 H new ATOM 0 HB3 GLU A 112 204.421 -0.593 -3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 112 205.607 1.052 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 112 206.895 -0.106 -5.223 1.00 0.00 H new ATOM 1679 N ILE A 113 205.923 -1.623 -0.609 1.00 0.00 N ATOM 1680 CA ILE A 113 205.332 -2.079 0.662 1.00 0.00 C ATOM 1681 C ILE A 113 205.967 -1.322 1.841 1.00 0.00 C ATOM 1682 O ILE A 113 205.297 -1.056 2.844 1.00 0.00 O ATOM 1683 CB ILE A 113 205.460 -3.624 0.855 1.00 0.00 C ATOM 1684 CG1 ILE A 113 204.698 -4.360 -0.262 1.00 0.00 C ATOM 1685 CG2 ILE A 113 204.926 -4.061 2.230 1.00 0.00 C ATOM 1686 CD1 ILE A 113 205.235 -5.744 -0.581 1.00 0.00 C ATOM 0 H ILE A 113 206.642 -2.244 -0.981 1.00 0.00 H new ATOM 0 HA ILE A 113 204.266 -1.856 0.629 1.00 0.00 H new ATOM 0 HB ILE A 113 206.517 -3.884 0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 113 203.650 -4.448 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 113 204.730 -3.754 -1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 113 205.029 -5.141 2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 113 205.496 -3.565 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 113 203.875 -3.787 2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 113 204.640 -6.190 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 113 206.273 -5.666 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 113 205.177 -6.371 0.309 1.00 0.00 H new ATOM 1698 N GLN A 114 207.261 -0.982 1.707 1.00 0.00 N ATOM 1699 CA GLN A 114 207.988 -0.221 2.737 1.00 0.00 C ATOM 1700 C GLN A 114 207.473 1.221 2.793 1.00 0.00 C ATOM 1701 O GLN A 114 207.378 1.818 3.872 1.00 0.00 O ATOM 1702 CB GLN A 114 209.494 -0.231 2.459 1.00 0.00 C ATOM 1703 CG GLN A 114 210.173 -1.549 2.803 1.00 0.00 C ATOM 1704 CD GLN A 114 211.662 -1.529 2.520 1.00 0.00 C ATOM 1705 OE1 GLN A 114 212.102 -1.869 1.422 1.00 0.00 O ATOM 1706 NE2 GLN A 114 212.448 -1.128 3.513 1.00 0.00 N ATOM 0 H GLN A 114 207.826 -1.223 0.893 1.00 0.00 H new ATOM 0 HA GLN A 114 207.813 -0.698 3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 114 209.661 -0.011 1.404 1.00 0.00 H new ATOM 0 HB3 GLN A 114 209.965 0.569 3.030 1.00 0.00 H new ATOM 0 HG2 GLN A 114 210.010 -1.773 3.857 1.00 0.00 H new ATOM 0 HG3 GLN A 114 209.709 -2.353 2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 114 212.041 -0.855 4.407 1.00 0.00 H new ATOM 0 HE22 GLN A 114 213.459 -1.093 3.381 1.00 0.00 H new ATOM 1715 N TYR A 115 207.128 1.758 1.610 1.00 0.00 N ATOM 1716 CA TYR A 115 206.578 3.112 1.478 1.00 0.00 C ATOM 1717 C TYR A 115 205.113 3.128 1.940 1.00 0.00 C ATOM 1718 O TYR A 115 204.645 4.103 2.533 1.00 0.00 O ATOM 1719 CB TYR A 115 206.691 3.588 0.024 1.00 0.00 C ATOM 1720 CG TYR A 115 206.694 5.095 -0.139 1.00 0.00 C ATOM 1721 CD1 TYR A 115 205.523 5.783 -0.431 1.00 0.00 C ATOM 1722 CD2 TYR A 115 207.868 5.828 -0.003 1.00 0.00 C ATOM 1723 CE1 TYR A 115 205.519 7.156 -0.582 1.00 0.00 C ATOM 1724 CE2 TYR A 115 207.873 7.203 -0.152 1.00 0.00 C ATOM 1725 CZ TYR A 115 206.697 7.861 -0.441 1.00 0.00 C ATOM 1726 OH TYR A 115 206.697 9.229 -0.592 1.00 0.00 O ATOM 0 H TYR A 115 207.223 1.265 0.722 1.00 0.00 H new ATOM 0 HA TYR A 115 207.150 3.793 2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 115 207.607 3.185 -0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 115 205.860 3.174 -0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 115 204.599 5.235 -0.542 1.00 0.00 H new ATOM 0 HD2 TYR A 115 208.791 5.315 0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 115 204.599 7.675 -0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 115 208.793 7.758 -0.043 1.00 0.00 H new ATOM 0 HH TYR A 115 207.605 9.573 -0.460 1.00 0.00 H new ATOM 1736 N LEU A 116 204.408 2.018 1.652 1.00 0.00 N ATOM 1737 CA LEU A 116 203.001 1.833 2.030 1.00 0.00 C ATOM 1738 C LEU A 116 202.855 1.696 3.553 1.00 0.00 C ATOM 1739 O LEU A 116 201.916 2.236 4.151 1.00 0.00 O ATOM 1740 CB LEU A 116 202.442 0.583 1.327 1.00 0.00 C ATOM 1741 CG LEU A 116 200.924 0.547 1.108 1.00 0.00 C ATOM 1742 CD1 LEU A 116 200.534 1.313 -0.152 1.00 0.00 C ATOM 1743 CD2 LEU A 116 200.434 -0.891 1.027 1.00 0.00 C ATOM 0 H LEU A 116 204.803 1.224 1.149 1.00 0.00 H new ATOM 0 HA LEU A 116 202.435 2.710 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 116 202.930 0.489 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 116 202.724 -0.293 1.911 1.00 0.00 H new ATOM 0 HG LEU A 116 200.448 1.032 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 116 199.453 1.271 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 116 200.848 2.352 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 116 201.022 0.863 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 116 199.355 -0.900 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 116 200.925 -1.396 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 116 200.671 -1.409 1.956 1.00 0.00 H new ATOM 1755 N LYS A 117 203.816 0.984 4.169 1.00 0.00 N ATOM 1756 CA LYS A 117 203.837 0.773 5.623 1.00 0.00 C ATOM 1757 C LYS A 117 204.211 2.063 6.356 1.00 0.00 C ATOM 1758 O LYS A 117 203.689 2.346 7.437 1.00 0.00 O ATOM 1759 CB LYS A 117 204.820 -0.344 5.993 1.00 0.00 C ATOM 1760 CG LYS A 117 204.293 -1.742 5.712 1.00 0.00 C ATOM 1761 CD LYS A 117 205.277 -2.810 6.161 1.00 0.00 C ATOM 1762 CE LYS A 117 204.705 -4.206 5.987 1.00 0.00 C ATOM 1763 NZ LYS A 117 205.667 -5.259 6.412 1.00 0.00 N1+ ATOM 0 H LYS A 117 204.592 0.543 3.676 1.00 0.00 H new ATOM 0 HA LYS A 117 202.835 0.476 5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 117 205.748 -0.197 5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 117 205.065 -0.264 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 117 203.342 -1.883 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 117 204.098 -1.851 4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 117 206.199 -2.720 5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 117 205.536 -2.650 7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 117 203.788 -4.297 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 117 204.437 -4.360 4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 205.237 -6.197 