USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 21 SER OG : rot 32:sc= 0.00512 USER MOD Set 1.2: A 23 ASN :FLIP amide:sc= 0.54 F(o=-0.44,f=0.54) USER MOD Single : A 15 THR OG1 : rot 28:sc= 0.0801 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -3.25! USER MOD Single : A 26 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.045) USER MOD Single : A 27 HIS :FLIP no HE2:sc= -0.313 F(o=-1.6,f=-0.31) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 72:sc= -0.771 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0837 K(o=-0.084,f=-1.3) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -106:sc= 0.0374 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0689 K(o=-0.069,f=-2.6!) USER MOD Single : A 47 GLN : amide:sc= -0.0922 X(o=-0.092,f=0) USER MOD Single : A 49 THR OG1 : rot -160:sc= -0.997 USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= -0.0412 (180deg=-1.12) USER MOD Single : A 63 THR OG1 : rot 21:sc= 0.214 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot -63:sc= 1.28 USER MOD Single : A 74 MET CE :methyl -103:sc= -0.561 (180deg=-3.86!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 36:sc= -3.48! USER MOD Single : A 82 SER OG : rot 50:sc= -3.12! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -41:sc= 0.028 USER MOD Single : A 93 SER OG : rot 135:sc= 1.19 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -84:sc= 0.338! USER MOD Single : A 99 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -9.126 7.360 11.162 1.00 0.00 N ATOM 169 CA THR A 15 -7.987 7.110 10.289 1.00 0.00 C ATOM 170 C THR A 15 -7.216 5.872 10.731 1.00 0.00 C ATOM 171 O THR A 15 -6.884 5.721 11.907 1.00 0.00 O ATOM 172 CB THR A 15 -7.027 8.315 10.258 1.00 0.00 C ATOM 173 OG1 THR A 15 -7.730 9.490 9.838 1.00 0.00 O ATOM 174 CG2 THR A 15 -5.860 8.053 9.319 1.00 0.00 C ATOM 0 HA THR A 15 -8.387 6.947 9.288 1.00 0.00 H new ATOM 0 HB THR A 15 -6.636 8.466 11.264 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.674 9.414 10.090 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.196 8.917 9.314 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.310 7.175 9.658 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.236 7.878 8.311 1.00 0.00 H new ATOM 182 N LYS A 16 -6.932 4.987 9.782 1.00 0.00 N ATOM 183 CA LYS A 16 -6.197 3.761 10.073 1.00 0.00 C ATOM 184 C LYS A 16 -4.702 3.956 9.843 1.00 0.00 C ATOM 185 O LYS A 16 -4.276 4.976 9.304 1.00 0.00 O ATOM 186 CB LYS A 16 -6.713 2.614 9.201 1.00 0.00 C ATOM 187 CG LYS A 16 -8.177 2.282 9.436 1.00 0.00 C ATOM 188 CD LYS A 16 -8.375 1.530 10.741 1.00 0.00 C ATOM 189 CE LYS A 16 -9.754 1.789 11.329 1.00 0.00 C ATOM 190 NZ LYS A 16 -10.824 1.094 10.562 1.00 0.00 N ATOM 0 H LYS A 16 -7.200 5.096 8.804 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.356 3.511 11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.572 2.874 8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.112 1.725 9.392 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.762 3.202 9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.552 1.681 8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.246 0.461 10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.610 1.833 11.456 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.775 1.454 12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.950 2.861 11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.748 1.296 10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.821 1.431 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.651 0.069 10.577 1.00 0.00 H new ATOM 204 N GLU A 17 -3.911 2.969 10.255 1.00 0.00 N ATOM 205 CA GLU A 17 -2.464 3.033 10.092 1.00 0.00 C ATOM 206 C GLU A 17 -1.884 1.647 9.828 1.00 0.00 C ATOM 207 O GLU A 17 -2.285 0.664 10.453 1.00 0.00 O ATOM 208 CB GLU A 17 -1.815 3.640 11.338 1.00 0.00 C ATOM 209 CG GLU A 17 -2.326 5.031 11.675 1.00 0.00 C ATOM 210 CD GLU A 17 -3.558 5.001 12.559 1.00 0.00 C ATOM 211 OE1 GLU A 17 -3.724 4.018 13.311 1.00 0.00 O ATOM 212 OE2 GLU A 17 -4.355 5.961 12.500 1.00 0.00 O ATOM 0 H GLU A 17 -4.248 2.117 10.703 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.249 3.668 9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.993 2.981 12.188 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.736 3.685 11.190 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.537 5.592 12.176 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.558 5.562 10.752 1.00 0.00 H new ATOM 219 N LEU A 18 -0.939 1.575 8.897 1.00 0.00 N ATOM 220 CA LEU A 18 -0.303 0.309 8.548 1.00 0.00 C ATOM 221 C LEU A 18 1.212 0.466 8.464 1.00 0.00 C ATOM 222 O LEU A 18 1.718 1.329 7.747 1.00 0.00 O ATOM 223 CB LEU A 18 -0.849 -0.208 7.216 1.00 0.00 C ATOM 224 CG LEU A 18 -0.776 -1.720 7.002 1.00 0.00 C ATOM 225 CD1 LEU A 18 -1.915 -2.418 7.730 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.807 -2.051 5.517 1.00 0.00 C ATOM 0 H LEU A 18 -0.596 2.378 8.370 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.532 -0.413 9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.891 0.101 7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.303 0.280 6.409 1.00 0.00 H new ATOM 0 HG LEU A 18 0.166 -2.081 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.847 -3.493 7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.847 -2.209 8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.869 -2.053 7.349 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.754 -3.132 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.733 -1.676 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.044 -1.582 5.022 1.00 0.00 H new ATOM 238 N VAL A 19 1.930 -0.377 9.200 1.00 0.00 N ATOM 239 CA VAL A 19 3.388 -0.334 9.206 1.00 0.00 C ATOM 240 C VAL A 19 3.979 -1.734 9.076 1.00 0.00 C ATOM 241 O VAL A 19 3.587 -2.654 9.795 1.00 0.00 O ATOM 242 CB VAL A 19 3.925 0.321 10.492 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.446 0.297 10.508 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.404 1.744 10.622 1.00 0.00 C ATOM 0 H VAL A 19 1.526 -1.097 9.799 1.00 0.00 H new ATOM 0 HA VAL A 19 3.691 0.266 8.348 1.00 0.00 H new ATOM 0 HB VAL A 19 3.568 -0.252 11.348 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.808 0.764 11.424 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.794 -0.735 10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.828 0.845 9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.793 2.192 11.536 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.730 2.331 9.763 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.315 1.731 10.660 1.00 0.00 H new ATOM 254 N PHE A 20 4.924 -1.888 8.156 1.00 0.00 N ATOM 255 CA PHE A 20 5.570 -3.176 7.931 1.00 0.00 C ATOM 256 C PHE A 20 7.014 -2.989 7.476 1.00 0.00 C ATOM 257 O PHE A 20 7.501 -1.863 7.367 1.00 0.00 O ATOM 258 CB PHE A 20 4.795 -3.984 6.888 1.00 0.00 C ATOM 259 CG PHE A 20 4.367 -3.172 5.698 1.00 0.00 C ATOM 260 CD1 PHE A 20 3.198 -2.429 5.735 1.00 0.00 C ATOM 261 CD2 PHE A 20 5.133 -3.153 4.544 1.00 0.00 C ATOM 262 CE1 PHE A 20 2.802 -1.682 4.642 1.00 0.00 C ATOM 263 CE2 PHE A 20 4.742 -2.407 3.448 1.00 0.00 C ATOM 264 CZ PHE A 20 3.575 -1.670 3.497 1.00 0.00 C ATOM 0 H PHE A 20 5.260 -1.137 7.553 1.00 0.00 H new ATOM 0 HA PHE A 20 5.573 -3.722 8.874 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.415 -4.813 6.548 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.913 -4.418 7.358 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.590 -2.434 6.628 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.046 -3.728 4.500 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.888 -1.108 4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.348 -2.400 2.554 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.267 -1.086 2.642 1.00 0.00 H new ATOM 274 N SER A 21 7.694 -4.100 7.212 1.00 0.00 N ATOM 275 CA SER A 21 9.084 -4.059 6.773 1.00 0.00 C ATOM 276 C SER A 21 9.175 -4.107 5.250 1.00 0.00 C ATOM 277 O SER A 21 8.318 -4.689 4.585 1.00 0.00 O ATOM 278 CB SER A 21 9.866 -5.226 7.378 1.00 0.00 C ATOM 279 OG SER A 21 11.262 -5.051 7.201 1.00 0.00 O ATOM 0 H SER A 21 7.305 -5.039 7.294 1.00 0.00 H new ATOM 0 HA SER A 21 9.520 -3.121 7.116 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.638 -5.308 8.441 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.551 -6.160 6.912 1.00 0.00 H new ATOM 0 HG SER A 21 11.476 -4.095 7.217 1.00 0.00 H new ATOM 285 N SER A 22 10.219 -3.491 4.706 1.00 0.00 N ATOM 286 CA SER A 22 10.421 -3.458 3.263 1.00 0.00 C ATOM 287 C SER A 22 10.679 -4.860 2.719 1.00 0.00 C ATOM 288 O SER A 22 10.316 -5.175 1.586 1.00 0.00 O ATOM 289 CB SER A 22 11.592 -2.539 2.910 1.00 0.00 C ATOM 290 OG SER A 22 11.159 -1.199 2.753 1.00 0.00 O ATOM 0 H SER A 22 10.939 -3.008 5.243 1.00 0.00 H new ATOM 0 HA SER A 22 9.512 -3.069 2.803 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.348 -2.591 3.693 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.063 -2.883 1.989 1.00 0.00 H new ATOM 0 HG SER A 22 11.926 -0.631 2.529 1.00 0.00 H new ATOM 296 N ASN A 23 11.309 -5.698 3.536 1.00 0.00 N ATOM 297 CA ASN A 23 11.616 -7.067 3.138 1.00 0.00 C ATOM 298 C ASN A 23 10.455 -8.002 3.461 1.00 0.00 C ATOM 299 O ASN A 23 10.634 -9.025 4.124 1.00 0.00 O ATOM 300 CB ASN A 23 12.886 -7.551 3.840 1.00 0.00 C ATOM 301 CG ASN A 23 12.859 -7.285 5.333 1.00 