USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 684 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 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 29 ASN : amide:sc= -4.87! C(o=-4.9!,f=-4.9!) USER MOD Set 2.1: A 20 GLN : amide:sc= -2.13! C(o=-3.6!,f=-9.5!) USER MOD Set 2.2: A 24 TYR OH : rot 99:sc= -1.52! USER MOD Single : A 16 LYS NZ :NH3+ -144:sc= -0.0273 (180deg=-0.762) USER MOD Single : A 18 CYS SG : rot 94:sc= -6.01! USER MOD Single : A 19 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.39) USER MOD Single : A 34 LYS NZ :NH3+ 152:sc= -2.44! (180deg=-5.19!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -4.53! C(o=-4.5!,f=-10!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= -1.21 (180deg=-1.34) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.592 K(o=-0.59,f=-6.7!) USER MOD Single : A 62 THR OG1 : rot 140:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.4!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 142:sc= -7.97! (180deg=-12.5!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.607! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -41:sc= 0.819 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 156 N ALA A 12 -11.529 -1.921 4.334 1.00 0.00 N ATOM 157 CA ALA A 12 -10.670 -1.479 5.468 1.00 0.00 C ATOM 158 C ALA A 12 -9.209 -1.839 5.183 1.00 0.00 C ATOM 159 O ALA A 12 -8.298 -1.137 5.574 1.00 0.00 O ATOM 160 CB ALA A 12 -11.186 -2.252 6.683 1.00 0.00 C ATOM 0 HA ALA A 12 -10.712 -0.401 5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.602 -1.980 7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.234 -2.005 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.091 -3.322 6.501 1.00 0.00 H new ATOM 166 N LEU A 13 -8.983 -2.927 4.499 1.00 0.00 N ATOM 167 CA LEU A 13 -7.583 -3.334 4.183 1.00 0.00 C ATOM 168 C LEU A 13 -6.933 -2.299 3.260 1.00 0.00 C ATOM 169 O LEU A 13 -5.757 -2.012 3.364 1.00 0.00 O ATOM 170 CB LEU A 13 -7.713 -4.681 3.472 1.00 0.00 C ATOM 171 CG LEU A 13 -6.321 -5.197 3.099 1.00 0.00 C ATOM 172 CD1 LEU A 13 -6.013 -6.463 3.900 1.00 0.00 C ATOM 173 CD2 LEU A 13 -6.283 -5.519 1.604 1.00 0.00 C ATOM 0 H LEU A 13 -9.707 -3.552 4.145 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.959 -3.404 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.217 -5.399 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.325 -4.574 2.576 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.577 -4.434 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.022 -6.830 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.042 -6.235 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.756 -7.227 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.292 -5.887 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.027 -6.283 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.502 -4.617 1.032 1.00 0.00 H new ATOM 185 N GLU A 14 -7.691 -1.739 2.359 1.00 0.00 N ATOM 186 CA GLU A 14 -7.120 -0.723 1.429 1.00 0.00 C ATOM 187 C GLU A 14 -6.586 0.473 2.219 1.00 0.00 C ATOM 188 O GLU A 14 -5.495 0.952 1.985 1.00 0.00 O ATOM 189 CB GLU A 14 -8.294 -0.295 0.548 1.00 0.00 C ATOM 190 CG GLU A 14 -7.845 0.820 -0.399 1.00 0.00 C ATOM 191 CD GLU A 14 -8.606 2.106 -0.073 1.00 0.00 C ATOM 192 OE1 GLU A 14 -9.757 2.006 0.321 1.00 0.00 O ATOM 193 OE2 GLU A 14 -8.026 3.169 -0.222 1.00 0.00 O ATOM 0 H GLU A 14 -8.682 -1.941 2.226 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.289 -1.117 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.661 -1.147 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.120 0.052 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.772 0.985 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.029 0.529 -1.433 1.00 0.00 H new ATOM 200 N ALA A 15 -7.354 0.958 3.155 1.00 0.00 N ATOM 201 CA ALA A 15 -6.902 2.125 3.964 1.00 0.00 C ATOM 202 C ALA A 15 -5.835 1.694 4.974 1.00 0.00 C ATOM 203 O ALA A 15 -4.883 2.405 5.226 1.00 0.00 O ATOM 204 CB ALA A 15 -8.161 2.607 4.682 1.00 0.00 C ATOM 0 H ALA A 15 -8.277 0.596 3.395 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.453 2.907 3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.918 3.469 5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.913 2.891 3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.551 1.806 5.309 1.00 0.00 H new ATOM 210 N LYS A 16 -5.986 0.535 5.556 1.00 0.00 N ATOM 211 CA LYS A 16 -4.978 0.065 6.550 1.00 0.00 C ATOM 212 C LYS A 16 -3.591 0.013 5.907 1.00 0.00 C ATOM 213 O LYS A 16 -2.603 0.391 6.508 1.00 0.00 O ATOM 214 CB LYS A 16 -5.438 -1.338 6.947 1.00 0.00 C ATOM 215 CG LYS A 16 -5.692 -1.384 8.456 1.00 0.00 C ATOM 216 CD LYS A 16 -4.405 -1.028 9.202 1.00 0.00 C ATOM 217 CE LYS A 16 -3.285 -1.980 8.775 1.00 0.00 C ATOM 218 NZ LYS A 16 -2.220 -1.806 9.801 1.00 0.00 N ATOM 0 H LYS A 16 -6.762 -0.105 5.387 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.905 0.728 7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.347 -1.601 6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.680 -2.072 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.485 -0.685 8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.031 -2.378 8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.122 0.003 8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.565 -1.098 10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.635 -3.012 8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.917 -1.735 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.287 -1.881 9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.315 -0.870 10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.313 -2.545 10.527 1.00 0.00 H new ATOM 232 N ILE A 17 -3.508 -0.448 4.690 1.00 0.00 N ATOM 233 CA ILE A 17 -2.184 -0.520 4.009 1.00 0.00 C ATOM 234 C ILE A 17 -1.721 0.883 3.611 1.00 0.00 C ATOM 235 O ILE A 17 -0.568 1.234 3.762 1.00 0.00 O ATOM 236 CB ILE A 17 -2.424 -1.381 2.770 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.518 -2.852 3.185 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.266 -1.202 1.787 1.00 0.00 C ATOM 239 CD1 ILE A 17 -2.861 -3.708 1.965 1.00 0.00 C ATOM 0 H ILE A 17 -4.299 -0.778 4.137 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.409 -0.939 4.650 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.354 -1.076 2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.573 -3.179 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.280 -2.975 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.440 -1.817 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.198 -0.155 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.334 -1.506 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.928 -4.755 2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.817 -3.386 1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.083 -3.594 1.210 1.00 0.00 H new ATOM 251 N CYS A 18 -2.613 1.691 3.108 1.00 0.00 N ATOM 252 CA CYS A 18 -2.224 3.074 2.706 1.00 0.00 C ATOM 253 C CYS A 18 -1.717 3.851 3.923 1.00 0.00 C ATOM 254 O CYS A 18 -0.730 4.556 3.855 1.00 0.00 O ATOM 255 CB CYS A 18 -3.506 3.705 2.161 1.00 0.00 C ATOM 256 SG CYS A 18 -3.874 3.012 0.529 1.00 0.00 S ATOM 0 H CYS A 18 -3.594 1.455 2.958 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.423 3.081 1.967 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.335 3.517 2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.390 4.787 2.091 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.691 2.009 0.658 1.00 0.00 H new ATOM 262 N HIS A 19 -2.384 3.724 5.037 1.00 0.00 N ATOM 263 CA HIS A 19 -1.941 4.451 6.261 1.00 0.00 C ATOM 264 C HIS A 19 -0.504 4.059 6.612 1.00 0.00 C ATOM 265 O HIS A 19 0.279 4.874 7.056 1.00 0.00 O ATOM 266 CB HIS A 19 -2.905 4.008 7.361 1.00 0.00 C ATOM 267 CG HIS A 19 -4.205 4.750 7.216 1.00 0.00 C ATOM 268 ND1 HIS A 19 -4.256 6.091 6.868 1.00 0.00 N ATOM 269 CD2 HIS A 19 -5.510 4.352 7.370 1.00 0.00 C ATOM 270 CE1 HIS A 19 -5.553 6.448 6.824 1.00 0.00 C ATOM 271 NE2 HIS A 19 -6.360 5.426 7.122 1.00 0.00 N ATOM 0 H HIS A 19 -3.218 3.148 5.153 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.953 5.533 6.127 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.078 2.934 7.297 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.470 4.203 8.341 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -5.829 3.357 7.642 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.899 7.441 6.578 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -7.379 5.431 7.160 1.00 0.00 H new ATOM 279 N GLN A 20 -0.147 2.820 6.410 1.00 0.00 N ATOM 280 CA GLN A 20 1.245 2.395 6.729 1.00 0.00 C ATOM 281 C GLN A 20 2.219 3.159 5.833 1.00 0.00 C ATOM 282 O GLN A 20 3.187 3.735 6.295 1.00 0.00 O ATOM 283 CB GLN A 20 1.287 0.898 6.421 1.00 0.00 C ATOM 284 CG GLN A 20 0.735 0.115 7.614 1.00 0.00 C ATOM 285 CD GLN A 20 1.819 -0.817 8.159 1.00 0.00 C ATOM 286 OE1 GLN A 20 2.845 -1.004 7.535 1.00 0.00 O ATOM 287 NE2 GLN A 20 1.635 -1.413 9.305 1.00 0.00 N ATOM 0 H GLN A 20 -0.754 2.088 6.041 1.00 0.00 H new ATOM 0 HA GLN A 20 1.523 2.595 7.764 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.700 0.683 5.528 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.311 0.588 6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.406 0.803 8.393 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.138 -0.463 7.311 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.774 -1.256 9.829 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.352 -2.036 9.677 1.00 0.00 H new ATOM 296 N ILE A 21 1.952 3.196 4.556 1.00 0.00 N ATOM 297 CA ILE A 21 2.849 3.948 3.639 1.00 0.00 C ATOM 298 C ILE A 21 2.911 5.399 4.105 1.00 0.00 C ATOM 299 O ILE A 21 3.936 6.049 4.040 1.00 0.00 O ATOM 300 CB ILE A 21 2.188 3.852 2.265 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.076 2.381 1.852 1.00 0.00 C ATOM 302 CG2 ILE A 21 3.037 4.605 1.241 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.472 1.814 1.592 1.00 0.00 C ATOM 0 H ILE A 21 1.155 2.740 4.111 1.00 0.00 H new ATOM 0 HA ILE A 21 3.866 3.557 3.616 1.00 0.00 H new ATOM 0 HB ILE A 21 1.192 4.293 2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.580 1.809 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.463 2.290 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.568 4.538 