6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 206.533 -5.189 5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 205.904 -5.128 7.416 1.00 0.00 H new ATOM 1777 N ASP A 118 205.133 2.833 5.755 1.00 0.00 N ATOM 1778 CA ASP A 118 205.573 4.118 6.311 1.00 0.00 C ATOM 1779 C ASP A 118 204.453 5.168 6.224 1.00 0.00 C ATOM 1780 O ASP A 118 204.354 6.050 7.084 1.00 0.00 O ATOM 1781 CB ASP A 118 206.824 4.613 5.574 1.00 0.00 C ATOM 1782 CG ASP A 118 207.684 5.531 6.426 1.00 0.00 C ATOM 1783 OD1 ASP A 118 207.459 6.760 6.387 1.00 0.00 O ATOM 1784 OD2 ASP A 118 208.581 5.021 7.131 1.00 0.00 O1- ATOM 0 H ASP A 118 205.589 2.583 4.878 1.00 0.00 H new ATOM 0 HA ASP A 118 205.817 3.969 7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 118 207.418 3.755 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 118 206.522 5.141 4.670 1.00 0.00 H new ATOM 1789 N LEU A 119 203.605 5.048 5.184 1.00 0.00 N ATOM 1790 CA LEU A 119 202.479 5.966 4.972 1.00 0.00 C ATOM 1791 C LEU A 119 201.375 5.742 6.007 1.00 0.00 C ATOM 1792 O LEU A 119 200.833 6.705 6.559 1.00 0.00 O ATOM 1793 CB LEU A 119 201.913 5.815 3.552 1.00 0.00 C ATOM 1794 CG LEU A 119 202.718 6.502 2.440 1.00 0.00 C ATOM 1795 CD1 LEU A 119 202.448 5.833 1.101 1.00 0.00 C ATOM 1796 CD2 LEU A 119 202.381 7.988 2.359 1.00 0.00 C ATOM 0 H LEU A 119 203.683 4.318 4.476 1.00 0.00 H new ATOM 0 HA LEU A 119 202.856 6.981 5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 119 201.841 4.752 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 119 200.898 6.213 3.540 1.00 0.00 H new ATOM 0 HG LEU A 119 203.777 6.403 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 119 203.026 6.331 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 119 202.739 4.784 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 119 201.386 5.904 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 119 202.965 8.451 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 119 201.319 8.109 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 119 202.618 8.467 3.309 1.00 0.00 H new ATOM 1808 N ILE A 120 201.061 4.462 6.276 1.00 0.00 N ATOM 1809 CA ILE A 120 200.032 4.103 7.271 1.00 0.00 C ATOM 1810 C ILE A 120 200.505 4.411 8.700 1.00 0.00 C ATOM 1811 O ILE A 120 199.714 4.840 9.547 1.00 0.00 O ATOM 1812 CB ILE A 120 199.579 2.613 7.171 1.00 0.00 C ATOM 1813 CG1 ILE A 120 200.767 1.640 7.089 1.00 0.00 C ATOM 1814 CG2 ILE A 120 198.666 2.424 5.970 1.00 0.00 C ATOM 1815 CD1 ILE A 120 200.997 0.864 8.367 1.00 0.00 C ATOM 0 H ILE A 120 201.502 3.662 5.822 1.00 0.00 H new ATOM 0 HA ILE A 120 199.166 4.722 7.039 1.00 0.00 H new ATOM 0 HB ILE A 120 199.036 2.381 8.087 1.00 0.00 H new ATOM 0 HG12 ILE A 120 200.597 0.938 6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 120 201.670 2.200 6.845 1.00 0.00 H new ATOM 0 HG21 ILE A 120 198.356 1.381 5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 120 197.786 3.059 6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 120 199.201 2.697 5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 120 201.850 0.197 8.239 1.00 0.00 H new ATOM 0 HD12 ILE A 