0.00 C ATOM 302 OD1 ASN A 23 13.704 -6.367 5.786 1.00 0.00 O flip ATOM 303 ND2 ASN A 23 12.086 -7.899 6.070 1.00 0.00 N flip ATOM 0 H ASN A 23 11.617 -5.453 4.477 1.00 0.00 H new ATOM 0 HA ASN A 23 11.778 -7.078 2.060 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.009 -8.620 3.666 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.752 -7.055 3.401 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.453 -8.597 5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.079 -7.710 7.072 1.00 0.00 H new ATOM 310 N ILE A 24 9.266 -7.645 2.989 1.00 0.00 N ATOM 311 CA ILE A 24 8.076 -8.452 3.226 1.00 0.00 C ATOM 312 C ILE A 24 7.766 -9.342 2.027 1.00 0.00 C ATOM 313 O ILE A 24 7.671 -8.866 0.896 1.00 0.00 O ATOM 314 CB ILE A 24 6.849 -7.572 3.528 1.00 0.00 C ATOM 315 CG1 ILE A 24 5.591 -8.435 3.648 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.673 -6.518 2.444 1.00 0.00 C ATOM 317 CD1 ILE A 24 4.392 -7.685 4.185 1.00 0.00 C ATOM 0 H ILE A 24 9.101 -6.802 2.440 1.00 0.00 H new ATOM 0 HA ILE A 24 8.288 -9.077 4.094 1.00 0.00 H new ATOM 0 HB ILE A 24 7.010 -7.064 4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.345 -8.843 2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.802 -9.282 4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.802 -5.904 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.561 -5.887 2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.530 -7.007 1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.537 -8.359 4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.619 -7.300 5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.155 -6.854 3.520 1.00 0.00 H new ATOM 329 N GLY A 25 7.609 -10.637 2.282 1.00 0.00 N ATOM 330 CA GLY A 25 7.310 -11.573 1.214 1.00 0.00 C ATOM 331 C GLY A 25 5.965 -11.305 0.568 1.00 0.00 C ATOM 332 O GLY A 25 5.116 -10.628 1.147 1.00 0.00 O ATOM 0 H GLY A 25 7.684 -11.055 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.091 -11.516 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.323 -12.588 1.610 1.00 0.00 H new ATOM 336 N GLN A 26 5.772 -11.837 -0.634 1.00 0.00 N ATOM 337 CA GLN A 26 4.521 -11.649 -1.360 1.00 0.00 C ATOM 338 C GLN A 26 3.348 -12.236 -0.583 1.00 0.00 C ATOM 339 O GLN A 26 2.309 -11.593 -0.427 1.00 0.00 O ATOM 340 CB GLN A 26 4.607 -12.297 -2.743 1.00 0.00 C ATOM 341 CG GLN A 26 3.448 -11.936 -3.657 1.00 0.00 C ATOM 342 CD GLN A 26 3.480 -10.484 -4.094 1.00 0.00 C ATOM 343 OE1 GLN A 26 2.533 -9.733 -3.860 1.00 0.00 O ATOM 344 NE2 GLN A 26 4.572 -10.082 -4.733 1.00 0.00 N ATOM 0 H GLN A 26 6.465 -12.401 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 26 4.356 -10.578 -1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.541 -11.997 -3.218 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.643 -13.380 -2.626 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.472 -12.577 -4.538 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.508 -12.136 -3.142 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.333 -10.739 -4.905 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.650 -9.116 -5.051 1.00 0.00 H new ATOM 353 N HIS A 27 3.519 -13.461 -0.097 1.00 0.00 N ATOM 354 CA HIS A 27 2.474 -14.135 0.665 1.00 0.00 C ATOM 355 C HIS A 27 1.923 -13.223 1.757 1.00 0.00 C ATOM 356 O HIS A 27 0.728 -13.241 2.051 1.00 0.00 O ATOM 357 CB HIS A 27 3.015 -15.423 1.286 1.00 0.00 C ATOM 358 CG HIS A 27 1.971 -16.234 1.989 1.00 0.00 C ATOM 359 ND1 HIS A 27 1.125 -15.908 2.995 1.00 0.00 N flip ATOM 360 CD2 HIS A 27 1.706 -17.551 1.679 1.00 0.00 C flip ATOM 361 CE1 HIS A 27 0.371 -17.022 3.270 1.00 0.00 C flip ATOM 362 NE2 HIS A 27 0.741 -18.000 2.462 1.00 0.00 N flip ATOM 0 H HIS A 27 4.372 -14.007 -0.217 1.00 0.00 H new ATOM 0 HA HIS A 27 1.663 -14.383 -0.020 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.469 -16.031 0.504 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.805 -15.171 1.993 1.00 0.00 H new ATOM 0 HD1 HIS A 27 1.060 -15.003 3.462 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.209 -18.126 0.915 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.399 -17.088 4.024 1.00 0.00 H new ATOM 371 N ASP A 28 2.803 -12.426 2.354 1.00 0.00 N ATOM 372 CA ASP A 28 2.405 -11.506 3.414 1.00 0.00 C ATOM 373 C ASP A 28 1.863 -10.206 2.828 1.00 0.00 C ATOM 374 O ASP A 28 0.739 -9.799 3.126 1.00 0.00 O ATOM 375 CB ASP A 28 3.590 -11.211 4.334 1.00 0.00 C ATOM 376 CG ASP A 28 3.886 -12.356 5.282 1.00 0.00 C ATOM 377 OD1 ASP A 28 2.950 -13.119 5.602 1.00 0.00 O ATOM 378 OD2 ASP A 28 5.054 -12.490 5.704 1.00 0.00 O ATOM 0 H ASP A 28 3.796 -12.398 2.122 1.00 0.00 H new ATOM 0 HA ASP A 28 1.614 -11.979 3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.473 -11.006 3.729 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.383 -10.310 4.911 1.00 0.00 H new ATOM 383 N LEU A 29 2.669 -9.556 1.996 1.00 0.00 N ATOM 384 CA LEU A 29 2.272 -8.300 1.370 1.00 0.00 C ATOM 385 C LEU A 29 0.859 -8.398 0.803 1.00 0.00 C ATOM 386 O LEU A 29 0.068 -7.461 0.915 1.00 0.00 O ATOM 387 CB LEU A 29 3.255 -7.928 0.258 1.00 0.00 C ATOM 388 CG LEU A 29 3.072 -6.543 -0.363 1.00 0.00 C ATOM 389 CD1 LEU A 29 3.227 -5.460 0.693 1.00 0.00 C ATOM 390 CD2 LEU A 29 4.066 -6.332 -1.496 1.00 0.00 C ATOM 0 H LEU A 29 3.602 -9.878 1.739 1.00 0.00 H new ATOM 0 HA LEU A 29 2.285 -7.522 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.267 -7.994 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.176 -8.673 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 29 2.064 -6.480 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.094 -4.481 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.477 -5.600 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.222 -5.521 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.922 -5.341 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.082 -6.415 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.907 -7.088 -2.265 1.00 0.00 H new ATOM 402 N ASP A 30 0.548 -9.538 0.196 1.00 0.00 N ATOM 403 CA ASP A 30 -0.771 -9.760 -0.386 1.00 0.00 C ATOM 404 C ASP A 30 -1.870 -9.344 0.586 1.00 0.00 C ATOM 405 O ASP A 30 -2.742 -8.542 0.249 1.00 0.00 O ATOM 406 CB ASP A 30 -0.942 -11.231 -0.769 1.00 0.00 C ATOM 407 CG ASP A 30 -1.986 -11.429 -1.850 1.00 0.00 C ATOM 408 OD1 ASP A 30 -1.850 -10.813 -2.927 1.00 0.00 O ATOM 409 OD2 ASP A 30 -2.939 -12.203 -1.618 1.00 0.00 O ATOM 0 H ASP A 30 1.191 -10.323 0.094 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.853 -9.147 -1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.013 -11.627 -1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.225 -11.803 0.115 1.00 0.00 H new ATOM 414 N THR A 31 -1.824 -9.895 1.795 1.00 0.00 N ATOM 415 CA THR A 31 -2.817 -9.584 2.816 1.00 0.00 C ATOM 416 C THR A 31 -2.823 -8.094 3.141 1.00 0.00 C ATOM 417 O THR A 31 -3.881 -7.469 3.220 1.00 0.00 O ATOM 418 CB THR A 31 -2.561 -10.379 4.110 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.497 -11.780 3.820 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.658 -10.117 5.132 1.00 0.00 C ATOM 0 H THR A 31 -1.109 -10.559 2.091 1.00 0.00 H new ATOM 0 HA THR A 31 -3.788 -9.869 2.410 1.00 0.00 H new ATOM 0 HB THR A 31 -1.610 -10.052 4.529 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.332 -12.278 4.648 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.456 -10.689 6.038 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.685 -9.054 5.373 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.620 -10.420 4.719 1.00 0.00 H new ATOM 428 N LYS A 32 -1.635 -7.530 3.328 1.00 0.00 N ATOM 429 CA LYS A 32 -1.501 -6.112 3.642 1.00 0.00 C ATOM 430 C LYS A 32 -2.311 -5.261 2.669 1.00 0.00 C ATOM 431 O LYS A 32 -2.983 -4.311 3.072 1.00 0.00 O ATOM 432 CB LYS A 32 -0.030 -5.695 3.599 1.00 0.00 C ATOM 433 CG LYS A 32 0.863 -6.521 4.510 1.00 0.00 C ATOM 434 CD LYS A 32 0.934 -5.929 5.907 1.00 0.00 C ATOM 435 CE LYS A 32 1.689 -6.841 6.861 1.00 0.00 C ATOM 436 NZ LYS A 32 0.833 -7.952 7.363 1.00 0.00 N ATOM 0 H LYS A 32 -0.750 -8.033 3.268 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.888 -5.950 4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.333 -5.779 2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.050 -4.645 3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.484 -7.541 4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.866 -6.576 4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.425 -4.957 5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.075 -5.761 6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.560 -7.255 6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.058 -6.258 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.385 -8.550 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.014 -7.558 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.501 -8.524 6.561 1.00 0.00 H new ATOM 450 N SER A 33 -2.242 -5.607 1.388 1.00 0.00 N ATOM 451 CA SER A 33 -2.967 -4.873 0.357 1.00 0.00 C ATOM 452 C SER A 33 -4.472 -5.079 0.500 1.00 0.00 C ATOM 453 O SER A 33 -5.245 -4.121 0.502 1.00 0.00 O ATOM 454 CB SER A 33 -2.509 -5.318 -1.033 1.00 0.00 C ATOM 455 OG SER A 33 -1.099 -5.249 -1.152 1.00 0.00 O ATOM 0 H SER A 33 -1.691 -6.391 1.039 1.00 0.00 H new ATOM 0 HA SER A 33 -2.750 -3.812 0.480 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.843 -6.338 -1.220 