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.117 5.652 1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.032 4.163 1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.391 0.767 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.951 2.379 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.071 1.891 2.500 1.00 0.00 H new ATOM 315 N GLU A 22 1.813 5.899 4.597 1.00 0.00 N ATOM 316 CA GLU A 22 1.780 7.298 5.098 1.00 0.00 C ATOM 317 C GLU A 22 2.788 7.464 6.239 1.00 0.00 C ATOM 318 O GLU A 22 3.385 8.507 6.406 1.00 0.00 O ATOM 319 CB GLU A 22 0.353 7.500 5.610 1.00 0.00 C ATOM 320 CG GLU A 22 -0.292 8.676 4.875 1.00 0.00 C ATOM 321 CD GLU A 22 -1.809 8.484 4.835 1.00 0.00 C ATOM 322 OE1 GLU A 22 -2.282 7.854 3.904 1.00 0.00 O ATOM 323 OE2 GLU A 22 -2.471 8.970 5.737 1.00 0.00 O ATOM 0 H GLU A 22 0.931 5.393 4.674 1.00 0.00 H new ATOM 0 HA GLU A 22 2.042 8.024 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.233 6.594 5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.364 7.690 6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.047 9.611 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.103 8.746 3.862 1.00 0.00 H new ATOM 330 N TYR A 23 2.964 6.448 7.039 1.00 0.00 N ATOM 331 CA TYR A 23 3.919 6.553 8.180 1.00 0.00 C ATOM 332 C TYR A 23 5.356 6.781 7.684 1.00 0.00 C ATOM 333 O TYR A 23 6.065 7.616 8.209 1.00 0.00 O ATOM 334 CB TYR A 23 3.797 5.218 8.919 1.00 0.00 C ATOM 335 CG TYR A 23 5.106 4.882 9.592 1.00 0.00 C ATOM 336 CD1 TYR A 23 5.497 5.561 10.752 1.00 0.00 C ATOM 337 CD2 TYR A 23 5.929 3.893 9.049 1.00 0.00 C ATOM 338 CE1 TYR A 23 6.713 5.245 11.370 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.146 3.576 9.664 1.00 0.00 C ATOM 340 CZ TYR A 23 7.539 4.253 10.825 1.00 0.00 C ATOM 341 OH TYR A 23 8.737 3.942 11.433 1.00 0.00 O ATOM 0 H TYR A 23 2.488 5.550 6.952 1.00 0.00 H new ATOM 0 HA TYR A 23 3.690 7.401 8.826 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.001 5.275 9.661 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.525 4.428 8.219 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.861 6.328 11.170 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.626 3.372 8.153 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.014 5.766 12.267 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.781 2.810 9.244 1.00 0.00 H new ATOM 0 HH TYR A 23 9.186 3.233 10.927 1.00 0.00 H new ATOM 351 N TYR A 24 5.804 6.061 6.683 1.00 0.00 N ATOM 352 CA TYR A 24 7.206 6.292 6.204 1.00 0.00 C ATOM 353 C TYR A 24 7.274 7.558 5.349 1.00 0.00 C ATOM 354 O TYR A 24 8.226 8.311 5.410 1.00 0.00 O ATOM 355 CB TYR A 24 7.616 5.096 5.333 1.00 0.00 C ATOM 356 CG TYR A 24 6.858 3.849 5.701 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.362 2.980 6.675 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.667 3.548 5.042 1.00 0.00 C ATOM 359 CE1 TYR A 24 6.664 1.809 6.992 1.00 0.00 C ATOM 360 CE2 TYR A 24 4.972 2.380 5.354 1.00 0.00 C ATOM 361 CZ TYR A 24 5.468 1.508 6.330 1.00 0.00 C ATOM 362 OH TYR A 24 4.780 0.352 6.639 1.00 0.00 O ATOM 0 H TYR A 24 5.277 5.342 6.188 1.00 0.00 H new ATOM 0 HA TYR A 24 7.869 6.404 7.062 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.438 5.333 4.284 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.686 4.917 5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.287 3.212 7.181 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.282 4.220 4.289 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.048 1.138 7.747 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.050 2.148 4.842 1.00 0.00 H new ATOM 0 HH TYR A 24 4.047 0.562 7.254 1.00 0.00 H new ATOM 372 N PHE A 25 6.289 7.778 4.525 1.00 0.00 N ATOM 373 CA PHE A 25 6.322 8.978 3.636 1.00 0.00 C ATOM 374 C PHE A 25 5.609 10.175 4.270 1.00 0.00 C ATOM 375 O PHE A 25 5.844 11.304 3.890 1.00 0.00 O ATOM 376 CB PHE A 25 5.590 8.541 2.366 1.00 0.00 C ATOM 377 CG PHE A 25 6.534 7.766 1.479 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.648 8.400 0.919 1.00 0.00 C ATOM 379 CD2 PHE A 25 6.294 6.411 1.217 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.523 7.682 0.096 1.00 0.00 C ATOM 381 CE2 PHE A 25 7.169 5.693 0.394 1.00 0.00 C ATOM 382 CZ PHE A 25 8.283 6.328 -0.167 1.00 0.00 C ATOM 0 H PHE A 25 5.466 7.184 4.427 1.00 0.00 H new ATOM 0 HA PHE A 25 7.345 9.303 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.729 7.925 2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.210 9.414 1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.833 9.445 1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.434 5.921 1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.383 8.172 -0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.985 4.648 0.192 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.957 5.774 -0.803 1.00 0.00 H new ATOM 392 N GLY A 26 4.719 9.947 5.196 1.00 0.00 N ATOM 393 CA GLY A 26 3.968 11.080 5.825 1.00 0.00 C ATOM 394 C GLY A 26 4.923 12.157 6.361 1.00 0.00 C ATOM 395 O GLY A 26 4.744 12.666 7.449 1.00 0.00 O ATOM 0 H GLY A 26 4.476 9.021 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.293 11.522 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.350 10.701 6.639 1.00 0.00 H new ATOM 399 N ASP A 27 5.918 12.523 5.603 1.00 0.00 N ATOM 400 CA ASP A 27 6.868 13.582 6.054 1.00 0.00 C ATOM 401 C ASP A 27 7.525 13.233 7.397 1.00 0.00 C ATOM 402 O ASP A 27 8.461 13.883 7.811 1.00 0.00 O ATOM 403 CB ASP A 27 6.010 14.839 6.197 1.00 0.00 C ATOM 404 CG ASP A 27 5.354 15.165 4.854 1.00 0.00 C ATOM 405 OD1 ASP A 27 5.808 14.637 3.852 1.00 0.00 O ATOM 406 OD2 ASP A 27 4.410 15.938 4.849 1.00 0.00 O ATOM 0 H ASP A 27 6.117 12.132 4.682 1.00 0.00 H new ATOM 0 HA ASP A 27 7.687 13.704 5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.246 14.686 6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.625 15.677 6.526 1.00 0.00 H new ATOM 411 N PHE A 28 7.052 12.234 8.093 1.00 0.00 N ATOM 412 CA PHE A 28 7.680 11.899 9.404 1.00 0.00 C ATOM 413 C PHE A 28 8.955 11.078 9.204 1.00 0.00 C ATOM 414 O PHE A 28 9.985 11.364 9.782 1.00 0.00 O ATOM 415 CB PHE A 28 6.627 11.080 10.150 1.00 0.00 C ATOM 416 CG PHE A 28 6.897 11.150 11.633 1.00 0.00 C ATOM 417 CD1 PHE A 28 6.801 12.375 12.305 1.00 0.00 C ATOM 418 CD2 PHE A 28 7.241 9.989 12.338 1.00 0.00 C ATOM 419 CE1 PHE A 28 7.052 12.440 13.681 1.00 0.00 C ATOM 420 CE2 PHE A 28 7.490 10.055 13.713 1.00 0.00 C ATOM 421 CZ PHE A 28 7.396 11.279 14.385 1.00 0.00 C ATOM 0 H PHE A 28 6.269 11.642 7.816 1.00 0.00 H new ATOM 0 HA PHE A 28 7.972 12.794 9.954 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.630 11.464 9.932 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.650 10.044 9.813 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.533 13.269 11.762 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.314 9.044 11.820 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.980 13.385 14.199 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.755 9.160 14.257 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.589 11.328 15.447 1.00 0.00 H new ATOM 431 N ASN A 29 8.885 10.044 8.418 1.00 0.00 N ATOM 432 CA ASN A 29 10.083 9.179 8.200 1.00 0.00 C ATOM 433 C ASN A 29 11.083 9.806 7.218 1.00 0.00 C ATOM 434 O ASN A 29 12.275 9.613 7.336 1.00 0.00 O ATOM 435 CB ASN A 29 9.515 7.885 7.622 1.00 0.00 C ATOM 436 CG ASN A 29 9.754 6.736 8.605 1.00 0.00 C ATOM 437 OD1 ASN A 29 10.099 5.642 8.205 1.00 0.00 O ATOM 438 ND2 ASN A 29 9.586 6.942 9.882 1.00 0.00 N ATOM 0 H ASN A 29 8.047 9.756 7.913 1.00 0.00 H new ATOM 0 HA ASN A 29 10.638 9.030 9.126 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.448 7.998 7.431 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.988 7.663 6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.744 6.184 10.546 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.296 7.861 10.217 1.00 0.00 H new ATOM 445 N LEU A 30 10.614 10.518 6.231 1.00 0.00 N ATOM 446 CA LEU A 30 11.546 11.111 5.218 1.00 0.00 C ATOM 447 C LEU A 30 12.596 12.037 5.856 1.00 0.00 C ATOM 448 O LEU A 30 13.727 12.072 5.414 1.00 0.00 O ATOM 449 CB LEU A 30 10.644 11.905 4.275 1.00 0.00 C ATOM 450 CG LEU A 30 9.771 10.941 3.471 1.00 0.00 C ATOM 451 CD1 LEU A 30 8.342 11.481 3.405 1.00 0.00 C ATOM 452 CD2 LEU A 30 10.333 10.807 2.054 1.00 0.00 C ATOM 0 H LEU A 30 9.625 10.718 6.078 1.00 0.00 H new ATOM 0 HA LEU A 30 12.115 10.332 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.017 12.590 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.249 12.512 3.602 1.00 0.00 H new ATOM 0 HG LEU A 30 9.767 9.964 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.720 10.794 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.942 11.577 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.344 12.458 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.712 10.120 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.337 11.784 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.352 10.422 2.101 1.00 0.00 H new ATOM 464 N PRO A 31 12.196 12.764 6.861 1.00 0.00 N ATOM 465 CA PRO A 31 13.133 13.698 7.537 1.00 0.00 C ATOM 466 C PRO A 31 14.357 12.955 8.089 1.00 0.00 C ATOM 467 O PRO A 31 15.397 13.544 8.310 1.00 0.00 O ATOM 468 CB PRO A 31 12.311 14.290 8.680 1.00 0.00 C ATOM 469 CG PRO A 31 10.882 14.007 8.341 1.00 0.00 C ATOM 470 CD PRO A 31 10.861 12.793 7.452 1.00 0.00 C ATOM 0 HA PRO A 31 13.521 14.455 6.855 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.584 13.838 9.633 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.486 15.362 8.774 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.301 13.830 9.246 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.431 14.861 7.835 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.656 11.886 8.020 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.088 12.871 6.688 1.00 0.00 H new ATOM 478 N ARG A 32 14.250 11.676 8.321 1.00 0.00 N ATOM 479 CA ARG A 32 15.424 10.926 8.864 1.00 0.00 C ATOM 480 C ARG A 32 15.524 9.531 8.235 1.00 0.00 C ATOM 481 O ARG A 32 16.448 8.790 8.502 1.00 0.00 O ATOM 482 CB ARG A 32 15.158 10.817 10.365 1.00 0.00 C ATOM 483 CG ARG A 32 16.490 10.705 11.112 1.00 0.00 C ATOM 484 CD ARG A 32 16.223 10.494 12.603 1.00 0.00 C ATOM 485 NE ARG A 32 15.602 11.766 13.067 1.00 0.00 N ATOM 486 CZ ARG A 32 15.478 