USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.05) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0.093 (180deg=0.093) USER MOD Single : A 22 ASN : amide:sc= -0.982 K(o=-0.98,f=-7.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 81:sc= 1.32 USER MOD Single : A 29 ASN : amide:sc= -21.1! C(o=-21!,f=-22!) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= -0.602 (180deg=-0.778) USER MOD Single : A 37 SER OG : rot -162:sc= -0.729! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.74 K(o=-2.7,f=-8.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.37 K(o=-1.4,f=0.00047) USER MOD Single : A 61 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= -0.0308 (180deg=-0.293) USER MOD Single : A 68 ASN : amide:sc= -0.0843 K(o=-0.084,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.315 -6.329 1.438 1.00 0.00 N ATOM 121 CA LEU A 9 -8.723 -5.226 2.177 1.00 0.00 C ATOM 122 C LEU A 9 -8.369 -4.097 1.229 1.00 0.00 C ATOM 123 O LEU A 9 -7.891 -4.333 0.122 1.00 0.00 O ATOM 124 CB LEU A 9 -7.475 -5.692 2.931 1.00 0.00 C ATOM 125 CG LEU A 9 -7.730 -6.729 4.027 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.567 -7.705 4.121 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.962 -6.042 5.364 1.00 0.00 C ATOM 0 HA LEU A 9 -9.450 -4.865 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.770 -6.111 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.994 -4.823 3.379 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.627 -7.291 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.767 -8.435 4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.447 -8.221 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.653 -7.160 4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.142 -6.793 6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.083 -5.455 5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.828 -5.384 5.290 1.00 0.00 H new ATOM 139 N TYR A 10 -8.601 -2.869 1.664 1.00 0.00 N ATOM 140 CA TYR A 10 -8.299 -1.715 0.842 1.00 0.00 C ATOM 141 C TYR A 10 -7.001 -1.072 1.296 1.00 0.00 C ATOM 142 O TYR A 10 -6.949 -0.404 2.328 1.00 0.00 O ATOM 143 CB TYR A 10 -9.448 -0.710 0.894 1.00 0.00 C ATOM 144 CG TYR A 10 -10.800 -1.338 0.632 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.167 -1.727 -0.648 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.707 -1.543 1.662 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.398 -2.302 -0.897 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.940 -2.118 1.423 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.281 -2.495 0.141 1.00 0.00 C ATOM 150 OH TYR A 10 -14.508 -3.067 -0.101 1.00 0.00 O ATOM 0 H TYR A 10 -8.996 -2.649 2.578 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.178 -2.042 -0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.460 -0.232 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.270 0.074 0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.477 -1.577 -1.465 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.445 -1.248 2.667 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.666 -2.598 -1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.634 -2.272 2.236 1.00 0.00 H new ATOM 0 HH TYR A 10 -15.009 -3.133 0.738 1.00 0.00 H new ATOM 160 N LYS A 11 -5.952 -1.275 0.509 1.00 0.00 N ATOM 161 CA LYS A 11 -4.644 -0.710 0.823 1.00 0.00 C ATOM 162 C LYS A 11 -4.120 0.110 -0.350 1.00 0.00 C ATOM 163 O LYS A 11 -4.533 -0.100 -1.491 1.00 0.00 O ATOM 164 CB LYS A 11 -3.652 -1.822 1.169 1.00 0.00 C ATOM 165 CG LYS A 11 -4.202 -2.845 2.152 1.00 0.00 C ATOM 166 CD LYS A 11 -3.862 -4.267 1.731 1.00 0.00 C ATOM 167 CE LYS A 11 -2.700 -4.826 2.536 1.00 0.00 C ATOM 168 NZ LYS A 11 -3.084 -6.056 3.283 1.00 0.00 N ATOM 0 H LYS A 11 -5.980 -1.825 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.753 -0.054 1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.358 -2.333 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.750 -1.376 1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.795 -2.652 3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.284 -2.735 2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.736 -4.905 1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.612 -4.283 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.870 -5.052 1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.347 -4.070 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.265 -6.406 3.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.859 -5.835 3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.397 -6.786 2.612 1.00 0.00 H new ATOM 182 N VAL A 12 -3.208 1.040 -0.075 1.00 0.00 N ATOM 183 CA VAL A 12 -2.645 1.870 -1.135 1.00 0.00 C ATOM 184 C VAL A 12 -1.179 1.505 -1.365 1.00 0.00 C ATOM 185 O VAL A 12 -0.437 1.303 -0.415 1.00 0.00 O ATOM 186 CB VAL A 12 -2.762 3.390 -0.835 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.258 4.140 -2.057 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.693 3.676 0.339 1.00 0.00 C ATOM 0 H VAL A 12 -2.848 1.236 0.859 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.228 1.670 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.762 3.734 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.333 5.203 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.559 3.996 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.239 3.761 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.743 4.751 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.690 3.298 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.312 3.183 1.234 1.00 0.00 H new ATOM 198 N GLN A 13 -0.773 1.396 -2.627 1.00 0.00 N ATOM 199 CA GLN A 13 0.607 1.032 -2.958 1.00 0.00 C ATOM 200 C GLN A 13 1.205 1.988 -3.983 1.00 0.00 C ATOM 201 O GLN A 13 0.556 2.346 -4.965 1.00 0.00 O ATOM 202 CB GLN A 13 0.660 -0.401 -3.492 1.00 0.00 C ATOM 203 CG GLN A 13 2.070 -0.965 -3.576 1.00 0.00 C ATOM 204 CD GLN A 13 2.375 -1.578 -4.929 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.880 -2.697 -5.017 1.00 0.00 O ATOM 206 NE2 GLN A 13 2.069 -0.845 -5.993 1.00 0.00 N ATOM 0 H GLN A 13 -1.374 1.553 -3.436 1.00 0.00 H new ATOM 0 HA GLN A 13 1.198 1.102 -2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.058 -1.043 -2.848 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.207 -0.428 -4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.788 -0.170 -3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.202 -1.720 -2.801 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.651 0.078 -5.874 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.251 -1.205 -6.930 1.00 0.00 H new ATOM 215 N ILE A 14 2.444 2.415 -3.742 1.00 0.00 N ATOM 216 CA ILE A 14 3.112 3.347 -4.646 1.00 0.00 C ATOM 217 C ILE A 14 4.201 2.682 -5.489 1.00 0.00 C ATOM 218 O ILE A 14 4.754 3.319 -6.386 1.00 0.00 O ATOM 219 CB ILE A 14 3.724 4.535 -3.881 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.631 4.026 -2.753 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.625 5.444 -3.354 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.143 4.353 -1.358 1.00 0.00 C ATOM 0 H ILE A 14 3.001 2.133 -2.935 1.00 0.00 H new ATOM 0 HA ILE A 14 2.334 3.707 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 14 4.340 5.123 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.731 2.945 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.626 4.451 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.071 6.280 -2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.035 5.824 -4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.979 4.881 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.845 3.956 -0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.071 5.434 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.162 3.905 -1.201 1.00 0.00 H new ATOM 234 N GLY A 15 4.504 1.408 -5.231 1.00 0.00 N ATOM 235 CA GLY A 15 5.522 0.744 -6.033 1.00 0.00 C ATOM 236 C GLY A 15 6.186 -0.441 -5.356 1.00 0.00 C ATOM 237 O GLY A 15 5.928 -0.739 -4.191 1.00 0.00 O ATOM 0 H GLY A 15 4.076 0.837 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.069 0.406 -6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.289 1.472 -6.297 1.00 0.00 H new ATOM 241 N ALA A 16 7.076 -1.095 -6.106 1.00 0.00 N ATOM 242 CA ALA A 16 7.843 -2.237 -5.621 1.00 0.00 C ATOM 243 C ALA A 16 9.176 -2.302 -6.365 1.00 0.00 C ATOM 244 O ALA A 16 9.238 -1.983 -7.553 1.00 0.00 O ATOM 245 CB ALA A 16 7.061 -3.533 -5.799 1.00 0.00 C ATOM 0 H ALA A 16 7.284 -0.843 -7.072 1.00 0.00 H new ATOM 0 HA ALA A 16 8.033 -2.112 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.654 -4.370 -5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.128 -3.475 -5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.841 -3.683 -6.856 1.00 0.00 H new ATOM 251 N PHE A 17 10.243 -2.705 -5.682 1.00 0.00 N ATOM 252 CA PHE A 17 11.555 -2.788 -6.322 1.00 0.00 C ATOM 253 C PHE A 17 12.390 -3.916 -5.732 1.00 0.00 C ATOM 254 O PHE A 17 12.262 -4.248 -4.555 1.00 0.00 O ATOM 255 CB PHE A 17 12.310 -1.465 -6.177 1.00 0.00 C ATOM 256 CG PHE A 17 11.446 -0.251 -6.363 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.783 0.310 -5.286 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.304 0.328 -7.613 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.990 1.430 -5.453 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.513 1.448 -7.786 1.00 0.00 C ATOM 261 CZ PHE A 17 9.855 1.999 -6.705 1.00 0.00 C ATOM 0 H PHE A 17 10.229 -2.976 -4.699 1.00 0.00 H new ATOM 0 HA PHE A 17 11.389 -2.995 -7.379 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.768 -1.425 -5.189 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.120 -1.438 -6.906 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.886 -0.131 -4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.817 -0.100 -8.462 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.476 1.860 -4.606 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.410 1.891 -8.765 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.235 2.874 -6.838 1.00 0.00 H new ATOM 271 N LYS A 18 13.257 -4.492 -6.559 1.00 0.00 N ATOM 272 CA LYS A 18 14.125 -5.579 -6.124 1.00 0.00 C ATOM 273 C LYS A 18 15.057 -5.134 -4.998 1.00 0.00 C ATOM 274 O LYS A 18 15.678 -5.966 -4.335 1.00 0.00 O ATOM 275 CB LYS A 18 14.946 -6.104 -7.302 1.00 0.00 C ATOM 276 CG LYS A 18 15.582 -5.004 -8.138 1.00 0.00 C ATOM 277 CD LYS A 18 14.795 -4.748 -9.414 1.00 0.00 C ATOM 278 CE LYS A 18 15.718 -4.500 -10.597 1.00 0.00 C ATOM 279 NZ LYS A 18 16.001 -3.051 -10.787 1.00 0.00 N ATOM 0 H LYS A 18 13.377 -4.223 -7.536 1.00 0.00 H new ATOM 0 HA LYS A 18 13.490 -6.378 -5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.729 -6.761 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.303 -6.709 -7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.637 -4.086 -7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.605 -5.283 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.153 -5.603 -9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.142 -3.887 -9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.655 -5.036 -10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.264 -4.903 -11.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.633 -2.925 -11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.110 -2.543 -10.