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.972 -4.687 -1.791 1.00 0.00 H new ATOM 0 HG SER A 33 -0.690 -5.962 -0.618 1.00 0.00 H new ATOM 461 N LYS A 34 -4.881 -6.338 0.619 1.00 0.00 N ATOM 462 CA LYS A 34 -6.293 -6.673 0.764 1.00 0.00 C ATOM 463 C LYS A 34 -6.919 -5.902 1.921 1.00 0.00 C ATOM 464 O LYS A 34 -7.988 -5.309 1.777 1.00 0.00 O ATOM 465 CB LYS A 34 -6.460 -8.177 0.989 1.00 0.00 C ATOM 466 CG LYS A 34 -6.288 -9.004 -0.274 1.00 0.00 C ATOM 467 CD LYS A 34 -6.435 -10.490 0.008 1.00 0.00 C ATOM 468 CE LYS A 34 -6.267 -11.317 -1.258 1.00 0.00 C ATOM 469 NZ LYS A 34 -6.903 -12.658 -1.133 1.00 0.00 N ATOM 0 H LYS A 34 -4.255 -7.143 0.618 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.805 -6.390 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.734 -8.508 1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.450 -8.366 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.028 -8.698 -1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.306 -8.810 -0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.693 -10.797 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.416 -10.684 0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.706 -10.784 -2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.206 -11.437 -1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.767 -13.191 -2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.467 -13.177 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.921 -12.544 -0.951 1.00 0.00 H new ATOM 483 N GLN A 35 -6.247 -5.915 3.068 1.00 0.00 N ATOM 484 CA GLN A 35 -6.739 -5.217 4.249 1.00 0.00 C ATOM 485 C GLN A 35 -6.965 -3.738 3.952 1.00 0.00 C ATOM 486 O GLN A 35 -7.974 -3.161 4.359 1.00 0.00 O ATOM 487 CB GLN A 35 -5.751 -5.372 5.407 1.00 0.00 C ATOM 488 CG GLN A 35 -6.408 -5.322 6.777 1.00 0.00 C ATOM 489 CD GLN A 35 -7.226 -6.562 7.078 1.00 0.00 C ATOM 490 OE1 GLN A 35 -7.069 -7.596 6.428 1.00 0.00 O ATOM 491 NE2 GLN A 35 -8.106 -6.466 8.068 1.00 0.00 N ATOM 0 H GLN A 35 -5.361 -6.401 3.204 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.693 -5.662 4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.224 -6.320 5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.002 -4.583 5.343 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.639 -5.205 7.540 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.051 -4.444 6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.203 -5.590 8.581 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.684 -7.269 8.316 1.00 0.00 H new ATOM 500 N ILE A 36 -6.020 -3.131 3.242 1.00 0.00 N ATOM 501 CA ILE A 36 -6.117 -1.720 2.891 1.00 0.00 C ATOM 502 C ILE A 36 -7.275 -1.471 1.930 1.00 0.00 C ATOM 503 O ILE A 36 -8.078 -0.561 2.134 1.00 0.00 O ATOM 504 CB ILE A 36 -4.813 -1.208 2.250 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.655 -1.315 3.243 1.00 0.00 C ATOM 506 CG2 ILE A 36 -4.983 0.228 1.778 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.292 -1.182 2.599 1.00 0.00 C ATOM 0 H ILE A 36 -5.179 -3.594 2.899 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.294 -1.176 3.819 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.583 -1.829 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.766 -0.541 4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.714 -2.275 3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.053 0.575 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.784 0.276 1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.234 0.863 2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.519 -1.268 3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.161 -1.972 1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.214 -0.211 2.111 1.00 0.00 H new ATOM 519 N GLN A 37 -7.354 -2.287 0.884 1.00 0.00 N ATOM 520 CA GLN A 37 -8.415 -2.155 -0.107 1.00 0.00 C ATOM 521 C GLN A 37 -9.776 -2.015 0.567 1.00 0.00 C ATOM 522 O GLN A 37 -10.603 -1.203 0.153 1.00 0.00 O ATOM 523 CB GLN A 37 -8.419 -3.364 -1.045 1.00 0.00 C ATOM 524 CG GLN A 37 -9.257 -3.161 -2.297 1.00 0.00 C ATOM 525 CD GLN A 37 -9.353 -4.414 -3.144 1.00 0.00 C ATOM 526 OE1 GLN A 37 -9.624 -5.502 -2.635 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.131 -4.268 -4.445 1.00 0.00 N ATOM 0 H GLN A 37 -6.697 -3.045 0.701 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.224 -1.253 -0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.393 -3.590 -1.337 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.795 -4.232 -0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.259 -2.843 -2.011 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.825 -2.357 -2.892 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.909 -3.347 -4.824 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.182 -5.076 -5.065 1.00 0.00 H new ATOM 536 N GLN A 38 -10.001 -2.813 1.606 1.00 0.00 N ATOM 537 CA GLN A 38 -11.263 -2.778 2.336 1.00 0.00 C ATOM 538 C GLN A 38 -11.498 -1.402 2.951 1.00 0.00 C ATOM 539 O GLN A 38 -12.588 -0.841 2.841 1.00 0.00 O ATOM 540 CB GLN A 38 -11.273 -3.847 3.429 1.00 0.00 C ATOM 541 CG GLN A 38 -11.440 -5.261 2.896 1.00 0.00 C ATOM 542 CD GLN A 38 -11.230 -6.316 3.964 1.00 0.00 C ATOM 543 OE1 GLN A 38 -10.166 -6.930 4.046 1.00 0.00 O ATOM 544 NE2 GLN A 38 -12.246 -6.532 4.791 1.00 0.00 N ATOM 0 H GLN A 38 -9.327 -3.491 1.961 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.068 -2.982 1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.342 -3.788 3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.082 -3.633 4.127 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.439 -5.370 2.474 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.731 -5.425 2.084 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.110 -6.000 4.687 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.162 -7.230 5.530 1.00 0.00 H new ATOM 553 N TRP A 39 -10.469 -0.866 3.598 1.00 0.00 N ATOM 554 CA TRP A 39 -10.564 0.445 4.231 1.00 0.00 C ATOM 555 C TRP A 39 -10.926 1.518 3.210 1.00 0.00 C ATOM 556 O TRP A 39 -11.837 2.316 3.431 1.00 0.00 O ATOM 557 CB TRP A 39 -9.244 0.800 4.917 1.00 0.00 C ATOM 558 CG TRP A 39 -8.965 -0.029 6.134 1.00 0.00 C ATOM 559 CD1 TRP A 39 -9.882 -0.521 7.019 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.683 -0.462 6.601 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.247 -1.232 8.007 1.00 0.00 N ATOM 562 CE2 TRP A 39 -7.897 -1.212 7.773 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.374 -0.290 6.141 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -6.852 -1.787 8.491 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.337 -0.861 6.854 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.581 -1.603 8.018 1.00 0.00 C ATOM 0 H TRP A 39 -9.560 -1.318 3.698 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.354 0.402 4.980 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.428 0.674 4.206 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.261 1.853 5.199 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -10.950 -0.372 6.951 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.706 -1.700 8.789 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.177 0.279 5.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.038 -2.358 9.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.322 -0.733 6.509 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.749 -2.038 8.552 1.00 0.00 H new ATOM 577 N ILE A 40 -10.207 1.532 2.093 1.00 0.00 N ATOM 578 CA ILE A 40 -10.454 2.507 1.038 1.00 0.00 C ATOM 579 C ILE A 40 -11.930 2.545 0.659 1.00 0.00 C ATOM 580 O ILE A 40 -12.492 3.613 0.419 1.00 0.00 O ATOM 581 CB ILE A 40 -9.621 2.198 -0.220 1.00 0.00 C ATOM 582 CG1 ILE A 40 -8.127 2.217 0.113 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.936 3.198 -1.322 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.591 3.601 0.403 1.00 0.00 C ATOM 0 H ILE A 40 -9.449 0.879 1.895 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.157 3.479 1.431 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.882 1.201 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.947 1.578 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.571 1.788 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.340 2.967 -2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.995 3.140 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.700 4.205 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.527 3.539 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.739 4.238 -0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.120 4.025 1.256 1.00 0.00 H new ATOM 596 N GLU A 41 -12.554 1.372 0.611 1.00 0.00 N ATOM 597 CA GLU A 41 -13.966 1.272 0.263 1.00 0.00 C ATOM 598 C GLU A 41 -14.810 2.188 1.145 1.00 0.00 C ATOM 599 O GLU A 41 -15.728 2.855 0.667 1.00 0.00 O ATOM 600 CB GLU A 41 -14.448 -0.174 0.402 1.00 0.00 C ATOM 601 CG GLU A 41 -13.803 -1.128 -0.589 1.00 0.00 C ATOM 602 CD GLU A 41 -14.670 -2.337 -0.883 1.00 0.00 C ATOM 603 OE1 GLU A 41 -15.814 -2.148 -1.347 1.00 0.00 O ATOM 604 OE2 GLU A 41 -14.205 -3.472 -0.649 1.00 0.00 O ATOM 0 H GLU A 41 -12.104 0.478 0.809 1.00 0.00 H new ATOM 0 HA GLU A 41 -14.081 1.587 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.242 -0.521 1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.530 -0.202 0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.599 -0.597 -1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.843 -1.461 -0.195 1.00 0.00 H new ATOM 611 N LYS A 42 -14.493 2.214 2.435 1.00 0.00 N ATOM 612 CA LYS A 42 -15.220 3.047 3.385 1.00 0.00 C ATOM 613 C LYS A 42 -14.602 4.439 3.472 1.00 0.00 C ATOM 614 O LYS A 42 -14.749 5.133 4.478 1.00 0.00 O ATOM 615 CB LYS A 42 -15.225 2.393 4.768 1.00 0.00 C ATOM 616 CG LYS A 42 -16.003 1.089 4.822 1.00 0.00 C ATOM 617 CD LYS A 42 -15.501 0.185 5.935 1.00 0.00 C ATOM 618 CE LYS A 42 -14.342 -0.683 5.468 1.00 0.00 C ATOM 619 NZ LYS A 42 -14.814 -1.899 4.750 1.00 0.00 N ATOM 0 H LYS A 42 -13.737 1.667 2.847 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.247 3.146 3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.196 2.205 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.651 3.091 5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.061 1.302 4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.916 0.573 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.184 0.792 6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.315 -0.450 6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.695 -0.102 4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.741 -0.979 6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.693 -2.732 5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.820 -1.791 4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.260 -2.025 3.879 1.00 0.00 H new ATOM 633 N LYS A 43 -13.911 4.842 2.411 1.00 0.00 N ATOM 634 CA LYS A 43 -13.273 6.152 2.365 1.00 0.00 C ATOM 635 C LYS A 43 -12.464 6.408 3.633 1.00 0.00 C ATOM 636 O LYS A 43 -12.553 7.480 4.231 1.00 0.00 O ATOM 637 CB LYS A 43 -14.325 7.249 2.188 1.00 0.00 C ATOM 638 CG LYS A 43 -14.782 7.427 0.751 1.00 0.00 C ATOM 639 CD LYS A 43 -15.636 6.259 0.288 1.00 0.00 C ATOM 640 CE LYS A 43 -16.174 6.483 -1.116 1.00 0.00 C ATOM 641 NZ LYS A 43 -17.379 7.359 -1.116 1.00 0.00 N ATOM 0 H LYS A 43 -13.779 4.279 1.571 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.594 6.168 1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.190 7.015 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.918 8.193 2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.351 8.353 0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.912 7.523 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.045 5.344 0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.467 6.118 0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.398 6.933 -1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.423 5.522 -1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.715 7.487 -2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.129 6.918 -0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.135 8.285 -0.709 1.00 0.00 H new ATOM 655 N TYR A 44 -11.676 5.418 4.036 1.00 0.00 N ATOM 656 CA TYR A 44 -10.852 5.536 5.234 1.00 0.00 C ATOM 657 C TYR A 44 -9.398 5.819 4.869 1.00 0.00 C ATOM 658 O TYR A 44 -8.764 5.046 4.151 1.00 0.00 O ATOM 659 CB TYR A 44 -10.941 4.256 6.067 1.00 0.00 C ATOM 660 CG TYR A 44 -12.106 4.240 7.031 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.378 5.336 7.840 1.00 0.00 C ATOM 662 CD2 TYR A 44 -12.934 3.129 7.133 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.441 5.326 8.723 1.00 0.00 C ATOM 664 CE2 TYR A 44 -13.999 3.111 8.011 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.249 4.212 8.804 1.00 0.00 C ATOM 666 OH TYR A 44 -15.309 4.197 9.682 1.00 0.00 O ATOM 0 H TYR A 44 -11.590 4.525 3.551 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.229 6.372 5.823 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.024 3.401 5.396 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.015 4.132 6.628 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.748 6.211 7.778 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.741 2.265 6.515 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.638 6.186 9.346 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.633 2.239 8.077 1.00 0.00 H new ATOM 0 HH TYR A 44 -15.778 3.339 9.614 1.00 0.00 H new ATOM 676 N HIS A 45 -8.876 6.934 5.370 1.00 0.00 N ATOM 677 CA HIS A 45 -7.496 7.321 5.099 1.00 0.00 C ATOM 678 C HIS A 45 -6.521 6.311 5.697 1.00 0.00 C ATOM 679 O HIS A 45 -6.444 6.154 6.916 1.00 0.00 O ATOM 680 CB HIS A 45 -7.214 8.714 5.663 1.00 0.00 C ATOM 681 CG HIS A 45 -7.530 9.822 4.705 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.593 10.372 3.856 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.687 10.482 4.464 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.159 11.323 3.136 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.430 11.410 3.485 1.00 0.00 N ATOM 0 H HIS A 45 -9.388 7.585 5.966 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.356 7.340 4.018 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.797 8.854 6.573 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.163 8.777 5.945 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.636 10.311 4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.666 11.927 2.389 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.110 12.061 3.091 1.00 0.00 H new ATOM 694 N VAL A 46 -5.779 5.628 4.832 1.00 0.00 N ATOM 695 CA VAL A 46 -4.809 4.633 5.274 1.00 0.00 C ATOM 696 C VAL A 46 -3.387 5.177 5.190 1.00 0.00 C ATOM 697 O VAL A 46 -2.888 5.469 4.105 1.00 0.00 O ATOM 698 CB VAL A 46 -4.905 3.344 4.436 1.00 0.00 C ATOM 699 CG1 VAL A 46 -3.925 2.300 4.949 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.327 2.805 4.450 1.00 0.00 C ATOM 0 H VAL A 46 -5.831 5.745 3.820 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.045 4.400 6.312 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.641 3.580 3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.007 1.396 4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.909 2.690 4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.155 2.064 5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.377 1.894 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.622 2.583 5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.003 3.551 4.031 1.00 0.00 H new ATOM 710 N GLN A 47 -2.741 5.308 6.344 1.00 0.00 N ATOM 711 CA GLN A 47 -1.376 5.817 6.401 1.00 0.00 C ATOM 712 C GLN A 47 -0.369 4.672 6.424 1.00 0.00 C ATOM 713 O GLN A 47 -0.089 4.098 7.476 1.00 0.00 O ATOM 714 CB GLN A 47 -1.189 6.701 7.636 1.00 0.00 C ATOM 715 CG GLN A 47 0.238 7.188 7.825 1.00 0.00 C ATOM 716 CD GLN A 47 0.374 8.163 8.978 1.00 0.00 C ATOM 717 OE1 GLN A 47 1.165 7.948 9.898 1.00 0.00 O ATOM 718 NE2 GLN A 47 -0.398 9.242 8.936 1.00 0.00 N ATOM 0 H GLN A 47 -3.141 5.069 7.251 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.200 6.414 5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.851 7.563 7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.494 6.143 8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.890 6.332 7.999 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.579 7.667 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.039 9.380 8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.350 9.933 9.685 1.00 0.00 H new ATOM 727 N VAL A 48 0.174 4.345 5.255 1.00 0.00 N ATOM 728 CA VAL A 48 1.151 3.269 5.141 1.00 0.00 C ATOM 729 C VAL A 48 2.567 3.785 5.375 1.00 0.00 C ATOM 730 O VAL A 48 2.987 4.774 4.774 1.00 0.00 O ATOM 731 CB VAL A 48 1.084 2.595 3.758 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.163 1.531 3.629 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.295 1.998 3.522 1.00 0.00 C ATOM 0 H VAL A 48 -0.046 4.810 4.374 1.00 0.00 H new ATOM 0 HA VAL A 48 0.904 2.534 5.907 1.00 0.00 H new ATOM 0 HB VAL A 48 1.262 3.353 2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.100 1.066 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.144 1.991 3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.020 0.773 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.324 1.526 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.505 1.253 4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.046 2.787 3.568 1.00 0.00 H new ATOM 743 N THR A 49 3.300 3.107 6.253 1.00 0.00 N ATOM 744 CA THR A 49 4.668 3.497 6.568 1.00 0.00 C ATOM 745 C THR A 49 5.605 2.295 6.530 1.00 0.00 C ATOM 746 O THR A 49 5.499 1.387 7.355 1.00 0.00 O ATOM 747 CB THR A 49 4.759 4.160 7.955 1.00 0.00 C ATOM 748 OG1 THR A 49 3.921 5.320 7.999 1.00 0.00 O ATOM 749 CG2 THR A 49 6.194 4.551 8.276 1.00 0.00 C ATOM 0 H THR A 49 2.969 2.285 6.758 1.00 0.00 H new ATOM 0 HA THR A 49 4.973 4.217 5.809 1.00 0.00 H new ATOM 0 HB THR A 49 4.421 3.440 8.700 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.209 5.904 8.732 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.233 5.017 9.260 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.823 3.661 8.271 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.556 5.255 7.527 1.00 0.00 H new ATOM 757 N ILE A 50 6.521 2.295 5.567 1.00 0.00 N ATOM 758 CA ILE A 50 7.477 1.204 5.424 1.00 0.00 C ATOM 759 C ILE A 50 8.656 1.377 6.375 1.00 0.00 C ATOM 760 O ILE A 50 9.172 2.482 6.548 1.00 0.00 O ATOM 761 CB ILE A 50 8.007 1.106 3.981 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.869 0.758 3.019 1.00 0.00 C ATOM 763 CG2 ILE A 50 9.117 0.069 3.893 1.00 0.00 C ATOM 764 CD1 ILE A 50 7.312 0.633 1.578 1.00 0.00 C ATOM 0 H ILE A 50 6.621 3.038 4.875 1.00 0.00 H new ATOM 0 HA ILE A 50 6.946 0.285 5.671 