12.006 14.345 1.00 0.00 C ATOM 487 NH1 ARG A 32 15.898 11.131 15.219 1.00 0.00 N ATOM 488 NH2 ARG A 32 14.934 13.121 14.749 1.00 0.00 N ATOM 0 H ARG A 32 13.410 11.120 8.161 1.00 0.00 H new ATOM 0 HA ARG A 32 16.365 11.431 8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.606 11.691 10.712 1.00 0.00 H new ATOM 0 HB3 ARG A 32 14.538 9.945 10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 32 17.073 9.874 10.715 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.080 11.609 10.962 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.558 9.647 12.769 1.00 0.00 H new ATOM 0 HD3 ARG A 32 17.146 10.285 13.144 1.00 0.00 H new ATOM 0 HE ARG A 32 15.273 12.450 12.386 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.323 10.259 14.904 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.801 11.320 16.217 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.606 13.805 14.067 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.837 13.309 15.747 1.00 0.00 H new ATOM 502 N ASP A 33 14.571 9.155 7.430 1.00 0.00 N ATOM 503 CA ASP A 33 14.603 7.796 6.819 1.00 0.00 C ATOM 504 C ASP A 33 15.847 7.603 5.949 1.00 0.00 C ATOM 505 O ASP A 33 15.929 8.098 4.843 1.00 0.00 O ATOM 506 CB ASP A 33 13.344 7.730 5.954 1.00 0.00 C ATOM 507 CG ASP A 33 12.236 7.012 6.724 1.00 0.00 C ATOM 508 OD1 ASP A 33 12.175 7.179 7.930 1.00 0.00 O ATOM 509 OD2 ASP A 33 11.467 6.305 6.092 1.00 0.00 O ATOM 0 H ASP A 33 13.770 9.730 7.168 1.00 0.00 H new ATOM 0 HA ASP A 33 14.637 7.016 7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.022 8.736 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.556 7.203 5.024 1.00 0.00 H new ATOM 514 N LYS A 34 16.809 6.867 6.440 1.00 0.00 N ATOM 515 CA LYS A 34 18.044 6.616 5.639 1.00 0.00 C ATOM 516 C LYS A 34 17.736 5.619 4.525 1.00 0.00 C ATOM 517 O LYS A 34 18.121 5.797 3.386 1.00 0.00 O ATOM 518 CB LYS A 34 19.058 6.016 6.618 1.00 0.00 C ATOM 519 CG LYS A 34 18.929 6.688 7.986 1.00 0.00 C ATOM 520 CD LYS A 34 19.034 8.207 7.825 1.00 0.00 C ATOM 521 CE LYS A 34 20.504 8.627 7.872 1.00 0.00 C ATOM 522 NZ LYS A 34 21.105 8.067 6.629 1.00 0.00 N ATOM 0 H LYS A 34 16.793 6.429 7.361 1.00 0.00 H new ATOM 0 HA LYS A 34 18.425 7.526 5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.891 4.943 6.714 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.069 6.148 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.975 6.426 8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.711 6.328 8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.587 8.514 6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.477 8.706 8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.604 9.712 7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 34 20.998 8.235 8.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 21.909 8.658 6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 21.435 7.097 6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.391 8.054 5.873 1.00 0.00 H new ATOM 536 N PHE A 35 17.040 4.568 4.853 1.00 0.00 N ATOM 537 CA PHE A 35 16.693 3.543 3.824 1.00 0.00 C ATOM 538 C PHE A 35 15.731 4.138 2.795 1.00 0.00 C ATOM 539 O PHE A 35 15.875 3.936 1.605 1.00 0.00 O ATOM 540 CB PHE A 35 16.019 2.410 4.600 1.00 0.00 C ATOM 541 CG PHE A 35 14.789 2.934 5.304 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.561 2.971 4.632 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.877 3.380 6.627 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.420 3.455 5.286 1.00 0.00 C ATOM 545 CE2 PHE A 35 13.736 3.865 7.280 1.00 0.00 C ATOM 546 CZ PHE A 35 12.509 3.902 6.610 1.00 0.00 C ATOM 0 H PHE A 35 16.694 4.372 5.792 1.00 0.00 H new ATOM 0 HA PHE A 35 17.568 3.193 3.277 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.744 1.604 3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.715 1.991 5.327 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.493 2.627 3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.824 3.351 7.145 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.472 3.483 4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.804 4.210 8.301 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.630 4.275 7.114 1.00 0.00 H new ATOM 556 N LEU A 36 14.759 4.882 3.243 1.00 0.00 N ATOM 557 CA LEU A 36 13.795 5.504 2.293 1.00 0.00 C ATOM 558 C LEU A 36 14.533 6.500 1.396 1.00 0.00 C ATOM 559 O LEU A 36 14.228 6.652 0.231 1.00 0.00 O ATOM 560 CB LEU A 36 12.773 6.222 3.174 1.00 0.00 C ATOM 561 CG LEU A 36 11.375 6.087 2.565 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.458 6.238 1.044 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.798 4.711 2.909 1.00 0.00 C ATOM 0 H LEU A 36 14.590 5.087 4.228 1.00 0.00 H new ATOM 0 HA LEU A 36 13.316 4.774 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.784 5.799 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.038 7.275 3.269 1.00 0.00 H new ATOM 0 HG LEU A 36 10.729 6.865 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.461 6.141 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.866 7.218 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.106 5.462 0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.803 4.615 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.446 3.933 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.734 4.604 3.992 1.00 0.00 H new ATOM 575 N LYS A 37 15.515 7.168 1.937 1.00 0.00 N ATOM 576 CA LYS A 37 16.292 8.146 1.124 1.00 0.00 C ATOM 577 C LYS A 37 17.030 7.411 0.002 1.00 0.00 C ATOM 578 O LYS A 37 17.272 7.953 -1.058 1.00 0.00 O ATOM 579 CB LYS A 37 17.290 8.773 2.098 1.00 0.00 C ATOM 580 CG LYS A 37 17.391 10.276 1.830 1.00 0.00 C ATOM 581 CD LYS A 37 18.524 10.542 0.837 1.00 0.00 C ATOM 582 CE LYS A 37 18.655 12.048 0.601 1.00 0.00 C ATOM 583 NZ LYS A 37 17.931 12.303 -0.675 1.00 0.00 N ATOM 0 H LYS A 37 15.813 7.078 2.908 1.00 0.00 H new ATOM 0 HA LYS A 37 15.656 8.899 0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.971 8.597 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.268 8.306 1.983 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.448 10.649 1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.576 10.811 2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 37 19.461 10.141 1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.323 10.032 -0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.218 12.616 1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 37 19.701 12.346 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.977 13.317 -0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.373 11.755 -1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.937 12.016 -0.573 1.00 0.00 H new ATOM 597 N GLU A 38 17.384 6.175 0.227 1.00 0.00 N ATOM 598 CA GLU A 38 18.097 5.402 -0.828 1.00 0.00 C ATOM 599 C GLU A 38 17.145 5.113 -1.989 1.00 0.00 C ATOM 600 O GLU A 38 17.479 5.301 -3.142 1.00 0.00 O ATOM 601 CB GLU A 38 18.524 4.100 -0.146 1.00 0.00 C ATOM 602 CG GLU A 38 19.795 4.343 0.667 1.00 0.00 C ATOM 603 CD GLU A 38 21.021 4.121 -0.222 1.00 0.00 C ATOM 604 OE1 GLU A 38 21.479 2.994 -0.296 1.00 0.00 O ATOM 605 OE2 GLU A 38 21.479 5.084 -0.815 1.00 0.00 O ATOM 0 H GLU A 38 17.210 5.668 1.095 1.00 0.00 H new ATOM 0 HA GLU A 38 18.950 5.942 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.727 3.739 0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.700 3.326 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 38 19.798 5.359 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.826 3.669 1.523 1.00 0.00 H new ATOM 612 N GLN A 39 15.958 4.661 -1.693 1.00 0.00 N ATOM 613 CA GLN A 39 14.979 4.363 -2.776 1.00 0.00 C ATOM 614 C GLN A 39 14.478 5.670 -3.397 1.00 0.00 C ATOM 615 O GLN A 39 14.392 5.804 -4.601 1.00 0.00 O ATOM 616 CB GLN A 39 13.837 3.620 -2.085 1.00 0.00 C ATOM 617 CG GLN A 39 14.220 2.151 -1.897 1.00 0.00 C ATOM 618 CD GLN A 39 15.603 2.059 -1.248 1.00 0.00 C ATOM 619 OE1 GLN A 39 16.603 2.345 -1.878 1.00 0.00 O ATOM 620 NE2 GLN A 39 15.703 1.668 -0.007 1.00 0.00 N ATOM 0 H GLN A 39 15.623 4.485 -0.746 1.00 0.00 H new ATOM 0 HA GLN A 39 15.414 3.772 -3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.624 4.077 -1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.927 3.696 -2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.480 1.649 -1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.224 1.640 -2.860 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.864 1.428 0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 39 16.620 1.602 0.435 1.00 0.00 H new ATOM 629 N ILE A 40 14.154 6.639 -2.583 1.00 0.00 N ATOM 630 CA ILE A 40 13.669 7.936 -3.136 1.00 0.00 C ATOM 631 C ILE A 40 14.730 8.513 -4.078 1.00 0.00 C ATOM 632 O ILE A 40 14.423 9.068 -5.113 1.00 0.00 O ATOM 633 CB ILE A 40 13.451 8.841 -1.918 1.00 0.00 C ATOM 634 CG1 ILE A 40 12.393 9.895 -2.253 1.00 0.00 C ATOM 635 CG2 ILE A 40 14.759 9.539 -1.541 1.00 0.00 C ATOM 636 CD1 ILE A 40 11.015 9.233 -2.315 1.00 0.00 C ATOM 0 H ILE A 40 14.204 6.589 -1.565 1.00 0.00 H new ATOM 0 HA ILE A 40 12.750 7.834 -3.713 1.00 0.00 H new ATOM 0 HB ILE A 40 13.116 8.233 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.397 10.682 -1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.625 10.367 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.593 10.179 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.514 8.791 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.103 10.145 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.261 9.983 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.016 8.462 -3.086 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.785 8.781 -1.350 1.00 0.00 H new ATOM 648 N LYS A 41 15.978 8.376 -3.732 1.00 0.00 N ATOM 649 CA LYS A 41 17.054 8.903 -4.617 1.00 0.00 C ATOM 650 C LYS A 41 17.307 7.915 -5.760 1.00 0.00 C ATOM 651 O LYS A 41 17.712 8.293 -6.842 1.00 0.00 O ATOM 652 CB LYS A 41 18.288 9.016 -3.720 1.00 0.00 C ATOM 653 CG LYS A 41 19.486 9.478 -4.552 1.00 0.00 C ATOM 654 CD LYS A 41 20.157 10.668 -3.862 1.00 0.00 C ATOM 655 CE LYS A 41 21.618 10.762 -4.311 1.00 0.00 C ATOM 656 NZ LYS A 41 22.287 11.585 -3.266 1.00 0.00 N ATOM 0 H LYS A 41 16.300 7.923 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 41 16.795 9.861 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.099 9.723 