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.458 -2.672 -9.933 1.00 0.00 H new ATOM 293 N VAL A 19 15.164 -3.824 -4.789 1.00 0.00 N ATOM 294 CA VAL A 19 16.033 -3.292 -3.749 1.00 0.00 C ATOM 295 C VAL A 19 15.240 -2.765 -2.556 1.00 0.00 C ATOM 296 O VAL A 19 14.357 -1.921 -2.704 1.00 0.00 O ATOM 297 CB VAL A 19 16.924 -2.159 -4.290 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.966 -1.755 -3.256 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.588 -2.577 -5.593 1.00 0.00 C ATOM 0 H VAL A 19 14.661 -3.116 -5.325 1.00 0.00 H new ATOM 0 HA VAL A 19 16.657 -4.123 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 19 16.294 -1.293 -4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.585 -0.953 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.466 -1.409 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.594 -2.614 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.214 -1.763 -5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.204 -3.459 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.822 -2.808 -6.334 1.00 0.00 H new ATOM 309 N LYS A 20 15.572 -3.273 -1.374 1.00 0.00 N ATOM 310 CA LYS A 20 14.915 -2.868 -0.141 1.00 0.00 C ATOM 311 C LYS A 20 15.240 -1.420 0.184 1.00 0.00 C ATOM 312 O LYS A 20 14.368 -0.663 0.600 1.00 0.00 O ATOM 313 CB LYS A 20 15.350 -3.772 1.013 1.00 0.00 C ATOM 314 CG LYS A 20 14.585 -3.522 2.303 1.00 0.00 C ATOM 315 CD LYS A 20 15.400 -2.693 3.284 1.00 0.00 C ATOM 316 CE LYS A 20 14.514 -1.775 4.110 1.00 0.00 C ATOM 317 NZ LYS A 20 15.262 -1.140 5.230 1.00 0.00 N ATOM 0 H LYS A 20 16.302 -3.974 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 20 13.838 -2.963 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.218 -4.813 0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.414 -3.625 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.651 -3.007 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.322 -4.475 2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.957 -3.356 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.133 -2.099 2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.096 -1.000 3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.675 -2.344 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.622 -0.522 5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.640 -1.878 5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.047 -0.576 4.847 1.00 0.00 H new ATOM 331 N ALA A 21 16.497 -1.031 -0.021 1.00 0.00 N ATOM 332 CA ALA A 21 16.914 0.341 0.240 1.00 0.00 C ATOM 333 C ALA A 21 16.069 1.304 -0.580 1.00 0.00 C ATOM 334 O ALA A 21 15.781 2.422 -0.151 1.00 0.00 O ATOM 335 CB ALA A 21 18.391 0.517 -0.081 1.00 0.00 C ATOM 0 H ALA A 21 17.238 -1.643 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 21 16.767 0.560 1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.687 1.547 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.981 -0.157 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.565 0.288 -1.132 1.00 0.00 H new ATOM 341 N ASN A 22 15.650 0.842 -1.754 1.00 0.00 N ATOM 342 CA ASN A 22 14.811 1.640 -2.630 1.00 0.00 C ATOM 343 C ASN A 22 13.379 1.614 -2.119 1.00 0.00 C ATOM 344 O ASN A 22 12.658 2.611 -2.200 1.00 0.00 O ATOM 345 CB ASN A 22 14.871 1.109 -4.063 1.00 0.00 C ATOM 346 CG ASN A 22 16.131 1.543 -4.787 1.00 0.00 C ATOM 347 OD1 ASN A 22 17.062 0.759 -4.961 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.164 2.800 -5.212 1.00 0.00 N ATOM 0 H ASN A 22 15.880 -0.083 -2.118 1.00 0.00 H new ATOM 0 HA ASN A 22 15.176 2.667 -2.633 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.821 0.020 -4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.999 1.460 -4.615 