1.00 0.00 H new ATOM 0 HB ILE A 50 8.417 2.074 3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.413 -0.181 3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.098 1.526 3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.481 0.012 2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.936 0.356 4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.731 -0.904 4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.454 0.385 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.741 1.578 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.061 -0.155 1.495 1.00 0.00 H new ATOM 776 N LYS A 51 9.080 0.278 6.990 1.00 0.00 N ATOM 777 CA LYS A 51 10.200 0.306 7.923 1.00 0.00 C ATOM 778 C LYS A 51 11.374 -0.508 7.388 1.00 0.00 C ATOM 779 O LYS A 51 11.322 -1.738 7.351 1.00 0.00 O ATOM 780 CB LYS A 51 9.769 -0.236 9.287 1.00 0.00 C ATOM 781 CG LYS A 51 8.549 0.463 9.861 1.00 0.00 C ATOM 782 CD LYS A 51 8.940 1.667 10.701 1.00 0.00 C ATOM 783 CE LYS A 51 9.157 1.284 12.157 1.00 0.00 C ATOM 784 NZ LYS A 51 7.897 1.363 12.945 1.00 0.00 N ATOM 0 H LYS A 51 8.664 -0.644 6.859 1.00 0.00 H new ATOM 0 HA LYS A 51 10.520 1.342 8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.557 -1.301 9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.598 -0.135 9.987 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.895 0.782 9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.980 -0.238 10.471 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.852 2.111 10.301 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.161 2.426 10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.556 0.271 12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.904 1.944 12.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.107 1.716 13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.233 2.011 12.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.469 0.417 13.011 1.00 0.00 H new ATOM 978 N THR A 63 12.155 0.979 -2.138 1.00 0.00 N ATOM 979 CA THR A 63 11.184 1.296 -1.098 1.00 0.00 C ATOM 980 C THR A 63 9.930 1.928 -1.690 1.00 0.00 C ATOM 981 O THR A 63 8.830 1.754 -1.167 1.00 0.00 O ATOM 982 CB THR A 63 11.780 2.251 -0.047 1.00 0.00 C ATOM 983 OG1 THR A 63 13.069 1.784 0.365 1.00 0.00 O ATOM 984 CG2 THR A 63 10.865 2.362 1.163 1.00 0.00 C ATOM 0 HA THR A 63 10.919 0.355 -0.615 1.00 0.00 H new ATOM 0 HB THR A 63 11.880 3.237 -0.500 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.432 1.181 -0.317 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.306 3.042 1.892 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.894 2.746 0.851 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.738 1.378 1.615 1.00 0.00 H new ATOM 992 N GLU A 64 10.103 2.663 -2.785 1.00 0.00 N ATOM 993 CA GLU A 64 8.984 3.321 -3.448 1.00 0.00 C ATOM 994 C GLU A 64 8.138 2.312 -4.219 1.00 0.00 C ATOM 995 O GLU A 64 6.919 2.261 -4.064 1.00 0.00 O ATOM 996 CB GLU A 64 9.492 4.409 -4.397 1.00 0.00 C ATOM 997 CG GLU A 64 9.631 5.772 -3.741 1.00 0.00 C ATOM 998 CD GLU A 64 10.967 5.952 -3.047 1.00 0.00 C ATOM 999 OE1 GLU A 64 11.094 5.518 -1.883 1.00 0.00 O ATOM 1000 OE2 GLU A 64 11.886 6.527 -3.668 1.00 0.00 O ATOM 0 H GLU A 64 11.007 2.817 -3.231 1.00 0.00 H new ATOM 0 HA GLU A 64 8.360 3.781 -2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.460 4.107 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.809 4.490 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.511 6.549 -4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.828 5.906 -3.016 1.00 0.00 H new ATOM 1007 N GLU A 65 8.797 1.511 -5.052 1.00 0.00 N ATOM 1008 CA GLU A 65 8.106 0.504 -5.849 1.00 0.00 C ATOM 1009 C GLU A 65 7.057 -0.225 -5.014 1.00 0.00 C ATOM 1010 O GLU A 65 5.973 -0.546 -5.502 1.00 0.00 O ATOM 1011 CB GLU A 65 9.107 -0.502 -6.420 1.00 0.00 C ATOM 1012 CG GLU A 65 10.056 0.099 -7.443 1.00 0.00 C ATOM 1013 CD GLU A 65 9.377 0.395 -8.766 1.00 0.00 C ATOM 1014 OE1 GLU A 65 9.210 -0.545 -9.571 1.00 0.00 O ATOM 1015 OE2 GLU A 65 9.012 1.567 -8.996 1.00 0.00 O ATOM 0 H GLU A 65 9.807 1.540 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 65 7.603 1.012 -6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.689 -0.927 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.560 -1.324 -6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.480 1.020 -7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.886 -0.588 -7.610 1.00 0.00 H new ATOM 1022 N ILE A 66 7.388 -0.483 -3.753 1.00 0.00 N ATOM 1023 CA ILE A 66 6.475 -1.173 -2.850 1.00 0.00 C ATOM 1024 C ILE A 66 5.063 -0.605 -2.955 1.00 0.00 C ATOM 1025 O ILE A 66 4.137 -1.292 -3.387 1.00 0.00 O ATOM 1026 CB ILE A 66 6.948 -1.075 -1.388 1.00 0.00 C ATOM 1027 CG1 ILE A 66 8.309 -1.754 -1.222 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.921 -1.700 -0.456 1.00 0.00 C ATOM 1029 CD1 ILE A 66 8.221 -3.258 -1.085 1.00 0.00 C ATOM 0 H ILE A 66 8.281 -0.225 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 66 6.466 -2.221 -3.151 1.00 0.00 H new ATOM 0 HB ILE A 66 7.054 -0.022 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.934 -1.511 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.805 -1.345 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.270 -1.623 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.971 -1.176 -0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.786 -2.750 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.223 -3.672 -0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.623 -3.509 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.754 -3.678 -1.976 1.00 0.00 H new ATOM 1041 N PHE A 67 4.907 0.654 -2.559 1.00 0.00 N ATOM 1042 CA PHE A 67 3.609 1.315 -2.610 1.00 0.00 C ATOM 1043 C PHE A 67 2.879 0.984 -3.909 1.00 0.00 C ATOM 1044 O PHE A 67 1.707 0.612 -3.897 1.00 0.00 O ATOM 1045 CB PHE A 67 3.779 2.830 -2.480 1.00 0.00 C ATOM 1046 CG PHE A 67 4.476 3.249 -1.216 1.00 0.00 C ATOM 1047 CD1 PHE A 67 3.774 3.360 -0.027 1.00 0.00 C ATOM 1048 CD2 PHE A 67 5.833 3.530 -1.218 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.413 3.746 1.137 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.477 3.915 -0.058 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.766 4.022 1.121 1.00 0.00 C ATOM 0 H PHE A 67 5.663 1.236 -2.199 1.00 0.00 H new ATOM 0 HA PHE A 67 3.011 0.950 -1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.344 3.199 -3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.797 3.302 -2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.716 3.143 -0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.394 3.447 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.855 3.832 2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.535 4.132 -0.073 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.268 4.321 2.030 1.00 0.00 H new ATOM 1061 N ASN A 68 3.583 1.124 -5.028 1.00 0.00 N ATOM 1062 CA ASN A 68 3.004 0.841 -6.336 1.00 0.00 C ATOM 1063 C ASN A 68 2.463 -0.585 -6.394 1.00 0.00 C ATOM 1064 O ASN A 68 1.313 -0.807 -6.771 1.00 0.00 O ATOM 1065 CB ASN A 68 4.048 1.047 -7.435 1.00 0.00 C ATOM 1066 CG ASN A 68 4.092 2.481 -7.928 1.00 0.00 C ATOM 1067 OD1 ASN A 68 3.164 2.952 -8.586 1.00 0.00 O ATOM 1068 ND2 ASN A 68 5.174 3.182 -7.612 1.00 0.00 N ATOM 0 H ASN A 68 4.555 1.432 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 68 2.177 1.532 -6.496 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.031 0.765 -7.057 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.827 0.384 -8.272 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.260 4.152 -7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.919 2.751 -7.065 1.00 0.00 H new ATOM 1075 N GLN A 69 3.301 -1.546 -6.018 1.00 0.00 N ATOM 1076 CA GLN A 69 2.906 -2.949 -6.028 1.00 0.00 C ATOM 1077 C GLN A 69 1.548 -3.138 -5.361 1.00 0.00 C ATOM 1078 O GLN A 69 0.754 -3.983 -5.776 1.00 0.00 O ATOM 1079 CB GLN A 69 3.959 -3.802 -5.318 1.00 0.00 C ATOM 1080 CG GLN A 69 5.363 -3.624 -5.874 1.00 0.00 C ATOM 1081 CD GLN A 69 6.209 -4.874 -5.734 1.00 0.00 C ATOM 1082 OE1 GLN A 69 6.667 -5.442 -6.726 1.00 0.00 O ATOM 1083 NE2 GLN A 69 6.421 -5.310 -4.498 1.00 0.00 N ATOM 0 H GLN A 69 4.257 -1.379 -5.703 1.00 0.00 H new ATOM 0 HA GLN A 69 2.828 -3.270 -7.067 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.963 -3.551 -4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.677 -4.852 -5.396 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.300 -3.348 -6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.853 -2.799 -5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.022 -4.808 -3.705 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.983 -6.147 -4.342 1.00 0.00 H new ATOM 1092 N ILE A 70 1.288 -2.347 -4.326 1.00 0.00 N ATOM 1093 CA ILE A 70 0.025 -2.427 -3.602 1.00 0.00 C ATOM 1094 C ILE A 70 -1.101 -1.763 -4.387 1.00 0.00 C ATOM 1095 O ILE A 70 -2.223 -2.270 -4.434 1.00 0.00 O ATOM 1096 CB ILE A 70 0.128 -1.765 -2.215 1.00 0.00 C ATOM 1097 CG1 ILE A 70 1.310 -2.345 -1.436 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.168 -1.953 -1.441 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.890 -1.389 -0.418 1.00 0.00 C ATOM 0 H ILE A 70 1.935 -1.643 -3.970 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.199 -3.486 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 70 0.296 -0.696 