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.503 8.053 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.199 8.662 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.160 9.761 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.630 11.590 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.105 10.551 -2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.072 9.774 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.700 11.227 -5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 23.294 11.695 -3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.837 12.522 -3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.198 11.114 -2.343 1.00 0.00 H new ATOM 670 N LEU A 42 17.076 6.651 -5.514 1.00 0.00 N ATOM 671 CA LEU A 42 17.301 5.607 -6.560 1.00 0.00 C ATOM 672 C LEU A 42 17.243 6.203 -7.968 1.00 0.00 C ATOM 673 O LEU A 42 18.234 6.245 -8.669 1.00 0.00 O ATOM 674 CB LEU A 42 16.167 4.601 -6.361 1.00 0.00 C ATOM 675 CG LEU A 42 16.622 3.218 -6.829 1.00 0.00 C ATOM 676 CD1 LEU A 42 17.657 2.663 -5.848 1.00 0.00 C ATOM 677 CD2 LEU A 42 15.418 2.277 -6.884 1.00 0.00 C ATOM 0 H LEU A 42 16.737 6.293 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 42 18.287 5.151 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.880 4.564 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 42 15.286 4.914 -6.922 1.00 0.00 H new ATOM 0 HG LEU A 42 17.067 3.298 -7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 42 17.982 1.677 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 42 18.516 3.333 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.212 2.583 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 42 15.742 1.291 -7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.973 2.197 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.679 2.672 -7.582 1.00 0.00 H new ATOM 689 N ASP A 43 16.097 6.656 -8.398 1.00 0.00 N ATOM 690 CA ASP A 43 16.013 7.233 -9.771 1.00 0.00 C ATOM 691 C ASP A 43 14.697 7.987 -9.992 1.00 0.00 C ATOM 692 O ASP A 43 13.661 7.397 -10.229 1.00 0.00 O ATOM 693 CB ASP A 43 16.095 6.025 -10.706 1.00 0.00 C ATOM 694 CG ASP A 43 15.771 6.465 -12.135 1.00 0.00 C ATOM 695 OD1 ASP A 43 14.606 6.693 -12.414 1.00 0.00 O ATOM 696 OD2 ASP A 43 16.695 6.566 -12.926 1.00 0.00 O ATOM 0 H ASP A 43 15.226 6.653 -7.867 1.00 0.00 H new ATOM 0 HA ASP A 43 16.807 7.959 -9.946 1.00 0.00 H new ATOM 0 HB2 ASP A 43 17.092 5.587 -10.666 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.395 5.254 -10.384 1.00 0.00 H new ATOM 701 N GLU A 44 14.745 9.291 -9.941 1.00 0.00 N ATOM 702 CA GLU A 44 13.522 10.117 -10.175 1.00 0.00 C ATOM 703 C GLU A 44 12.604 10.097 -8.955 1.00 0.00 C ATOM 704 O GLU A 44 11.545 10.692 -8.959 1.00 0.00 O ATOM 705 CB GLU A 44 12.825 9.478 -11.377 1.00 0.00 C ATOM 706 CG GLU A 44 12.391 10.571 -12.357 1.00 0.00 C ATOM 707 CD GLU A 44 10.879 10.775 -12.258 1.00 0.00 C ATOM 708 OE1 GLU A 44 10.152 9.922 -12.741 1.00 0.00 O ATOM 709 OE2 GLU A 44 10.472 11.782 -11.700 1.00 0.00 O ATOM 0 H GLU A 44 15.590 9.827 -9.745 1.00 0.00 H new ATOM 0 HA GLU A 44 13.775 11.162 -10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.499 8.778 -11.872 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.958 8.906 -11.046 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.910 11.503 -12.132 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.665 10.292 -13.374 1.00 0.00 H new ATOM 716 N GLY A 45 12.985 9.414 -7.916 1.00 0.00 N ATOM 717 CA GLY A 45 12.110 9.365 -6.718 1.00 0.00 C ATOM 718 C GLY A 45 11.012 8.336 -6.956 1.00 0.00 C ATOM 719 O GLY A 45 9.840 8.655 -6.970 1.00 0.00 O ATOM 0 H GLY A 45 13.858 8.891 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.692 9.099 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.674 10.346 -6.528 1.00 0.00 H new ATOM 723 N TRP A 46 11.379 7.098 -7.136 1.00 0.00 N ATOM 724 CA TRP A 46 10.349 6.044 -7.364 1.00 0.00 C ATOM 725 C TRP A 46 10.763 4.743 -6.671 1.00 0.00 C ATOM 726 O TRP A 46 11.686 4.071 -7.090 1.00 0.00 O ATOM 727 CB TRP A 46 10.301 5.850 -8.879 1.00 0.00 C ATOM 728 CG TRP A 46 9.364 6.846 -9.479 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.666 7.671 -10.507 1.00 0.00 C ATOM 730 CD2 TRP A 46 7.984 7.140 -9.110 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.564 8.453 -10.793 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.500 8.164 -9.960 1.00 0.00 C ATOM 733 CE3 TRP A 46 7.112 6.624 -8.131 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.201 8.658 -9.844 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.803 7.120 -8.013 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.350 8.135 -8.868 1.00 0.00 C ATOM 0 H TRP A 46 12.345 6.770 -7.135 1.00 0.00 H new ATOM 0 HA TRP A 46 9.377 6.326 -6.960 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.298 5.971 -9.304 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.974 4.838 -9.117 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.615 7.712 -11.021 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.539 9.158 -11.530 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.452 5.843 -7.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.856 9.440 -10.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.142 6.717 -7.260 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.343 8.512 -8.772 1.00 0.00 H new ATOM 747 N VAL A 47 10.088 4.384 -5.616 1.00 0.00 N ATOM 748 CA VAL A 47 10.439 3.125 -4.896 1.00 0.00 C ATOM 749 C VAL A 47 9.440 2.025 -5.257 1.00 0.00 C ATOM 750 O VAL A 47 8.258 2.277 -5.362 1.00 0.00 O ATOM 751 CB VAL A 47 10.329 3.477 -3.412 1.00 0.00 C ATOM 752 CG1 VAL A 47 11.019 2.397 -2.577 1.00 0.00 C ATOM 753 CG2 VAL A 47 11.003 4.827 -3.158 1.00 0.00 C ATOM 0 H VAL A 47 9.307 4.907 -5.219 1.00 0.00 H new ATOM 0 HA VAL A 47 11.432 2.758 -5.156 1.00 0.00 H new ATOM 0 HB VAL A 47 9.278 3.536 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 47 10.940 2.649 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.539 1.435 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.070 2.336 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.925 5.079 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.054 4.768 -3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.510 5.597 -3.752 1.00 0.00 H new ATOM 763 N PRO A 48 9.941 0.834 -5.438 1.00 0.00 N ATOM 764 CA PRO A 48 9.078 -0.301 -5.789 1.00 0.00 C ATOM 765 C PRO A 48 8.580 -0.978 -4.513 1.00 0.00 C ATOM 766 O PRO A 48 9.268 -1.028 -3.513 1.00 0.00 O ATOM 767 CB PRO A 48 10.005 -1.224 -6.574 1.00 0.00 C ATOM 768 CG PRO A 48 11.406 -0.801 -6.225 1.00 0.00 C ATOM 769 CD PRO A 48 11.333 0.420 -5.340 1.00 0.00 C ATOM 0 HA PRO A 48 8.192 -0.021 -6.359 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.835 -2.267 -6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.827 -1.136 -7.646 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.929 -1.609 -5.713 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.971 -0.579 -7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.610 0.187 -4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.009 1.204 -5.682 1.00 0.00 H new ATOM 777 N LEU A 49 7.384 -1.479 -4.537 1.00 0.00 N ATOM 778 CA LEU A 49 6.826 -2.135 -3.315 1.00 0.00 C ATOM 779 C LEU A 49 7.725 -3.287 -2.858 1.00 0.00 C ATOM 780 O LEU A 49 7.465 -3.918 -1.855 1.00 0.00 O ATOM 781 CB LEU A 49 5.454 -2.666 -3.736 1.00 0.00 C ATOM 782 CG LEU A 49 4.723 -1.605 -4.560 1.00 0.00 C ATOM 783 CD1 LEU A 49 4.520 -2.116 -5.987 1.00 0.00 C ATOM 784 CD2 LEU A 49 3.360 -1.318 -3.927 1.00 0.00 C ATOM 0 H LEU A 49 6.763 -1.466 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 49 6.759 -1.439 -2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.570 -3.579 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.867 -2.924 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 49 5.317 -0.691 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.999 -1.359 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.489 -2.323 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.927 -3.030 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.838 -0.562 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.768 -2.233 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.501 -0.954 -2.909 1.00 0.00 H new ATOM 796 N GLU A 50 8.797 -3.545 -3.553 1.00 0.00 N ATOM 797 CA GLU A 50 9.704 -4.635 -3.103 1.00 0.00 C ATOM 798 C GLU A 50 10.301 -4.217 -1.764 1.00 0.00 C ATOM 799 O GLU A 50 10.386 -4.986 -0.826 1.00 0.00 O ATOM 800 CB GLU A 50 10.790 -4.751 -4.172 1.00 0.00 C ATOM 801 CG GLU A 50 11.585 -3.450 -4.257 1.00 0.00 C ATOM 802 CD GLU A 50 12.708 -3.613 -5.284 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.529 -4.385 -6.212 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.727 -2.962 -5.125 1.00 0.00 O ATOM 0 H GLU A 50 9.081 -3.056 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 50 9.198 -5.592 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.458 -5.579 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.337 -4.973 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.930 -2.628 -4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.002 -3.200 -3.281 1.00 0.00 H new ATOM 811 N ILE A 51 10.683 -2.978 -1.678 1.00 0.00 N ATOM 812 CA ILE A 51 11.250 -2.439 -0.410 1.00 0.00 C ATOM 813 C ILE A 51 10.204 -2.550 0.699 1.00 0.00 C ATOM 814 O ILE A 51 10.489 -2.917 1.821 1.00 0.00 O ATOM 815 CB ILE A 51 11.511 -0.958 -0.692 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.179 -0.770 -2.058 1.00 0.00 C ATOM 817 CG2 ILE A 51 12.409 -0.393 0.400 1.00 0.00 C ATOM 818 CD1 ILE A 51 13.343 -1.744 -2.214 1.00 0.00 C ATOM 0 H ILE A 51 10.627 -2.304 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 51 12.147 -2.974 -0.099 1.00 0.00 H new ATOM 0 HB ILE A 51 10.558 -0.429 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.451 -0.932 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.537 0.255 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.599 0.662 0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.918 -0.501 1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.354 -0.936 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.809 -1.600 -3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 51 14.078 -1.562 