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.985 3.150 -5.705 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.368 3.416 -5.045 1.00 0.00 H new ATOM 355 N ALA A 23 12.975 0.468 -1.572 1.00 0.00 N ATOM 356 CA ALA A 23 11.630 0.323 -1.030 1.00 0.00 C ATOM 357 C ALA A 23 11.489 1.090 0.286 1.00 0.00 C ATOM 358 O ALA A 23 10.381 1.395 0.724 1.00 0.00 O ATOM 359 CB ALA A 23 11.294 -1.147 -0.829 1.00 0.00 C ATOM 0 H ALA A 23 13.557 -0.366 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 23 10.926 0.745 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.286 -1.238 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.349 -1.667 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.006 -1.591 -0.134 1.00 0.00 H new ATOM 365 N ASP A 24 12.626 1.402 0.908 1.00 0.00 N ATOM 366 CA ASP A 24 12.642 2.136 2.167 1.00 0.00 C ATOM 367 C ASP A 24 12.567 3.635 1.915 1.00 0.00 C ATOM 368 O ASP A 24 11.904 4.367 2.648 1.00 0.00 O ATOM 369 CB ASP A 24 13.905 1.798 2.963 1.00 0.00 C ATOM 370 CG ASP A 24 13.616 1.564 4.434 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.957 0.554 4.756 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.050 2.393 5.262 1.00 0.00 O ATOM 0 H ASP A 24 13.551 1.155 0.556 1.00 0.00 H new ATOM 0 HA ASP A 24 11.769 1.839 2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.370 0.907 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.624 2.611 2.862 1.00 0.00 H new ATOM 377 N SER A 25 13.236 4.085 0.856 1.00 0.00 N ATOM 378 CA SER A 25 13.222 5.497 0.497 1.00 0.00 C ATOM 379 C SER A 25 11.813 5.896 0.084 1.00 0.00 C ATOM 380 O SER A 25 11.342 6.993 0.389 1.00 0.00 O ATOM 381 CB SER A 25 14.208 5.770 -0.642 1.00 0.00 C ATOM 382 OG SER A 25 15.356 6.451 -0.169 1.00 0.00 O ATOM 0 H SER A 25 13.791 3.495 0.236 1.00 0.00 H new ATOM 0 HA SER A 25 13.527 6.090 1.359 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.504 4.828 -1.104 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.721 6.365 -1.414 1.00 0.00 H new ATOM 0 HG SER A 25 15.971 6.612 -0.915 1.00 0.00 H new ATOM 388 N LEU A 26 11.142 4.979 -0.601 1.00 0.00 N ATOM 389 CA LEU A 26 9.778 5.198 -1.054 1.00 0.00 C ATOM 390 C LEU A 26 8.836 5.282 0.146 1.00 0.00 C ATOM 391 O LEU A 26 8.060 6.232 0.280 1.00 0.00 O ATOM 392 CB LEU A 26 9.359 4.059 -1.985 1.00 0.00 C ATOM 393 CG LEU A 26 7.964 4.183 -2.596 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.852 5.437 -3.447 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.641 2.951 -3.427 1.00 0.00 C ATOM 0 H LEU A 26 11.526 4.069 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 26 9.725 6.139 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.086 3.990 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.411 3.123 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 26 7.242 4.259 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.850 5.501 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.042 6.314 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.584 5.396 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.644 3.053 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.373 2.851 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.674 2.065 -2.793 1.00 0.00 H new ATOM 407 N ALA A 27 8.925 4.291 1.026 1.00 0.00 N ATOM 408 CA ALA A 27 8.098 4.260 2.226 1.00 0.00 C ATOM 409 C ALA A 27 8.326 5.513 3.068 1.00 0.00 C ATOM 410 O ALA A 27 7.461 5.925 3.839 1.00 0.00 O ATOM 411 CB ALA A 27 8.398 3.012 3.040 1.00 0.00 C ATOM 0 H ALA A 27 9.561 3.499 0.931 1.00 0.00 H new ATOM 0 HA ALA A 27 7.051 4.236 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.774 3.001 3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.188 2.127 2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.448 