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.989 -3.254 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.092 -2.633 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.080 -1.480 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.990 -1.497 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.364 -3.018 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.724 -1.867 0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.243 -0.490 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.122 -1.120 0.308 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.795 -0.627 -5.005 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.781 0.106 -5.791 1.00 0.00 C ATOM 1113 C LEU A 71 -2.191 -0.687 -7.027 1.00 0.00 C ATOM 1114 O LEU A 71 -3.165 -0.348 -7.699 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.221 1.467 -6.207 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.205 2.419 -6.888 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.946 3.251 -5.852 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.480 3.319 -7.877 1.00 0.00 C ATOM 0 H LEU A 71 0.128 -0.194 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.664 0.258 -5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.824 1.961 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.381 1.301 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.935 1.824 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.642 3.923 -6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.498 2.591 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.230 3.836 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.196 3.989 -8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.727 3.906 -7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.996 2.707 -8.638 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.443 -1.746 -7.320 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.731 -2.588 -8.475 1.00 0.00 C ATOM 1132 C GLN A 72 -2.975 -3.437 -8.233 1.00 0.00 C ATOM 1133 O GLN A 72 -3.469 -4.107 -9.141 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.535 -3.492 -8.784 1.00 0.00 C ATOM 1135 CG GLN A 72 0.606 -2.772 -9.484 1.00 0.00 C ATOM 1136 CD GLN A 72 0.467 -2.790 -10.994 1.00 0.00 C ATOM 1137 OE1 GLN A 72 0.989 -3.679 -11.667 1.00 0.00 O ATOM 1138 NE2 GLN A 72 -0.240 -1.804 -11.535 1.00 0.00 N ATOM 0 H GLN A 72 -0.634 -2.041 -6.774 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.917 -1.938 -9.330 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.165 -3.923 -7.853 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.868 -4.321 -9.409 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.645 -1.739 -9.139 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.551 -3.238 -9.204 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.655 -1.088 -10.939 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.368 -1.763 -12.546 1.00 0.00 H new ATOM 1147 N THR A 73 -3.478 -3.404 -7.003 1.00 0.00 N ATOM 1148 CA THR A 73 -4.664 -4.170 -6.642 1.00 0.00 C ATOM 1149 C THR A 73 -5.888 -3.269 -6.527 1.00 0.00 C ATOM 1150 O THR A 73 -7.024 -3.736 -6.602 1.00 0.00 O ATOM 1151 CB THR A 73 -4.465 -4.919 -5.311 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.292 -3.981 -4.243 1.00 0.00 O ATOM 1153 CG2 THR A 73 -3.257 -5.841 -5.384 1.00 0.00 C ATOM 0 H THR A 73 -3.082 -2.855 -6.240 1.00 0.00 H new ATOM 0 HA THR A 73 -4.825 -4.896 -7.439 1.00 0.00 H new ATOM 0 HB THR A 73 -5.352 -5.524 -5.123 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.475 -3.461 -4.394 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.137 -6.359 -4.433 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.405 -6.572 -6.179 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.363 -5.253 -5.593 1.00 0.00 H new ATOM 1161 N MET A 74 -5.648 -1.974 -6.345 1.00 0.00 N ATOM 1162 CA MET A 74 -6.732 -1.006 -6.222 1.00 0.00 C ATOM 1163 C MET A 74 -6.470 0.218 -7.093 1.00 0.00 C ATOM 1164 O MET A 74 -6.657 1.360 -6.673 1.00 0.00 O ATOM 1165 CB MET A 74 -6.902 -0.581 -4.762 1.00 0.00 C ATOM 1166 CG MET A 74 -5.588 -0.469 -4.006 1.00 0.00 C ATOM 1167 SD MET A 74 -5.819 -0.013 -2.277 1.00 0.00 S ATOM 1168 CE MET A 74 -4.919 -1.327 -1.457 1.00 0.00 C ATOM 0 H MET A 74 -4.713 -1.571 -6.280 1.00 0.00 H new ATOM 0 HA MET A 74 -7.651 -1.482 -6.563 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.414 0.381 -4.729 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.544 -1.301 -4.255 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.060 -1.421 -4.059 1.00 0.00 H new ATOM 0 HG3 MET A 74 -4.956 0.274 -4.492 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.624 -2.053 -1.051 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.262 -1.820 -2.174 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.322 -0.909 -0.646 1.00 0.00 H new ATOM 1178 N PRO A 75 -6.026 -0.023 -8.336 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.729 1.048 -9.292 1.00 0.00 C ATOM 1180 C PRO A 75 -6.988 1.761 -9.774 1.00 0.00 C ATOM 1181 O PRO A 75 -6.912 2.778 -10.463 1.00 0.00 O ATOM 1182 CB PRO A 75 -5.055 0.311 -10.452 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.573 -1.083 -10.367 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.781 -1.359 -8.904 1.00 0.00 C ATOM 0 HA PRO A 75 -5.112 1.830 -8.849 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.304 0.768 -11.410 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.969 0.336 -10.360 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.506 -1.187 -10.920 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.865 -1.789 -10.801 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.626 -2.027 -8.737 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.907 -1.832 -8.456 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.145 1.221 -9.406 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.421 1.807 -9.800 1.00 0.00 C ATOM 1194 C ASP A 76 -10.281 2.110 -8.577 1.00 0.00 C ATOM 1195 O ASP A 76 -11.314 2.771 -8.681 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.170 0.864 -10.743 1.00 0.00 C ATOM 1197 CG ASP A 76 -10.211 -0.561 -10.226 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -9.128 -1.133 -9.977 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -11.324 -1.104 -10.070 1.00 0.00 O ATOM 0 H ASP A 76 -8.225 0.379 -8.836 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.217 2.743 -10.320 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.189 1.227 -10.881 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.691 0.878 -11.722 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.847 1.622 -7.420 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.577 1.841 -6.177 1.00 0.00 C ATOM 1206 C ILE A 77 -9.768 2.698 -5.209 1.00 0.00 C ATOM 1207 O ILE A 77 -10.314 3.267 -4.264 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.934 0.509 -5.491 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -11.038 0.702 -3.977 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.897 -0.553 -5.825 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.415 -0.560 -3.232 1.00 0.00 C ATOM 0 H ILE A 77 -8.994 1.073 -7.317 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.497 2.363 -6.439 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.902 0.174 -5.863 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.083 1.066 -3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.779 1.473 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.163 -1.489 -5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.867 -0.706 -6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.917 -0.226 -5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.470 -0.349 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.384 -0.914 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.662 -1.327 -3.412 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.465 2.786 -5.452 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.581 3.577 -4.604 1.00 0.00 C ATOM 1225 C ALA A 78 -6.664 4.462 -5.441 1.00 0.00 C ATOM 1226 O ALA A 78 -6.361 4.147 -6.592 1.00 0.00 O ATOM 1227 CB ALA A 78 -6.760 2.666 -3.703 1.00 0.00 C ATOM 0 H ALA A 78 -7.998 2.319 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.199 4.225 -3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.104 3.270 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.428 2.080 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.158 1.995 -4.316 1.00 0.00 H new ATOM 1233 N THR A 79 -6.226 5.573 -4.856 1.00 0.00 N ATOM 1234 CA THR A 79 -5.345 6.505 -5.548 1.00 0.00 C ATOM 1235 C THR A 79 -4.349 7.139 -4.585 1.00 0.00 C ATOM 1236 O THR A 79 -4.654 7.351 -3.411 1.00 0.00 O ATOM 1237 CB THR A 79 -6.145 7.619 -6.249 1.00 0.00 C ATOM 1238 OG1 THR A 79 -5.254 8.505 -6.935 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.975 8.403 -5.244 1.00 0.00 C ATOM 0 H THR A 79 -6.467 5.849 -3.904 1.00 0.00 H new ATOM 0 HA THR A 79 -4.803 5.929 -6.299 1.00 0.00 H new ATOM 0 HB THR A 79 -6.819 7.154 -6.969 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.771 9.209 -7.379 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.531 9.184 -5.762 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.673 7.731 -4.745 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.316 8.857 -4.503 1.00 0.00 H new ATOM 1247 N PHE A 80 -3.157 7.442 -5.087 1.00 0.00 N ATOM 1248 