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.975 -2.767 -2.135 1.00 0.00 H new ATOM 830 N MET A 52 8.987 -2.236 0.362 1.00 0.00 N ATOM 831 CA MET A 52 7.873 -2.310 1.349 1.00 0.00 C ATOM 832 C MET A 52 7.423 -3.761 1.548 1.00 0.00 C ATOM 833 O MET A 52 7.120 -4.185 2.646 1.00 0.00 O ATOM 834 CB MET A 52 6.747 -1.478 0.734 1.00 0.00 C ATOM 835 CG MET A 52 6.626 -0.150 1.485 1.00 0.00 C ATOM 836 SD MET A 52 8.252 0.641 1.575 1.00 0.00 S ATOM 837 CE MET A 52 7.869 1.805 2.909 1.00 0.00 C ATOM 0 H MET A 52 8.711 -1.926 -0.570 1.00 0.00 H new ATOM 0 HA MET A 52 8.170 -1.939 2.330 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.950 -1.294 -0.321 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.806 -2.025 0.787 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.919 0.505 0.976 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.237 -0.321 2.489 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.750 2.407 3.131 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.053 2.458 2.599 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.573 1.252 3.800 1.00 0.00 H new ATOM 847 N ILE A 53 7.333 -4.511 0.482 1.00 0.00 N ATOM 848 CA ILE A 53 6.851 -5.920 0.594 1.00 0.00 C ATOM 849 C ILE A 53 7.779 -6.762 1.478 1.00 0.00 C ATOM 850 O ILE A 53 7.320 -7.591 2.239 1.00 0.00 O ATOM 851 CB ILE A 53 6.836 -6.443 -0.847 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.410 -6.370 -1.398 1.00 0.00 C ATOM 853 CG2 ILE A 53 7.321 -7.894 -0.894 1.00 0.00 C ATOM 854 CD1 ILE A 53 4.807 -4.998 -1.087 1.00 0.00 C ATOM 0 H ILE A 53 7.572 -4.209 -0.462 1.00 0.00 H new ATOM 0 HA ILE A 53 5.869 -5.977 1.063 1.00 0.00 H new ATOM 0 HB ILE A 53 7.502 -5.827 -1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.417 -6.540 -2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.798 -7.156 -0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.304 -8.250 -1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.338 -7.950 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.666 -8.516 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.792 -4.949 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.786 -4.846 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.414 -4.220 -1.551 1.00 0.00 H new ATOM 866 N LYS A 54 9.069 -6.577 1.406 1.00 0.00 N ATOM 867 CA LYS A 54 9.969 -7.395 2.270 1.00 0.00 C ATOM 868 C LYS A 54 10.162 -6.711 3.625 1.00 0.00 C ATOM 869 O LYS A 54 10.644 -7.305 4.569 1.00 0.00 O ATOM 870 CB LYS A 54 11.295 -7.464 1.509 1.00 0.00 C ATOM 871 CG LYS A 54 11.821 -6.048 1.268 1.00 0.00 C ATOM 872 CD LYS A 54 13.085 -5.824 2.099 1.00 0.00 C ATOM 873 CE LYS A 54 13.592 -4.396 1.885 1.00 0.00 C ATOM 874 NZ LYS A 54 14.101 -4.374 0.486 1.00 0.00 N ATOM 0 H LYS A 54 9.534 -5.905 0.796 1.00 0.00 H new ATOM 0 HA LYS A 54 9.563 -8.387 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.023 -8.042 2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.154 -7.978 0.558 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.039 -5.905 0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.061 -5.315 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.873 -5.991 3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.854 -6.541 1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.793 -3.668 2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.380 -4.146 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.558 -3.459 0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.793 -5.140 0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.308 -4.508 -0.174 1.00 0.00 H new ATOM 888 N PHE A 55 9.791 -5.464 3.728 1.00 0.00 N ATOM 889 CA PHE A 55 9.952 -4.740 5.022 1.00 0.00 C ATOM 890 C PHE A 55 8.953 -5.272 6.052 1.00 0.00 C ATOM 891 O PHE A 55 7.760 -5.288 5.824 1.00 0.00 O ATOM 892 CB PHE A 55 9.657 -3.276 4.696 1.00 0.00 C ATOM 893 CG PHE A 55 10.896 -2.446 4.934 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.683 -2.673 6.069 1.00 0.00 C ATOM 895 CD2 PHE A 55 11.257 -1.449 4.019 1.00 0.00 C ATOM 896 CE1 PHE A 55 12.831 -1.904 6.290 1.00 0.00 C ATOM 897 CE2 PHE A 55 12.405 -0.680 4.241 1.00 0.00 C ATOM 898 CZ PHE A 55 13.193 -0.907 5.376 1.00 0.00 C ATOM 0 H PHE A 55 9.383 -4.914 2.972 1.00 0.00 H new ATOM 0 HA PHE A 55 10.947 -4.870 5.447 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.337 -3.181 3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.838 -2.912 5.317 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.404 -3.442 6.774 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.650 -1.274 3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.438 -2.080 7.166 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.683 0.089 3.536 1.00 0.00 H new ATOM 0 HZ PHE A 55 14.079 -0.314 5.546 1.00 0.00 H new ATOM 908 N ASN A 56 9.430 -5.707 7.187 1.00 0.00 N ATOM 909 CA ASN A 56 8.505 -6.237 8.231 1.00 0.00 C ATOM 910 C ASN A 56 7.553 -5.134 8.701 1.00 0.00 C ATOM 911 O ASN A 56 6.491 -5.399 9.226 1.00 0.00 O ATOM 912 CB ASN A 56 9.415 -6.685 9.375 1.00 0.00 C ATOM 913 CG ASN A 56 8.694 -7.739 10.217 1.00 0.00 C ATOM 914 OD1 ASN A 56 7.977 -7.410 11.142 1.00 0.00 O ATOM 915 ND2 ASN A 56 8.854 -9.003 9.934 1.00 0.00 N ATOM 0 H ASN A 56 10.419 -5.719 7.437 1.00 0.00 H new ATOM 0 HA ASN A 56 7.886 -7.054 7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.343 -7.095 8.977 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.685 -5.830 9.996 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.378 -9.714 10.489 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.455 -9.280 9.158 1.00 0.00 H new ATOM 922 N ARG A 57 7.927 -3.896 8.518 1.00 0.00 N ATOM 923 CA ARG A 57 7.045 -2.777 8.956 1.00 0.00 C ATOM 924 C ARG A 57 5.689 -2.863 8.249 1.00 0.00 C ATOM 925 O ARG A 57 4.650 -2.691 8.854 1.00 0.00 O ATOM 926 CB ARG A 57 7.785 -1.504 8.545 1.00 0.00 C ATOM 927 CG ARG A 57 8.917 -1.228 9.537 1.00 0.00 C ATOM 928 CD ARG A 57 8.330 -0.695 10.846 1.00 0.00 C ATOM 929 NE ARG A 57 9.157 -1.315 11.918 1.00 0.00 N ATOM 930 CZ ARG A 57 8.860 -1.114 13.173 1.00 0.00 C ATOM 931 NH1 ARG A 57 7.836 -0.368 13.492 1.00 0.00 N ATOM 932 NH2 ARG A 57 9.584 -1.660 14.111 1.00 0.00 N ATOM 0 H ARG A 57 8.805 -3.612 8.084 1.00 0.00 H new ATOM 0 HA ARG A 57 6.846 -2.804 10.027 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.188 -1.614 7.538 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.094 -0.661 8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.481 -2.142 9.724 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.614 -0.503 9.117 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.381 0.393 10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.280 -0.969 10.949 1.00 0.00 H new ATOM 0 HE ARG A 57 9.957 -1.898 11.671 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.268 0.058 12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.605 -0.212 14.473 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.383 -2.244 13.864 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.351 -1.503 15.092 1.00 0.00 H new ATOM 946 N LEU A 58 5.690 -3.127 6.970 1.00 0.00 N ATOM 947 CA LEU A 58 4.401 -3.221 6.228 1.00 0.00 C ATOM 948 C LEU A 58 4.120 -4.673 5.834 1.00 0.00 C ATOM 949 O LEU A 58 2.983 -5.091 5.737 1.00 0.00 O ATOM 950 CB LEU A 58 4.595 -2.357 4.982 1.00 0.00 C ATOM 951 CG LEU A 58 3.475 -2.646 3.980 1.00 0.00 C ATOM 952 CD1 LEU A 58 2.153 -2.100 4.521 1.00 0.00 C ATOM 953 CD2 LEU A 58 3.797 -1.969 2.646 1.00 0.00 C ATOM 0 H LEU A 58 6.527 -3.281 6.408 1.00 0.00 H new ATOM 0 HA LEU A 58 3.556 -2.886 6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.590 -1.302 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.565 -2.565 4.530 1.00 0.00 H new ATOM 0 HG LEU A 58 3.390 -3.722 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.355 -2.306 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.923 -2.581 5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.238 -1.024 4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.000 -2.175 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.882 -0.893 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.739 -2.357 2.259 1.00 0.00 H new ATOM 965 N ASN A 59 5.145 -5.447 5.608 1.00 0.00 N ATOM 966 CA ASN A 59 4.932 -6.871 5.220 1.00 0.00 C ATOM 967 C ASN A 59 4.072 -7.579 6.270 1.00 0.00 C ATOM 968 O ASN A 59 3.443 -8.583 5.998 1.00 0.00 O ATOM 969 CB ASN A 59 6.333 -7.482 5.170 1.00 0.00 C ATOM 970 CG ASN A 59 6.223 -9.008 5.135 1.00 0.00 C ATOM 971 OD1 ASN A 59 5.874 -9.580 4.122 1.00 0.00 O ATOM 972 ND2 ASN A 59 6.507 -9.695 6.207 1.00 0.00 N ATOM 0 H ASN A 59 6.120 -5.156 5.675 1.00 0.00 H new ATOM 0 HA ASN A 59 4.413 -6.968 4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.866 -7.125 4.289 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.910 -7.168 6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.436 -10.712 6.194 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.800 -9.215 7.058 1.00 0.00 H new ATOM 979 N ARG A 60 4.040 -7.063 7.468 1.00 0.00 N ATOM 980 CA ARG A 60 3.220 -7.705 8.535 1.00 0.00 C ATOM 981 C ARG A 60 1.749 -7.753 8.113 1.00 0.00 C ATOM 982 O ARG A 60 0.950 -8.463 8.690 1.00 0.00 O ATOM 983 CB ARG A 60 3.397 -6.811 9.762 1.00 0.00 C ATOM 984 CG ARG A 60 2.986 -7.580 11.019 1.00 0.00 C ATOM 985 CD ARG A 60 4.209 -7.786 11.915 1.00 0.00 C ATOM 986 NE ARG A 60 3.655 -7.984 13.283 1.00 0.00 N ATOM 987 CZ ARG A 60 3.130 -9.131 13.617 1.00 0.00 C ATOM 988 NH1 ARG A 60 3.089 -10.108 12.752 1.00 0.00 N ATOM 989 NH2 ARG A 60 2.645 -9.302 14.816 1.00 0.00 N ATOM 0 H ARG A 60 4.546 -6.225 7.754 1.00 0.00 H new ATOM 0 HA ARG A 60 3.528 -8.732 8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.435 -6.489 9.843 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.791 -5.911 9.659 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.215 -7.030 11.559 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.557 -8.544 10.744 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.791 -8.651 11.596 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.874 -6.923 11.880 1.00 0.00 H new ATOM 0 HE ARG A 60 3.686 -7.222 13.960 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.468 -9.975 11.814 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.678 -11.004 13.014 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.676 -8.539 15.492 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.235 -10.199 15.077 1.00 0.00 H new ATOM 1003 N LEU A 61 1.384 -7.001 7.110 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.035 -7.004 6.652 1.00 0.00 C ATOM 1005 C LEU A 61 -0.171 -7.807 5.356 1.00 0.00 C ATOM 1006 O LEU A 61 -0.719 -8.892 5.342 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.378 -5.533 6.413 1.00 0.00 C ATOM 1008 CG LEU A 61 -1.805 -5.259 6.891 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -1.770 -4.729 8.326 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -2.455 -4.215 5.979 1.00 0.00 C ATOM 0 H LEU A 61 2.007 -6.385 6.588 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.703 -7.464 7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.325 -4.893 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.286 -5.294 5.353 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.383 -6.183 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.787 -4.534 8.667 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.305 -5.470 8.976 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.193 -3.805 8.359 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.472 -4.018 6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.876 -3.292 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.480 -4.590 4.956 1.00 0.00 H new ATOM 1022 N THR A 62 0.322 -7.284 4.266 1.00 0.00 N ATOM 1023 CA THR A 62 0.219 -8.022 2.974 1.00 0.00 C ATOM 1024 C THR A 62 1.434 -7.719 2.092 1.00 0.00 C ATOM 1025 O THR A 62 2.045 -6.674 2.197 1.00 0.00 O ATOM 1026 CB THR A 62 -1.067 -7.506 2.322 1.00 0.00 C ATOM 1027 OG1 THR A 62 -1.583 -8.501 1.449 1.00 0.00 O ATOM 1028 CG2 THR A 62 -0.772 -6.232 1.526 1.00 0.00 C ATOM 0 H THR A 62 0.791 -6.380 4.214 1.00 0.00 H new ATOM 0 HA THR A 62 0.195 -9.102 3.116 1.00 0.00 H new ATOM 0 HB THR A 62 -1.799 -7.282 3.097 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.559 -8.532 1.529 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.691 -5.870 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.377 -5.468 2.195 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.038 -6.449 0.750 1.00 0.00 H new ATOM 1036 N THR A 63 1.784 -8.624 1.220 1.00 0.00 N ATOM 1037 CA THR A 63 2.955 -8.388 0.328 1.00 0.00 C ATOM 1038 C THR A 63 2.552 -8.593 -1.133 1.00 0.00 C ATOM 1039 O THR A 63 3.340 -8.403 -2.038 1.00 0.00 O ATOM 1040 CB THR A 63 3.997 -9.425 0.751 1.00 0.00 C ATOM 1041 OG1 THR A 63 3.410 -10.339 1.668 1.00 0.00 O ATOM 1042 CG2 THR A 63 5.179 -8.720 1.415 1.00 0.00 C ATOM 0 H THR A 63 1.310 -9.517 1.086 1.00 0.00 H new ATOM 0 HA THR A 63 3.340 -7.372 0.412 1.00 0.00 H new ATOM 0 HB THR A 63 4.347 -9.968 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.076 -11.005 1.938 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.921 -9.459 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.629 -8.021 0.710 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.832 -8.176 2.293 1.00 0.00 H new ATOM 1050 N ASP A 64 1.328 -8.976 -1.371 1.00 0.00 N ATOM 1051 CA ASP A 64 0.871 -9.191 -2.773 1.00 0.00 C ATOM 1052 C ASP A 64 0.952 -7.881 -3.559 1.00 0.00 C ATOM 1053 O ASP A 64 0.118 -7.008 -3.417 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.581 -9.655 -2.650 1.00 0.00 C ATOM 1055 CG ASP A 64 -0.640 -11.180 -2.739 1.00 0.00 C ATOM 1056 OD1 ASP A 64 0.277 -11.757 -3.299 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -1.602 -11.746 -2.246 1.00 0.00 O ATOM 0 H ASP A 64 0.623 -9.150 -0.654 1.00 0.00 H new ATOM 0 HA ASP A 64 1.486 -9.918 -3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.002 -9.319 -1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.184 -9.211 -3.442 1.00 0.00 H new ATOM 1062 N PHE A 65 1.952 -7.733 -4.383 1.00 0.00 N ATOM 1063 CA PHE A 65 2.090 -6.477 -5.175 1.00 0.00 C ATOM 1064 C PHE A 65 0.725 -6.033 -5.712 1.00 0.00 C ATOM 1065 O PHE A 65 0.404 -4.863 -5.718 1.00 0.00 O ATOM 1066 CB PHE A 65 3.029 -6.831 -6.328 1.00 0.00 C ATOM 1067 CG PHE A 65 4.461 -6.821 -5.845 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.903 -5.823 -4.964 1.00 0.00 C ATOM 1069 CD2 PHE A 65 5.351 -7.809 -6.281 1.00 0.00 C ATOM 1070 CE1 PHE A 65 6.231 -5.817 -4.524 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.679 -7.802 -5.841 1.00 0.00 C ATOM 1072 CZ PHE A 65 7.120 -6.806 -4.962 1.00 0.00 C ATOM 0 H PHE A 65 2.681 -8.428 -4.543 1.00 0.00 H new ATOM 0 HA PHE A 65 2.477 -5.655 -4.573 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.777 -7.814 -6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.905 -6.117 -7.142 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.218 -5.059 -4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.012 -8.579 -6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.571 -5.048 -3.846 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.364 -8.565 -6.180 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.145 -6.800 -4.622 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.078 -6.954 -6.168 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.417 -6.571 -6.707 1.00 0.00 C ATOM 1084 C ASN A 66 -2.348 -6.140 -5.567 1.00 0.00 C ATOM 1085 O ASN A 66 -3.074 -5.173 -5.678 1.00 0.00 O ATOM 1086 CB ASN A 66 -1.949 -7.837 -7.380 1.00 0.00 C ATOM 1087 CG ASN A 66 -1.653 -7.781 -8.879 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -1.513 -6.713 -9.443 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -1.551 -8.892 -9.554 1.00 0.00 N ATOM 0 H ASN A 66 0.132 -7.952 -6.192 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.356 -5.732 -7.400 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.484 -8.719 -6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.023 -7.926 -7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.354 -8.865 -10.554 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.668 -9.788 -9.082 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.331 -6.852 -4.474 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.214 -6.483 -3.329 1.00 0.00 C ATOM 1098 C VAL A 67 -2.716 -5.195 -2.666 1.00 0.00 C ATOM 1099 O VAL A 67 -3.490 -4.331 -2.304 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.117 -7.658 -2.357 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -3.701 -7.252 -1.004 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -3.904 -8.846 -2.915 1.00 0.00 C ATOM 0 H VAL A 67 -1.745 -7.673 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.241 -6.299 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.071 -7.939 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.631 -8.091 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.142 -6.405 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.747 -6.970 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.836 -9.685 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.949 -8.563 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.488 -9.137 -3.880 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.428 -5.066 -2.500 1.00 0.00 N ATOM 1113 CA ILE A 68 -0.875 -3.840 -1.855 1.00 0.00 C ATOM 1114 C ILE A 68 -1.096 -2.617 -2.749 1.00 0.00 C ATOM 1115 O ILE A 68 -1.532 -1.576 -2.298 1.00 0.00 O ATOM 1116 CB ILE A 68 0.618 -4.132 -1.691 1.00 0.00 C ATOM 1117 CG1 ILE A 68 1.221 -3.162 -0.667 1.00 0.00 C ATOM 1118 CG2 ILE A 68 1.331 -3.982 -3.037 1.00 0.00 C ATOM 1119 CD1 ILE A 68 2.338 -2.343 -1.318 1.00 0.00 C ATOM 0 H ILE A 68 -0.733 -5.757 -2.783 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.357 -3.616 -0.903 1.00 0.00 H new ATOM 0 HB ILE A 68 0.748 -5.155 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.447 -2.497 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.615 -3.717 0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.393 -4.192 -2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.905 -4.683 -3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.203 -2.964 -3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.761 -1.657 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.118 -3.014 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.932 -1.775 -2.155 1.00 0.00 H new ATOM 1131 N VAL A 69 -0.801 -2.737 -4.011 1.00 0.00 N ATOM 1132 CA VAL A 69 -0.994 -1.582 -4.937 1.00 0.00 C ATOM 1133 C VAL A 69 -2.482 -1.242 -5.059 1.00 0.00 C ATOM 1134 O VAL A 69 -2.855 -0.095 -5.205 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.442 -2.044 -6.286 1.00 0.00 C ATOM 1136 CG1 VAL A 69 1.030 -2.430 -6.133 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -1.240 -3.252 -6.778 1.00 0.00 C ATOM 0 H VAL A 69 -0.434 -3.584 -4.445 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.488 -0.685 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.529 -1.233 -7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.422 -2.759 -7.095 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.598 -1.567 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.121 -3.239 -5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.846 -3.581 -7.740 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.156 -4.063 -6.055 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.288 -2.974 -6.891 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.335 -2.229 -5.007 1.00 0.00 N ATOM 1148 CA GLU A 70 -4.795 -1.957 -5.128 1.00 0.00 C ATOM 1149 C GLU A 70 -5.245 -0.985 -4.035 1.00 0.00 C ATOM 1150 O GLU A 70 -6.066 -0.118 -4.265 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.471 -3.317 -4.946 1.00 0.00 C ATOM 1152 CG GLU A 70 -6.483 -3.539 -6.070 1.00 0.00 C ATOM 1153 CD GLU A 70 -6.308 -4.946 -6.645 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -5.707 -5.768 -5.972 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -6.776 -5.177 -7.748 1.00 0.00 O ATOM 0 H GLU A 70 -3.084 -3.210 -4.886 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.050 -1.500 -6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.723 -4.110 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.971 -3.360 -3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.497 -3.413 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.341 -2.794 -6.853 1.00 0.00 H new ATOM 1162 N ALA A 71 -4.716 -1.115 -2.850 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.119 -0.189 -1.753 1.00 0.00 C ATOM 1164 C ALA A 71 -4.611 1.224 -2.048 1.00 0.00 C