120 201.198 1.558 9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 120 200.109 0.277 8.601 1.00 0.00 H new ATOM 1827 N GLU A 121 201.810 4.202 8.941 1.00 0.00 N ATOM 1828 CA GLU A 121 202.426 4.469 10.247 1.00 0.00 C ATOM 1829 C GLU A 121 202.567 5.980 10.492 1.00 0.00 C ATOM 1830 O GLU A 121 202.573 6.429 11.643 1.00 0.00 O ATOM 1831 CB GLU A 121 203.798 3.788 10.329 1.00 0.00 C ATOM 1832 CG GLU A 121 204.180 3.333 11.732 1.00 0.00 C ATOM 1833 CD GLU A 121 205.547 2.680 11.780 1.00 0.00 C ATOM 1834 OE1 GLU A 121 205.620 1.444 11.609 1.00 0.00 O ATOM 1835 OE2 GLU A 121 206.543 3.402 11.991 1.00 0.00 O1- ATOM 0 H GLU A 121 202.461 3.846 8.241 1.00 0.00 H new ATOM 0 HA GLU A 121 201.777 4.060 11.022 1.00 0.00 H new ATOM 0 HB2 GLU A 121 203.804 2.925 9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 121 204.558 4.478 9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 121 204.167 4.191 12.404 1.00 0.00 H new ATOM 0 HG3 GLU A 121 203.432 2.630 12.098 1.00 0.00 H new ATOM 1842 N GLU A 122 202.674 6.751 9.394 1.00 0.00 N ATOM 1843 CA GLU A 122 202.805 8.211 9.463 1.00 0.00 C ATOM 1844 C GLU A 122 201.465 8.877 9.791 1.00 0.00 C ATOM 1845 O GLU A 122 201.423 9.842 10.557 1.00 0.00 O ATOM 1846 CB GLU A 122 203.364 8.757 8.143 1.00 0.00 C ATOM 1847 CG GLU A 122 204.214 10.011 8.300 1.00 0.00 C ATOM 1848 CD GLU A 122 204.751 10.522 6.978 1.00 0.00 C ATOM 1849 OE1 GLU A 122 204.065 11.345 6.337 1.00 0.00 O ATOM 1850 OE2 GLU A 122 205.857 10.099 6.584 1.00 0.00 O1- ATOM 0 H GLU A 122 202.672 6.380 8.444 1.00 0.00 H new ATOM 0 HA GLU A 122 203.501 8.448 10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 122 203.964 7.982 7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 122 202.534 8.975 7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 122 203.618 10.792 8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 122 205.048 9.798 8.969 1.00 0.00 H new ATOM 1857 N VAL A 123 200.376 8.351 9.207 1.00 0.00 N ATOM 1858 CA VAL A 123 199.021 8.876 9.462 1.00 0.00 C ATOM 1859 C VAL A 123 198.533 8.480 10.860 1.00 0.00 C ATOM 1860 O VAL A 123 197.796 9.234 11.503 1.00 0.00 O ATOM 1861 CB VAL A 123 197.973 8.434 8.400 1.00 0.00 C ATOM 1862 CG1 VAL A 123 198.035 9.347 7.185 1.00 0.00 C ATOM 1863 CG2 VAL A 123 198.155 6.977 7.976 1.00 0.00 C ATOM 0 H VAL A 123 200.405 7.565 8.557 1.00 0.00 H new ATOM 0 HA VAL A 123 199.110 9.960 9.393 1.00 0.00 H new ATOM 0 HB VAL A 123 196.990 8.515 8.864 1.00 0.00 H new ATOM 0 HG11 VAL A 123 197.296 9.026 6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 123 197.823 10.372 7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 123 199.030 9.298 6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 123 197.400 6.717 7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 123 199.148 6.845 7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 123 198.047 6.329 8.846 1.00 0.00 H new ATOM 1873 N ARG A 124 198.952 7.286 11.318 1.00 0.00 N ATOM 1874 CA ARG A 124 198.597 6.781 12.651 1.00 0.00 C ATOM 1875 C ARG A 124 199.315 7.578 13.746 1.00 0.00 C ATOM 1876 O ARG A 124 