CA PHE A 80 -2.115 8.053 -4.270 1.00 0.00 C ATOM 1249 C PHE A 80 -2.566 9.411 -3.740 1.00 0.00 C ATOM 1250 O PHE A 80 -2.620 10.392 -4.483 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.828 8.211 -5.082 1.00 0.00 C ATOM 1252 CG PHE A 80 0.112 7.047 -4.948 1.00 0.00 C ATOM 1253 CD1 PHE A 80 -0.245 5.794 -5.419 1.00 0.00 C ATOM 1254 CD2 PHE A 80 1.352 7.206 -4.351 1.00 0.00 C ATOM 1255 CE1 PHE A 80 0.618 4.721 -5.297 1.00 0.00 C ATOM 1256 CE2 PHE A 80 2.219 6.137 -4.226 1.00 0.00 C ATOM 1257 CZ PHE A 80 1.852 4.893 -4.700 1.00 0.00 C ATOM 0 H PHE A 80 -2.888 7.274 -6.057 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.922 7.397 -3.421 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.085 8.341 -6.133 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.316 9.119 -4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.208 5.654 -5.887 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.645 8.177 -3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.328 3.749 -5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.183 6.274 -3.758 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.528 4.056 -4.604 1.00 0.00 H new ATOM 1267 N SER A 81 -2.889 9.460 -2.452 1.00 0.00 N ATOM 1268 CA SER A 81 -3.340 10.696 -1.823 1.00 0.00 C ATOM 1269 C SER A 81 -2.152 11.526 -1.345 1.00 0.00 C ATOM 1270 O SER A 81 -2.188 12.756 -1.378 1.00 0.00 O ATOM 1271 CB SER A 81 -4.267 10.385 -0.646 1.00 0.00 C ATOM 1272 OG SER A 81 -3.934 9.144 -0.049 1.00 0.00 O ATOM 0 H SER A 81 -2.847 8.658 -1.823 1.00 0.00 H new ATOM 0 HA SER A 81 -3.890 11.274 -2.566 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.196 11.180 0.096 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.301 10.361 -0.990 1.00 0.00 H new ATOM 0 HG SER A 81 -2.963 9.018 -0.077 1.00 0.00 H new ATOM 1278 N SER A 82 -1.102 10.844 -0.901 1.00 0.00 N ATOM 1279 CA SER A 82 0.096 11.517 -0.411 1.00 0.00 C ATOM 1280 C SER A 82 1.355 10.816 -0.911 1.00 0.00 C ATOM 1281 O SER A 82 1.688 9.719 -0.462 1.00 0.00 O ATOM 1282 CB SER A 82 0.094 11.559 1.118 1.00 0.00 C ATOM 1283 OG SER A 82 0.591 10.349 1.662 1.00 0.00 O ATOM 0 H SER A 82 -1.056 9.826 -0.870 1.00 0.00 H new ATOM 0 HA SER A 82 0.093 12.537 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.704 12.394 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.920 11.734 1.479 1.00 0.00 H new ATOM 0 HG SER A 82 1.441 10.121 1.230 1.00 0.00 H new ATOM 1289 N ARG A 83 2.052 11.458 -1.843 1.00 0.00 N ATOM 1290 CA ARG A 83 3.274 10.896 -2.406 1.00 0.00 C ATOM 1291 C ARG A 83 4.210 10.415 -1.301 1.00 0.00 C ATOM 1292 O ARG A 83 4.435 11.099 -0.302 1.00 0.00 O ATOM 1293 CB ARG A 83 3.986 11.935 -3.274 1.00 0.00 C ATOM 1294 CG ARG A 83 3.456 12.005 -4.697 1.00 0.00 C ATOM 1295 CD ARG A 83 4.214 11.065 -5.621 1.00 0.00 C ATOM 1296 NE ARG A 83 5.655 11.113 -5.388 1.00 0.00 N ATOM 1297 CZ ARG A 83 6.443 12.074 -5.856 1.00 0.00 C ATOM 1298 NH1 ARG A 83 5.933 13.062 -6.578 1.00 0.00 N ATOM 1299 NH2 ARG A 83 7.745 12.048 -5.602 1.00 0.00 N ATOM 0 H ARG A 83 1.791 12.368 -2.224 1.00 0.00 H new ATOM 0 HA ARG A 83 3.000 10.042 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.885 12.916 -2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.051 11.704 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.397 11.749 -4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.539 13.027 -5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.857 10.046 -5.474 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.005 11.329 -6.658 1.00 0.00 H new ATOM 0 HE ARG A 83 6.079 10.368 -4.836 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.933 13.086 -6.776 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.541 13.799 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.141 11.290 -5.047 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.350 12.786 -5.962 1.00 0.00 H new ATOM 1313 N PRO A 84 4.768 9.208 -1.481 1.00 0.00 N ATOM 1314 CA PRO A 84 5.688 8.608 -0.510 1.00 0.00 C ATOM 1315 C PRO A 84 7.030 9.330 -0.461 1.00 0.00 C ATOM 1316 O PRO A 84 7.769 9.357 -1.445 1.00 0.00 O ATOM 1317 CB PRO A 84 5.868 7.179 -1.029 1.00 0.00 C ATOM 1318 CG PRO A 84 5.590 7.268 -2.490 1.00 0.00 C ATOM 1319 CD PRO A 84 4.544 8.338 -2.648 1.00 0.00 C ATOM 0 HA PRO A 84 5.300 8.661 0.507 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.877 6.813 -0.840 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.182 6.490 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.494 7.521 -3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.234 6.314 -2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.664 8.883 -3.584 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.538 7.919 -2.650 1.00 0.00 H new ATOM 1327 N LYS A 85 7.340 9.915 0.692 1.00 0.00 N ATOM 1328 CA LYS A 85 8.594 10.636 0.871 1.00 0.00 C ATOM 1329 C LYS A 85 9.410 10.033 2.010 1.00 0.00 C ATOM 1330 O LYS A 85 8.883 9.293 2.840 1.00 0.00 O ATOM 1331 CB LYS A 85 8.320 12.115 1.153 1.00 0.00 C ATOM 1332 CG LYS A 85 7.559 12.357 2.445 1.00 0.00 C ATOM 1333 CD LYS A 85 6.057 12.352 2.217 1.00 0.00 C ATOM 1334 CE LYS A 85 5.296 12.126 3.514 1.00 0.00 C ATOM 1335 NZ LYS A 85 5.254 13.355 4.354 1.00 0.00 N ATOM 0 H LYS A 85 6.739 9.903 1.516 1.00 0.00 H new ATOM 0 HA LYS A 85 9.169 10.549 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.269 12.650 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.753 12.536 0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.820 11.588 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.860 13.314 2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.752 13.301 1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.799 11.571 1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.279 11.806 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.766 11.319 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.727 13.160 5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.224 13.646 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.782 14.119 3.829 1.00 0.00 H new ATOM 1349 N ALA A 86 10.699 10.356 2.045 1.00 0.00 N ATOM 1350 CA ALA A 86 11.586 9.850 3.084 1.00 0.00 C ATOM 1351 C ALA A 86 11.313 10.533 4.420 1.00 0.00 C ATOM 1352 O ALA A 86 11.561 11.729 4.578 1.00 0.00 O ATOM 1353 CB ALA A 86 13.039 10.042 2.678 1.00 0.00 C ATOM 0 H ALA A 86 11.152 10.966 1.365 1.00 0.00 H new ATOM 0 HA ALA A 86 11.392 8.784 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.690 9.659 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.232 9.501 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.237 11.103 2.527 1.00 0.00 H new ATOM 1359 N ILE A 87 10.801 9.767 5.377 1.00 0.00 N ATOM 1360 CA ILE A 87 10.495 10.299 6.699 1.00 0.00 C ATOM 1361 C ILE A 87 11.523 9.840 7.728 1.00 0.00 C ATOM 1362 O ILE A 87 12.264 8.885 7.496 1.00 0.00 O ATOM 1363 CB ILE A 87 9.091 9.873 7.167 1.00 0.00 C ATOM 1364 CG1 ILE A 87 9.026 8.354 7.338 1.00 0.00 C ATOM 1365 CG2 ILE A 87 8.037 10.346 6.177 1.00 0.00 C ATOM 1366 CD1 ILE A 87 7.874 7.893 8.203 1.00 0.00 C ATOM 0 H ILE A 87 10.589 8.776 5.262 1.00 0.00 H new ATOM 0 HA ILE A 87 10.527 11.385 6.617 1.00 0.00 H new ATOM 0 HB ILE A 87 8.889 10.337 8.132 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.941 7.889 6.356 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.961 8.005 7.776 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.050 10.037 6.521 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.071 11.433 6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.234 9.907 5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.890 6.806 8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.968 8.329 9.197 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.933 8.211 7.755 1.00 0.00 H new ATOM 1378 N ARG A 88 11.559 10.524 8.866 1.00 0.00 N ATOM 1379 CA ARG A 88 12.495 10.186 9.932 1.00 0.00 C ATOM 1380 C ARG A 88 13.927 10.147 9.406 1.00 0.00 C ATOM 1381 O ARG A 88 14.650 9.174 9.615 1.00 0.00 O ATOM 1382 CB ARG A 88 12.130 8.835 10.550 1.00 0.00 C ATOM 1383 CG ARG A 88 10.680 8.741 10.996 1.00 0.00 C ATOM 1384 CD ARG A 88 10.236 7.294 11.144 1.00 0.00 C ATOM 1385 NE ARG A 88 9.152 7.151 12.112 1.00 0.00 N ATOM 1386 CZ ARG A 88 8.398 6.062 12.216 1.00 0.00 C ATOM 1387 NH1 ARG A 88 8.610 5.027 11.415 1.00 0.00 N ATOM 1388 NH2 ARG A 88 7.431 6.007 13.123 1.00 0.00 N ATOM 0 H ARG A 88 10.951 11.316 9.074 1.00 0.00 H new ATOM 0 HA ARG A 88 12.429 10.958 10.698 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.330 8.047 9.824 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.778 8.650 11.407 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.556 9.260 11.947 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.042 9.246 10.271 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.910 6.914 10.176 1.00 0.00 H new ATOM 0 HD3 ARG A 88 11.084 6.685 11.457 1.00 0.00 H new ATOM 0 HE ARG A 88 8.963 7.930 12.743 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.353 5.066 10.717 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.030 4.192 11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.266 6.801 13.741 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.853 5.170 13.202 1.00 0.00 H new ATOM 1402 N GLY A 89 14.329 11.213 8.720 1.00 0.00 N ATOM 1403 CA GLY A 89 15.672 11.280 8.174 1.00 0.00 C ATOM 1404 C GLY A 