ATOM 1165 O ALA A 71 -5.263 2.204 -1.748 1.00 0.00 O ATOM 1166 CB ALA A 71 -4.455 -0.746 -0.492 1.00 0.00 C ATOM 0 H ALA A 71 -4.024 -1.820 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.202 -0.125 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.706 -0.115 0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.811 -1.760 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.373 -0.760 -0.626 1.00 0.00 H new ATOM 1172 N LEU A 72 -3.451 1.336 -2.637 1.00 0.00 N ATOM 1173 CA LEU A 72 -2.903 2.686 -2.954 1.00 0.00 C ATOM 1174 C LEU A 72 -3.652 3.298 -4.141 1.00 0.00 C ATOM 1175 O LEU A 72 -3.832 4.497 -4.223 1.00 0.00 O ATOM 1176 CB LEU A 72 -1.436 2.444 -3.314 1.00 0.00 C ATOM 1177 CG LEU A 72 -0.786 1.556 -2.251 1.00 0.00 C ATOM 1178 CD1 LEU A 72 0.734 1.589 -2.419 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -1.155 2.073 -0.859 1.00 0.00 C ATOM 0 H LEU A 72 -2.860 0.552 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.010 3.380 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.365 1.969 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.906 3.394 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.143 0.532 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.198 0.957 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.999 1.221 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.091 2.613 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.692 1.441 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.798 3.097 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.238 2.051 -0.738 1.00 0.00 H new ATOM 1191 N SER A 73 -4.090 2.483 -5.061 1.00 0.00 N ATOM 1192 CA SER A 73 -4.827 3.021 -6.242 1.00 0.00 C ATOM 1193 C SER A 73 -5.975 3.922 -5.785 1.00 0.00 C ATOM 1194 O SER A 73 -6.429 4.782 -6.514 1.00 0.00 O ATOM 1195 CB SER A 73 -5.368 1.788 -6.965 1.00 0.00 C ATOM 1196 OG SER A 73 -6.436 2.177 -7.819 1.00 0.00 O ATOM 0 H SER A 73 -3.970 1.470 -5.047 1.00 0.00 H new ATOM 0 HA SER A 73 -4.189 3.625 -6.887 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.576 1.316 -7.546 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.715 1.051 -6.241 1.00 0.00 H new ATOM 0 HG SER A 73 -6.785 1.389 -8.286 1.00 0.00 H new ATOM 1301 N MET A 80 1.133 10.806 -1.038 1.00 0.00 N ATOM 1302 CA MET A 80 1.656 9.587 -1.720 1.00 0.00 C ATOM 1303 C MET A 80 1.462 9.705 -3.234 1.00 0.00 C ATOM 1304 O MET A 80 0.558 10.367 -3.704 1.00 0.00 O ATOM 1305 CB MET A 80 0.826 8.432 -1.159 1.00 0.00 C ATOM 1306 CG MET A 80 1.745 7.256 -0.825 1.00 0.00 C ATOM 1307 SD MET A 80 2.984 7.785 0.384 1.00 0.00 S ATOM 1308 CE MET A 80 4.373 7.936 -0.765 1.00 0.00 C ATOM 0 HA MET A 80 2.722 9.442 -1.548 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.292 8.755 -0.265 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.074 8.124 -1.886 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.162 6.427 -0.425 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.235 6.895 -1.729 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.978 8.801 -0.492 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.985 7.035 -0.717 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.994 8.064 -1.779 1.00 0.00 H new ATOM 1318 N GLU A 81 2.305 9.068 -4.000 1.00 0.00 N ATOM 1319 CA GLU A 81 2.167 9.144 -5.483 1.00 0.00 C ATOM 1320 C GLU A 81 2.683 7.855 -6.128 1.00 0.00 C ATOM 1321 O GLU A 81 3.773 7.401 -5.842 1.00 0.00 O ATOM 1322 CB GLU A 81 3.030 10.336 -5.900 1.00 0.00 C ATOM 1323 CG GLU A 81 2.281 11.171 -6.939 1.00 0.00 C ATOM 1324 CD GLU A 81 1.005 11.739 -6.315 1.00 0.00 C ATOM 1325 OE1 GLU A 81 1.114 12.673 -5.538 1.00 0.00 O ATOM 1326 OE2 GLU A 81 -0.059 11.229 -6.625 1.00 0.00 O ATOM 0 H GLU A 81 3.082 8.499 -3.664 1.00 0.00 H new ATOM 0 HA GLU A 81 1.130 9.263 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.268 10.948 -5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.976 9.986 -6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.916 11.982 -7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.033 10.557 -7.804 1.00 0.00 H new ATOM 1333 N ILE A 82 1.908 7.262 -6.994 1.00 0.00 N ATOM 1334 CA ILE A 82 2.356 6.004 -7.656 1.00 0.00 C ATOM 1335 C ILE A 82 2.410 6.193 -9.175 1.00 0.00 C ATOM 1336 O ILE A 82 1.586 6.872 -9.754 1.00 0.00 O ATOM 1337 CB ILE A 82 1.301 4.963 -7.282 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.999 5.060 -5.785 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.827 3.564 -7.603 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.263 5.898 -5.572 1.00 0.00 C ATOM 0 H ILE A 82 0.984 7.594 -7.272 1.00 0.00 H new ATOM 0 HA ILE A 82 3.355 5.705 -7.339 1.00 0.00 H new ATOM 0 HB ILE A 82 0.390 5.149 -7.852 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.862 4.063 -5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.841 5.513 -5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.074 2.822 -7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.045 3.493 -8.669 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.738 3.378 -7.033 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.478 5.967 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.108 6.898 -5.977 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.103 5.427 -6.082 1.00 0.00 H new ATOM 1352 N SER A 83 3.374 5.598 -9.822 1.00 0.00 N ATOM 1353 CA SER A 83 3.482 5.746 -11.303 1.00 0.00 C ATOM 1354 C SER A 83 2.159 5.367 -11.973 1.00 0.00 C ATOM 1355 O SER A 83 1.164 5.126 -11.317 1.00 0.00 O ATOM 1356 CB SER A 83 4.589 4.778 -11.719 1.00 0.00 C ATOM 1357 OG SER A 83 4.298 4.260 -13.010 1.00 0.00 O ATOM 0 H SER A 83 4.092 5.016 -9.390 1.00 0.00 H new ATOM 0 HA SER A 83 3.704 6.771 -11.599 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.551 5.290 -11.728 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.667 3.965 -10.997 1.00 0.00 H new ATOM 0 HG SER A 83 5.007 3.640 -13.281 1.00 0.00 H new ATOM 1363 N GLU A 84 2.140 5.311 -13.277 1.00 0.00 N ATOM 1364 CA GLU A 84 0.884 4.949 -13.993 1.00 0.00 C ATOM 1365 C GLU A 84 0.720 3.427 -14.046 1.00 0.00 C ATOM 1366 O GLU A 84 -0.336 2.919 -14.368 1.00 0.00 O ATOM 1367 CB GLU A 84 1.056 5.518 -15.402 1.00 0.00 C ATOM 1368 CG GLU A 84 0.199 6.776 -15.553 1.00 0.00 C ATOM 1369 CD GLU A 84 -1.278 6.383 -15.611 1.00 0.00 C ATOM 1370 OE1 GLU A 84 -1.620 5.355 -15.048 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -2.043 7.115 -16.218 1.00 0.00 O ATOM 0 H GLU A 84 2.942 5.501 -13.878 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.002 5.345 -13.496 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.104 5.755 -15.584 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.764 4.775 -16.144 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.374 7.451 -14.715 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.479 7.313 -16.459 1.00 0.00 H new ATOM 1378 N ASP A 85 1.757 2.694 -13.740 1.00 0.00 N ATOM 1379 CA ASP A 85 1.654 1.206 -13.782 1.00 0.00 C ATOM 1380 C ASP A 85 1.188 0.662 -12.429 1.00 0.00 C ATOM 1381 O ASP A 85 0.826 -0.492 -12.306 1.00 0.00 O ATOM 1382 CB ASP A 85 3.070 0.721 -14.095 1.00 0.00 C ATOM 1383 CG ASP A 85 3.011 -0.707 -14.640 1.00 0.00 C ATOM 1384 OD1 ASP A 85 1.915 -1.230 -14.758 1.00 0.00 O ATOM 1385 OD2 ASP A 85 4.063 -1.254 -14.927 1.00 0.00 O ATOM 0 H ASP A 85 2.668 3.060 -13.464 1.00 0.00 H new ATOM 0 HA ASP A 85 0.930 0.866 -14.523 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.539 1.381 -14.825 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.684 0.753 -13.195 1.00 0.00 H new ATOM 1390 N LYS A 86 1.193 1.480 -11.412 1.00 0.00 N ATOM 1391 CA LYS A 86 0.751 1.003 -10.070 1.00 0.00 C ATOM 1392 C LYS A 86 1.739 -0.030 -9.522 1.00 0.00 C ATOM 1393 O LYS A 86 1.354 -1.052 -8.990 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.618 0.361 -10.310 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.648 0.987 -9.369 1.00 0.00 C ATOM 1396 CD LYS A 86 -2.665 -0.074 -8.945 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.999 0.186 -9.648 1.00 0.00 C ATOM 1398 NZ LYS A 86 -3.987 -0.709 -10.839 1.00 0.00 N ATOM 0 H LYS A 86 1.484 2.457 -11.452 1.00 0.00 H new ATOM 0 HA LYS A 86 0.701 1.811 -9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.922 0.505 -11.347 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.562 -0.714 -10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.151 1.400 -8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.155 1.814 -9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.296 -1.068 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.801 -0.051 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.841 -0.039 -8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.094 1.232 -9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.871 -0.588 -11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.179 -0.467 -11.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.903 -1.698 -10.529 1.00 0.00 H new ATOM 1412 N THR A 87 3.013 0.228 -9.650 1.00 0.00 N ATOM 1413 CA THR A 87 4.024 -0.742 -9.137 1.00 0.00 C ATOM 1414 C THR A 87 5.164 -0.002 -8.431 1.00 0.00 C ATOM 1415 O THR A 87 6.269 -0.496 -8.331 1.00 0.00 O ATOM 1416 CB THR A 87 4.544 -1.464 -10.381 1.00 0.00 C ATOM 1417 OG1 THR A 87 5.472 -2.466 -9.991 1.00 0.00 O ATOM 1418 CG2 THR A 87 5.233 -0.459 -11.306 1.00 0.00 C ATOM 0 H THR A 87 3.397 1.066 -10.086 1.00 0.00 H new ATOM 0 HA THR A 87 3.599 -1.433 -8.409 1.00 0.00 H new ATOM 0 HB THR A 87 3.710 -1.926 -10.909 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.046 -2.120 -9.276 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.603 -0.975 -12.192 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.520 0.309 -11.605 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.068 0.006 -10.781 1.00 0.00 H new ATOM 1426 N LYS A 88 4.906 1.179 -7.942 1.00 0.00 N ATOM 1427 CA LYS A 88 5.978 1.948 -7.246 1.00 0.00 C ATOM 1428 C LYS A 88 5.361 3.046 -6.372 1.00 0.00 C ATOM 1429 O LYS A 88 4.261 3.499 -6.614 1.00 0.00 O ATOM 1430 CB LYS A 88 6.831 2.549 -8.364 1.00 0.00 C ATOM 1431 CG LYS A 88 6.195 3.848 -8.862 1.00 0.00 C ATOM 1432 CD LYS A 88 7.099 4.487 -9.919 1.00 0.00 C ATOM 1433 CE LYS A 88 7.295 3.513 -11.082 1.00 0.00 C ATOM 1434 NZ LYS A 88 8.149 4.246 -12.057 1.00 0.00 N ATOM 0 H LYS A 88 4.000 1.645 -7.994 1.00 0.00 H new ATOM 0 HA LYS A 88 6.573 1.321 -6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.839 2.744 -7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.921 1.839 -9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.211 3.645 -9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.049 4.536 -8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.655 5.415 -10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.063 4.744 -9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.776 2.593 -10.750 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.340 3.232 -11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.328 3.642 -12.