3.011 3.331 1.00 0.00 H new ATOM 417 N SER A 28 9.501 6.116 2.901 1.00 0.00 N ATOM 418 CA SER A 28 9.852 7.325 3.634 1.00 0.00 C ATOM 419 C SER A 28 9.068 8.520 3.101 1.00 0.00 C ATOM 420 O SER A 28 8.584 9.351 3.871 1.00 0.00 O ATOM 421 CB SER A 28 11.353 7.596 3.530 1.00 0.00 C ATOM 422 OG SER A 28 12.101 6.579 4.176 1.00 0.00 O ATOM 0 H SER A 28 10.225 5.785 2.263 1.00 0.00 H new ATOM 0 HA SER A 28 9.594 7.176 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.643 7.655 2.481 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.583 8.562 3.979 1.00 0.00 H new ATOM 0 HG SER A 28 12.187 5.807 3.579 1.00 0.00 H new ATOM 428 N ASN A 29 8.940 8.597 1.780 1.00 0.00 N ATOM 429 CA ASN A 29 8.207 9.690 1.152 1.00 0.00 C ATOM 430 C ASN A 29 6.766 9.723 1.647 1.00 0.00 C ATOM 431 O ASN A 29 6.251 10.778 2.021 1.00 0.00 O ATOM 432 CB ASN A 29 8.252 9.561 -0.381 1.00 0.00 C ATOM 433 CG ASN A 29 7.110 8.745 -0.963 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.938 9.063 -0.775 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.451 7.692 -1.685 1.00 0.00 N ATOM 0 H ASN A 29 9.332 7.919 1.127 1.00 0.00 H new ATOM 0 HA ASN A 29 8.685 10.629 1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.234 10.558 -0.821 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.198 9.102 -0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.729 7.110 -2.110 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.436 7.462 -1.817 1.00 0.00 H new ATOM 442 N ALA A 30 6.122 8.562 1.646 1.00 0.00 N ATOM 443 CA ALA A 30 4.741 8.460 2.094 1.00 0.00 C ATOM 444 C ALA A 30 4.618 8.884 3.548 1.00 0.00 C ATOM 445 O ALA A 30 3.670 9.575 3.928 1.00 0.00 O ATOM 446 CB ALA A 30 4.228 7.043 1.908 1.00 0.00 C ATOM 0 H ALA A 30 6.534 7.680 1.340 1.00 0.00 H new ATOM 0 HA ALA A 30 4.132 9.131 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.194 6.983 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.280 6.773 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.841 6.355 2.489 1.00 0.00 H new ATOM 452 N GLU A 31 5.585 8.472 4.361 1.00 0.00 N ATOM 453 CA GLU A 31 5.583 8.815 5.777 1.00 0.00 C ATOM 454 C GLU A 31 5.499 10.326 5.957 1.00 0.00 C ATOM 455 O GLU A 31 4.837 10.822 6.869 1.00 0.00 O ATOM 456 CB GLU A 31 6.840 8.273 6.462 1.00 0.00 C ATOM 457 CG GLU A 31 6.833 8.445 7.971 1.00 0.00 C ATOM 458 CD GLU A 31 8.229 8.552 8.551 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.947 7.530 8.569 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.608 9.659 8.989 1.00 0.00 O ATOM 0 H GLU A 31 6.377 7.902 4.064 1.00 0.00 H new ATOM 0 HA GLU A 31 4.709 8.357 6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.944 7.214 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.714 8.779 6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.267 9.340 8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.318 7.600 8.427 1.00 0.00 H new ATOM 467 N ALA A 32 6.171 11.052 5.068 1.00 0.00 N ATOM 468 CA ALA A 32 6.173 12.509 5.103 1.00 0.00 C ATOM 469 C ALA A 32 4.747 13.037 5.105 1.00 0.00 C ATOM 470 O ALA A 32 4.375 13.845 5.957 1.00 0.00 O ATOM 471 CB ALA A 32 6.948 13.066 3.917 1.00 0.00 C ATOM 0 H ALA A 32 6.724 10.651 4.311 1.00 0.00 H new ATOM 0 HA ALA A 32 6.664 12.836 6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.941 14.155 3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.977 12.708 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.482 12.734 2.989 1.00 0.00 H new ATOM 477 N LYS A 33 3.943 12.555 4.160 1.00 0.00 N ATOM 478 CA LYS A 33 2.550 12.966 4.084 1.00 0.00 C ATOM 479 C LYS A 33 1.831 12.538 5.355 1.00 0.00 C ATOM 480 O LYS A 33 0.873 13.174 5.792 1.00 0.00 O ATOM 481 CB LYS A 33 1.871 12.341 2.868 1.00 0.00 C