198.729 7.881 14.788 1.00 0.00 O ATOM 1877 CB ARG A 124 198.938 5.292 12.775 1.00 0.00 C ATOM 1878 CG ARG A 124 197.973 4.375 12.030 1.00 0.00 C ATOM 1879 CD ARG A 124 198.362 2.910 12.174 1.00 0.00 C ATOM 1880 NE ARG A 124 198.067 2.384 13.514 1.00 0.00 N ATOM 1881 CZ ARG A 124 198.401 1.158 13.943 1.00 0.00 C ATOM 1882 NH1 ARG A 124 199.050 0.304 13.153 1.00 0.00 N1+ ATOM 1883 NH2 ARG A 124 198.083 0.787 15.176 1.00 0.00 N ATOM 0 H ARG A 124 199.541 6.652 10.778 1.00 0.00 H new ATOM 0 HA ARG A 124 197.522 6.905 12.780 1.00 0.00 H new ATOM 0 HB2 ARG A 124 199.947 5.127 12.396 1.00 0.00 H new ATOM 0 HB3 ARG A 124 198.945 5.017 13.830 1.00 0.00 H new ATOM 0 HG2 ARG A 124 196.963 4.522 12.412 1.00 0.00 H new ATOM 0 HG3 ARG A 124 197.957 4.645 10.974 1.00 0.00 H new ATOM 0 HD2 ARG A 124 197.829 2.320 11.429 1.00 0.00 H new ATOM 0 HD3 ARG A 124 199.426 2.797 11.968 1.00 0.00 H new ATOM 0 HE ARG A 124 197.573 2.995 14.164 1.00 0.00 H new ATOM 0 HH11 ARG A 124 199.302 0.578 12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 124 199.295 -0.624 13.498 1.00 0.00 H new ATOM 0 HH21 ARG A 124 197.588 1.433 15.791 1.00 0.00 H new ATOM 0 HH22 ARG A 124 198.334 -0.144 15.509 1.00 0.00 H new ATOM 1897 N LYS A 125 200.593 7.909 13.489 1.00 0.00 N ATOM 1898 CA LYS A 125 201.415 8.691 14.426 1.00 0.00 C ATOM 1899 C LYS A 125 201.017 10.173 14.429 1.00 0.00 C ATOM 1900 O LYS A 125 201.091 10.839 15.465 1.00 0.00 O ATOM 1901 CB LYS A 125 202.900 8.556 14.076 1.00 0.00 C ATOM 1902 CG LYS A 125 203.516 7.236 14.515 1.00 0.00 C ATOM 1903 CD LYS A 125 205.001 7.181 14.197 1.00 0.00 C ATOM 1904 CE LYS A 125 205.642 5.917 14.747 1.00 0.00 C ATOM 1905 NZ LYS A 125 207.094 5.842 14.422 1.00 0.00 N1+ ATOM 0 H LYS A 125 201.081 7.644 12.633 1.00 0.00 H new ATOM 0 HA LYS A 125 201.240 8.291 15.425 1.00 0.00 H new ATOM 0 HB2 LYS A 125 203.021 8.662 12.998 1.00 0.00 H new ATOM 0 HB3 LYS A 125 203.449 9.375 14.540 1.00 0.00 H new ATOM 0 HG2 LYS A 125 203.367 7.102 15.586 1.00 0.00 H new ATOM 0 HG3 LYS A 125 203.005 6.412 14.017 1.00 0.00 H new ATOM 0 HD2 LYS A 125 205.145 7.223 13.117 1.00 0.00 H new ATOM 0 HD3 LYS A 125 205.497 8.055 14.619 1.00 0.00 H new ATOM 0 HE2 LYS A 125 205.510 5.884 15.829 1.00 0.00 H new ATOM 0 HE3 LYS A 125 205.133 5.044 14.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 207.493 4.966 14.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 207.219 5.847 13.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 207.585 6.661 14.834 1.00 0.00 H new ATOM 1919 N ALA A 126 200.592 10.672 13.255 1.00 0.00 N ATOM 1920 CA ALA A 126 200.175 12.071 13.087 1.00 0.00 C ATOM 1921 C ALA A 126 198.789 12.340 13.687 1.00 0.00 C ATOM 1922 O ALA A 126 198.578 13.373 14.329 1.00 0.00 O ATOM 1923 CB ALA A 126 200.193 12.447 11.609 1.00 0.00 C ATOM 0 H ALA A 126 200.529 10.118 12.401 1.00 0.00 H new ATOM 0 HA ALA A 126 200.887 12.692 13.630 1.00 0.00 H new ATOM 0 HB1 ALA A 126 199.883 13.486 11.494 1.00 0.00 H new ATOM 0 HB2 ALA A 126 201.202 12.324 11.215 1.00 0.00 H new ATOM 0 HB3 ALA A 126 199.508 11.801 11.061 1.00 0.00 H new