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.663 5.114 -12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.053 4.495 -11.608 1.00 0.00 H new ATOM 1448 N ILE A 89 6.063 3.476 -5.359 1.00 0.00 N ATOM 1449 CA ILE A 89 5.520 4.543 -4.473 1.00 0.00 C ATOM 1450 C ILE A 89 6.608 5.574 -4.160 1.00 0.00 C ATOM 1451 O ILE A 89 7.767 5.243 -4.010 1.00 0.00 O ATOM 1452 CB ILE A 89 5.081 3.815 -3.203 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.311 3.479 -2.355 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.359 2.524 -3.586 1.00 0.00 C ATOM 1455 CD1 ILE A 89 5.869 2.769 -1.074 1.00 0.00 C ATOM 0 H ILE A 89 6.990 3.134 -5.107 1.00 0.00 H new ATOM 0 HA ILE A 89 4.695 5.087 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 89 4.410 4.454 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.992 2.843 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.856 4.390 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.044 2.001 -2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.484 2.762 -4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.033 1.886 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.744 2.530 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.204 3.421 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.343 1.850 -1.331 1.00 0.00 H new ATOM 1467 N ARG A 90 6.242 6.820 -4.068 1.00 0.00 N ATOM 1468 CA ARG A 90 7.247 7.880 -3.772 1.00 0.00 C ATOM 1469 C ARG A 90 6.582 9.035 -3.024 1.00 0.00 C ATOM 1470 O ARG A 90 5.383 9.219 -3.096 1.00 0.00 O ATOM 1471 CB ARG A 90 7.754 8.341 -5.140 1.00 0.00 C ATOM 1472 CG ARG A 90 6.689 9.204 -5.819 1.00 0.00 C ATOM 1473 CD ARG A 90 7.287 9.871 -7.057 1.00 0.00 C ATOM 1474 NE ARG A 90 6.324 10.947 -7.420 1.00 0.00 N ATOM 1475 CZ ARG A 90 6.649 11.844 -8.310 1.00 0.00 C ATOM 1476 NH1 ARG A 90 7.821 11.801 -8.884 1.00 0.00 N ATOM 1477 NH2 ARG A 90 5.803 12.786 -8.626 1.00 0.00 N ATOM 0 H ARG A 90 5.285 7.153 -4.185 1.00 0.00 H new ATOM 0 HA ARG A 90 8.060 7.519 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.677 8.909 -5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.987 7.477 -5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.834 8.590 -6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.323 9.961 -5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.275 10.281 -6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.406 9.156 -7.872 1.00 0.00 H new ATOM 0 HE ARG A 90 5.408 10.983 -6.972 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.483 11.066 -8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.074 12.503 -9.580 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.888 12.821 -8.177 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.057 13.487 -9.322 1.00 0.00 H new ATOM 1491 N ARG A 91 7.344 9.833 -2.329 1.00 0.00 N ATOM 1492 CA ARG A 91 6.739 10.988 -1.610 1.00 0.00 C ATOM 1493 C ARG A 91 6.347 12.054 -2.632 1.00 0.00 C ATOM 1494 O ARG A 91 7.093 12.345 -3.545 1.00 0.00 O ATOM 1495 CB ARG A 91 7.839 11.507 -0.683 1.00 0.00 C ATOM 1496 CG ARG A 91 7.228 12.439 0.365 1.00 0.00 C ATOM 1497 CD ARG A 91 7.379 13.894 -0.088 1.00 0.00 C ATOM 1498 NE ARG A 91 8.839 14.177 0.001 1.00 0.00 N ATOM 1499 CZ ARG A 91 9.580 14.178 -1.077 1.00 0.00 C ATOM 1500 NH1 ARG A 91 9.053 13.921 -2.244 1.00 0.00 N ATOM 1501 NH2 ARG A 91 10.856 14.435 -0.985 1.00 0.00 N ATOM 0 H ARG A 91 8.354 9.736 -2.228 1.00 0.00 H new ATOM 0 HA ARG A 91 5.844 10.719 -1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.341 10.672 -0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.595 12.039 -1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.174 12.200 0.508 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.721 12.294 1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.012 14.031 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.807 14.567 0.550 1.00 0.00 H new ATOM 0 HE ARG A 91 9.263 14.371 0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.056 13.717 -2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.638 13.924 -3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.272 14.634 -0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.438 14.437 -1.823 1.00 0.00 H new ATOM 1515 N SER A 92 5.185 12.630 -2.508 1.00 0.00 N ATOM 1516 CA SER A 92 4.769 13.657 -3.498 1.00 0.00 C ATOM 1517 C SER A 92 5.689 14.873 -3.415 1.00 0.00 C ATOM 1518 O SER A 92 5.631 15.634 -2.469 1.00 0.00 O ATOM 1519 CB SER A 92 3.342 14.035 -3.100 1.00 0.00 C ATOM 1520 OG SER A 92 2.930 15.169 -3.850 1.00 0.00 O ATOM 0 H SER A 92 4.510 12.435 -1.769 1.00 0.00 H new ATOM 0 HA SER A 92 4.822 13.289 -4.523 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.667 13.199 -3.283 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.296 14.254 -2.033 1.00 0.00 H new ATOM 0 HG SER A 92 2.015 15.413 -3.598 1.00 0.00 H new ATOM 1526 N PRO A 93 6.506 15.022 -4.423 1.00 0.00 N ATOM 1527 CA PRO A 93 7.445 16.165 -4.473 1.00 0.00 C ATOM 1528 C PRO A 93 6.641 17.461 -4.476 1.00 0.00 C ATOM 1529 O PRO A 93 7.098 18.497 -4.033 1.00 0.00 O ATOM 1530 CB PRO A 93 8.187 15.980 -5.798 1.00 0.00 C ATOM 1531 CG PRO A 93 7.344 15.032 -6.589 1.00 0.00 C ATOM 1532 CD PRO A 93 6.629 14.158 -5.598 1.00 0.00 C ATOM 0 HA PRO A 93 8.131 16.209 -3.627 1.00 0.00 H new ATOM 0 HB2 PRO A 93 8.306 16.930 -6.319 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.187 15.577 -5.637 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.632 15.574 -7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.961 14.433 -7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.654 13.841 -5.969 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.195 13.253 -5.376 1.00 0.00 H new ATOM 1540 N SER A 94 5.434 17.400 -4.965 1.00 0.00 N ATOM 1541 CA SER A 94 4.579 18.614 -4.991 1.00 0.00 C ATOM 1542 C SER A 94 4.314 19.080 -3.561 1.00 0.00 C ATOM 1543 O SER A 94 3.915 20.204 -3.330 1.00 0.00 O ATOM 1544 CB SER A 94 3.281 18.173 -5.665 1.00 0.00 C ATOM 1545 OG SER A 94 3.579 17.619 -6.940 1.00 0.00 O ATOM 0 H SER A 94 5.004 16.558 -5.348 1.00 0.00 H new ATOM 0 HA SER A 94 5.043 19.445 -5.523 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.768 17.436 -5.046 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.607 19.023 -5.773 1.00 0.00 H new ATOM 0 HG SER A 94 2.748 17.333 -7.375 1.00 0.00 H new ATOM 1551 N LYS A 95 4.550 18.232 -2.592 1.00 0.00 N ATOM 1552 CA LYS A 95 4.328 18.640 -1.177 1.00 0.00 C ATOM 1553 C LYS A 95 5.654 18.566 -0.411 1.00 0.00 C ATOM 1554 O LYS A 95 6.291 17.532 -0.381 1.00 0.00 O ATOM 1555 CB LYS A 95 3.326 17.628 -0.621 1.00 0.00 C ATOM 1556 CG LYS A 95 1.916 17.993 -1.090 1.00 0.00 C ATOM 1557 CD LYS A 95 1.619 19.449 -0.728 1.00 0.00 C ATOM 1558 CE LYS A 95 0.106 19.682 -0.743 1.00 0.00 C ATOM 1559 NZ LYS A 95 -0.058 21.147 -0.537 1.00 0.00 N ATOM 0 H LYS A 95 4.886 17.278 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 95 3.956 19.661 -1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.584 16.624 -0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.368 17.620 0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.831 17.850 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.184 17.334 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.023 19.679 0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.107 20.118 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.333 19.364 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.389 19.114 0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.070 21.386 -0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.364 21.419 0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.418 21.661 -1.306 1.00 0.00 H new ATOM 1573 N PRO A 96 6.030 19.667 0.176 1.00 0.00 N ATOM 1574 CA PRO A 96 7.299 19.724 0.939 1.00 0.00 C ATOM 1575 C PRO A 96 7.223 18.868 2.203 1.00 0.00 C ATOM 1576 O PRO A 96 6.185 18.727 2.818 1.00 0.00 O ATOM 1577 CB PRO A 96 7.457 21.190 1.306 1.00 0.00 C ATOM 1578 CG PRO A 96 6.087 21.784 1.182 1.00 0.00 C ATOM 1579 CD PRO A 96 5.322 20.949 0.186 1.00 0.00 C ATOM 0 HA PRO A 96 8.139 19.341 0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.843 21.301 2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.162 21.687 0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.582 21.788 2.148 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.147 22.820 0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.281 20.827 0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.319 21.410 -0.802 1.00 0.00 H new ATOM 1587 N LEU A 97 8.334 18.325 2.608 1.00 0.00 N ATOM 1588 CA LEU A 97 8.371 17.507 3.845 1.00 0.00 C ATOM 1589 C LEU A 97 9.391 18.120 4.791 1.00 0.00 C ATOM 1590 O LEU A 97 10.559 18.225 4.476 1.00 0.00 O ATOM 1591 CB LEU A 97 8.754 16.084 3.429 1.00 0.00 C ATOM 1592 CG LEU A 97 10.256 15.849 3.615 1.00 0.00 C ATOM 1593 CD1 LEU A 97 10.562 15.649 5.101 1.00 0.00 C ATOM 1594 CD2 LEU A 97 10.677 14.596 2.841 1.00 0.00 C ATOM 0 H LEU A 97 9.229 18.415 2.127 1.00 0.00 H new ATOM 0 HA LEU A 97 7.412 17.480 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.192 15.363 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.482 15.919 2.386 1.00 0.00 H new ATOM 0 HG LEU A 97 10.805 16.713 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 97 11.631 15.482 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.262 16.537 5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 97 10.011 14.785 5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.746 14.429 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.126 13.734 3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.459 14.732 1.782 1.00 0.00 H new