89 15.796 10.555 6.848 1.00 0.00 C ATOM 1405 O GLY A 89 16.645 10.893 6.025 1.00 0.00 O ATOM 0 H GLY A 89 13.749 12.031 8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.955 12.324 8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.373 10.848 8.888 1.00 0.00 H new ATOM 1409 N GLY A 90 14.946 9.553 6.641 1.00 0.00 N ATOM 1410 CA GLY A 90 14.981 8.794 5.405 1.00 0.00 C ATOM 1411 C GLY A 90 15.091 7.301 5.645 1.00 0.00 C ATOM 1412 O GLY A 90 15.344 6.532 4.718 1.00 0.00 O ATOM 0 H GLY A 90 14.234 9.254 7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.079 9.001 4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.827 9.125 4.802 1.00 0.00 H new ATOM 1416 N THR A 91 14.902 6.889 6.895 1.00 0.00 N ATOM 1417 CA THR A 91 14.984 5.479 7.255 1.00 0.00 C ATOM 1418 C THR A 91 13.705 4.740 6.879 1.00 0.00 C ATOM 1419 O THR A 91 13.660 3.510 6.894 1.00 0.00 O ATOM 1420 CB THR A 91 15.243 5.298 8.763 1.00 0.00 C ATOM 1421 OG1 THR A 91 15.803 4.004 9.012 1.00 0.00 O ATOM 1422 CG2 THR A 91 13.956 5.461 9.557 1.00 0.00 C ATOM 0 H THR A 91 14.691 7.512 7.675 1.00 0.00 H new ATOM 0 HA THR A 91 15.821 5.059 6.697 1.00 0.00 H new ATOM 0 HB THR A 91 15.948 6.066 9.083 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.343 3.337 8.461 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.164 5.329 10.619 1.00 0.00 H new ATOM 0 HG22 THR A 91 13.548 6.458 9.389 1.00 0.00 H new ATOM 0 HG23 THR A 91 13.232 4.713 9.234 1.00 0.00 H new ATOM 1430 N ALA A 92 12.667 5.498 6.542 1.00 0.00 N ATOM 1431 CA ALA A 92 11.387 4.914 6.159 1.00 0.00 C ATOM 1432 C ALA A 92 10.580 5.879 5.297 1.00 0.00 C ATOM 1433 O ALA A 92 10.957 7.038 5.126 1.00 0.00 O ATOM 1434 CB ALA A 92 10.596 4.520 7.397 1.00 0.00 C ATOM 0 H ALA A 92 12.687 6.518 6.526 1.00 0.00 H new ATOM 0 HA ALA A 92 11.585 4.020 5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.643 4.085 7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.163 3.789 7.973 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.415 5.403 8.010 1.00 0.00 H new ATOM 1440 N SER A 93 9.467 5.392 4.756 1.00 0.00 N ATOM 1441 CA SER A 93 8.609 6.211 3.908 1.00 0.00 C ATOM 1442 C SER A 93 7.179 6.231 4.441 1.00 0.00 C ATOM 1443 O SER A 93 6.769 5.339 5.183 1.00 0.00 O ATOM 1444 CB SER A 93 8.622 5.683 2.472 1.00 0.00 C ATOM 1445 OG SER A 93 8.481 4.273 2.446 1.00 0.00 O ATOM 0 H SER A 93 9.139 4.435 4.890 1.00 0.00 H new ATOM 0 HA SER A 93 8.997 7.230 3.917 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.813 6.143 1.905 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.555 5.967 1.985 1.00 0.00 H new ATOM 0 HG SER A 93 7.832 4.022 1.756 1.00 0.00 H new ATOM 1451 N MET A 94 6.426 7.256 4.057 1.00 0.00 N ATOM 1452 CA MET A 94 5.042 7.394 4.495 1.00 0.00 C ATOM 1453 C MET A 94 4.154 7.871 3.350 1.00 0.00 C ATOM 1454 O MET A 94 4.411 8.912 2.744 1.00 0.00 O ATOM 1455 CB MET A 94 4.950 8.371 5.668 1.00 0.00 C ATOM 1456 CG MET A 94 3.713 8.173 6.529 1.00 0.00 C ATOM 1457 SD MET A 94 3.146 9.705 7.293 1.00 0.00 S ATOM 1458 CE MET A 94 2.158 10.398 5.969 1.00 0.00 C ATOM 0 H MET A 94 6.751 8.003 3.443 1.00 0.00 H new ATOM 0 HA MET A 94 4.691 6.414 4.820 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.838 8.262 6.291 1.00 0.00 H new ATOM 0 HB3 MET A 94 4.955 9.390 5.282 1.00 0.00 H new ATOM 0 HG2 MET A 94 2.912 7.758 5.917 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.930 7.442 7.308 1.00 0.00 H new ATOM 0 HE1 MET A 94 1.737 11.351 6.289 1.00 0.00 H new ATOM 0 HE2 MET A 94 2.785 10.555 5.091 1.00 0.00 H new ATOM 0 HE3 MET A 94 1.350 9.710 5.720 1.00 0.00 H new ATOM 1468 N CYS A 95 3.110 7.103 3.058 1.00 0.00 N ATOM 1469 CA CYS A 95 2.184 7.448 1.984 1.00 0.00 C ATOM 1470 C CYS A 95 0.742 7.185 2.404 1.00 0.00 C ATOM 1471 O CYS A 95 0.483 6.398 3.314 1.00 0.00 O ATOM 1472 CB CYS A 95 2.514 6.648 0.722 1.00 0.00 C ATOM 1473 SG CYS A 95 1.167 6.580 -0.482 1.00 0.00 S ATOM 0 H CYS A 95 2.883 6.238 3.549 1.00 0.00 H new ATOM 0 HA CYS A 95 2.293 8.511 1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.391 7.087 0.246 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.782 5.631 1.009 1.00 0.00 H new ATOM 0 HG CYS A 95 0.344 5.626 -0.159 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.194 7.852 1.736 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.611 7.692 2.041 1.00 0.00 C ATOM 1481 C VAL A 96 -2.389 7.236 0.811 1.00 0.00 C ATOM 1482 O VAL A 96 -2.055 7.597 -0.317 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.224 9.004 2.566 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.667 8.785 2.996 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.395 9.557 3.714 1.00 0.00 C ATOM 0 H VAL A 96 0.003 8.508 0.980 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.684 6.930 2.817 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.218 9.736 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.083 9.723 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.252 8.438 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.701 8.037 3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.843 10.484 4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.367 8.830 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.380 9.754 3.368 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.430 6.442 1.038 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.257 5.935 -0.052 1.00 0.00 C ATOM 1497 C PHE A 97 -5.712 6.355 0.130 1.00 0.00 C ATOM 1498 O PHE A 97 -6.322 6.086 1.165 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.159 4.410 -0.128 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.839 3.919 -0.650 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.672 4.143 0.062 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.766 3.234 -1.851 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.456 3.693 -0.416 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.553 2.781 -2.335 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.396 3.010 -1.616 1.00 0.00 C ATOM 0 H PHE A 97 -3.721 6.136 1.966 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.888 6.362 -0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.325 3.993 0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.957 4.034 -0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.713 4.675 1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.668 3.051 -2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.447 3.875 0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.510 2.249 -3.274 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.553 2.656 -1.991 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.263 7.015 -0.883 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.646 7.474 -0.836 1.00 0.00 C ATOM 1517 C ARG A 98 -8.449 6.901 -2.000 1.00 0.00 C ATOM 1518 O ARG A 98 -7.882 6.421 -2.982 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.700 9.002 -0.868 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.438 9.592 -2.244 1.00 0.00 C ATOM 1521 CD ARG A 98 -7.827 11.061 -2.304 1.00 0.00 C ATOM 1522 NE ARG A 98 -7.759 11.590 -3.664 1.00 0.00 N ATOM 1523 CZ ARG A 98 -8.296 12.749 -4.029 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -8.937 13.496 -3.141 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -8.192 13.163 -5.285 1.00 0.00 N ATOM 0 H ARG A 98 -5.772 7.244 -1.747 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.088 7.121 0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.680 9.330 -0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.966 9.398 -0.166 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.382 9.484 -2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.000 9.035 -2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.839 11.184 -1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.166 11.638 -1.657 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.273 11.040 -4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.019 13.181 -2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.348 14.385 -3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.699 12.591 -5.971 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.605 14.053 -5.564 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.772 6.954 -1.882 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.654 6.441 -2.924 1.00 0.00 C ATOM 1541 C HIS A 99 -11.044 7.547 -3.899 1.00 0.00 C ATOM 1542 O HIS A 99 -11.255 8.694 -3.502 1.00 0.00 O ATOM 1543 CB HIS A 99 -11.908 5.826 -2.303 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.770 5.099 -3.289 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -13.156 5.643 -4.496 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.319 3.863 -3.242 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -13.907 4.773 -5.148 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -14.021 3.685 -4.409 1.00 0.00 N ATOM 0 H HIS A 99 -10.257 7.347 -1.075 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.115 5.670 -3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.611 5.135 -1.514 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.495 6.615 -1.832 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -13.223 3.150 -2.437 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -14.352 4.926 -6.120 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.545 2.848 -4.663 1.00 0.00 H new