ATOM 482 CG LYS A 33 2.167 13.065 1.568 1.00 0.00 C ATOM 483 CD LYS A 33 1.281 14.288 1.401 1.00 0.00 C ATOM 484 CE LYS A 33 2.028 15.434 0.736 1.00 0.00 C ATOM 485 NZ LYS A 33 1.122 16.292 -0.075 1.00 0.00 N ATOM 0 H LYS A 33 4.231 11.887 3.445 1.00 0.00 H new ATOM 0 HA LYS A 33 2.505 14.050 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.191 11.303 2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.793 12.329 3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.214 13.367 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.015 12.386 0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.408 14.027 0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.915 14.609 2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.515 16.041 1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.815 15.032 0.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.685 16.988 -0.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.587 15.699 -0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.460 16.789 0.554 1.00 0.00 H new ATOM 499 N GLY A 34 2.326 11.455 5.952 1.00 0.00 N ATOM 500 CA GLY A 34 1.755 10.950 7.178 1.00 0.00 C ATOM 501 C GLY A 34 1.018 9.643 6.979 1.00 0.00 C ATOM 502 O GLY A 34 0.046 9.357 7.678 1.00 0.00 O ATOM 0 H GLY A 34 3.119 10.919 5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.548 10.808 7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.069 11.691 7.588 1.00 0.00 H new ATOM 506 N PHE A 35 1.488 8.845 6.029 1.00 0.00 N ATOM 507 CA PHE A 35 0.875 7.557 5.749 1.00 0.00 C ATOM 508 C PHE A 35 1.671 6.430 6.388 1.00 0.00 C ATOM 509 O PHE A 35 2.864 6.572 6.659 1.00 0.00 O ATOM 510 CB PHE A 35 0.783 7.342 4.241 1.00 0.00 C ATOM 511 CG PHE A 35 0.239 8.529 3.503 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.701 9.361 4.090 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.681 8.817 2.228 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.193 10.459 3.413 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.194 9.915 1.543 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.745 10.736 2.137 1.00 0.00 C ATOM 0 H PHE A 35 2.291 9.068 5.441 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.128 7.552 6.175 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.774 7.106 3.854 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.149 6.478 4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.053 9.148 5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.415 8.178 1.760 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.926 11.099 3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.547 10.130 0.545 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.128 11.593 1.604 1.00 0.00 H new ATOM 526 N ASP A 36 1.007 5.307 6.612 1.00 0.00 N ATOM 527 CA ASP A 36 1.656 4.150 7.201 1.00 0.00 C ATOM 528 C ASP A 36 2.305 3.313 6.109 1.00 0.00 C ATOM 529 O ASP A 36 1.649 2.475 5.488 1.00 0.00 O ATOM 530 CB ASP A 36 0.646 3.307 7.982 1.00 0.00 C ATOM 531 CG ASP A 36 0.300 3.917 9.326 1.00 0.00 C ATOM 532 OD1 ASP A 36 1.180 3.932 10.214 1.00 0.00 O ATOM 533 OD2 ASP A 36 -0.848 4.378 9.493 1.00 0.00 O ATOM 0 H ASP A 36 0.019 5.174 6.394 1.00 0.00 H new ATOM 0 HA ASP A 36 2.425 4.493 7.893 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.264 3.196 7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.052 2.307 8.134 1.00 0.00 H new ATOM 538 N SER A 37 3.587 3.554 5.857 1.00 0.00 N ATOM 539 CA SER A 37 4.299 2.829 4.817 1.00 0.00 C ATOM 540 C SER A 37 4.732 1.460 5.310 1.00 0.00 C ATOM 541 O SER A 37 4.823 1.216 6.514 1.00 0.00 O ATOM 542 CB SER A 37 5.517 3.625 4.349 1.00 0.00 C ATOM 543 OG SER A 37 6.463 3.772 5.395 1.00 0.00 O ATOM 0 H SER A 37 4.150 4.242 6.357 1.00 0.00 H new ATOM 0 HA SER A 37 3.620 2.694 3.975 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.982 3.120 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.201 4.608 4.000 1.00 0.00 H new ATOM 0 HG SER A 37 7.075 4.507 5.182 1.00 0.00 H new ATOM 549 N ILE A 38 4.965 0.557 4.369 1.00 0.00 N ATOM 550 CA ILE A 38 5.353 -0.804 4.697 1.00 0.00 C ATOM 551 C ILE A 38 6.106 -1.453 3.538 1.00 0.00 C ATOM 552 O ILE A 38 5.733 -1.291 2.377 1.00 0.00 O ATOM 553 CB ILE A 38 4.103 -1.644 5.041 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.404 -3.146 4.972 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.960 -1.276 4.100 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.695 -3.954 6.037 1.00 0.00 C ATOM 0 H ILE A 38 4.891 0.745 3.369 1.00 0.00 H new ATOM 0 HA ILE A 38 6.015 -0.768 5.562 1.00 0.00 H new ATOM 0 HB ILE A 38 3.806 -1.419 6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.115 -3.521 3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.479 -3.298 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.080 -1.871 4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.725 -0.217 4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.257 -1.477 3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.954 -5.007 5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.002 -3.605 7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.617 -3.833 5.929 1.00 0.00 H new ATOM 568 N VAL A 39 7.164 -2.187 3.862 1.00 0.00 N ATOM 569 CA VAL A 39 7.964 -2.861 2.849 1.00 0.00 C ATOM 570 C VAL A 39 7.918 -4.374 3.033 1.00 0.00 C ATOM 571 O VAL A 39 8.373 -4.894 4.052 1.00 0.00 O ATOM 572 CB VAL A 39 9.431 -2.394 2.889 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.198 -2.947 1.698 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.507 -0.875 2.924 1.00 0.00 C ATOM 0 H VAL A 39 7.487 -2.330 4.819 1.00 0.00 H new ATOM 0 HA VAL A 39 7.535 -2.601 1.881 1.00 0.00 H new ATOM 0 HB VAL A 39 9.892 -2.778 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.233 -2.607 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.172 -4.036 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.739 -2.594 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.551 -0.563 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.030 -0.466 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.994 -0.505 3.812 1.00 0.00 H new ATOM 584 N LEU A 40 7.371 -5.083 2.045 1.00 0.00 N ATOM 585 CA LEU A 40 7.278 -6.533 2.119 1.00 0.00 C ATOM 586 C LEU A 40 8.170 -7.183 1.072 1.00 0.00 C ATOM 587 O LEU A 40 8.064 -6.891 -0.120 1.00 0.00 O ATOM 588 CB LEU A 40 5.823 -6.992 1.939 1.00 0.00 C ATOM 589 CG LEU A 40 5.630 -8.347 1.238 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.510 -9.420 1.872 1.00 0.00 C ATOM 591 CD2 LEU A 40 4.167 -8.760 1.280 1.00 0.00 C ATOM 0 H LEU A 40 6.989 -4.676 1.191 1.00 0.00 H new ATOM 0 HA LEU A 40 7.620 -6.845 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.354 -7.043 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.290 -6.231 1.370 1.00 0.00 H new ATOM 0 HG LEU A 40 5.931 -8.238 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.355 -10.369 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.557 -9.129 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.248 -9.530 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.046 -9.721 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.843 -8.847 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.562 -8.008 0.773 1.00 0.00 H new ATOM 682 N TYR A 46 10.775 -6.142 -3.501 1.00 0.00 N ATOM 683 CA TYR A 46 10.279 -5.487 -2.295 1.00 0.00 C ATOM 684 C TYR A 46 9.122 -4.560 -2.657 1.00 0.00 C ATOM 685 O TYR A 46 9.217 -3.783 -3.606 1.00 0.00 O ATOM 686 CB TYR A 46 11.392 -4.681 -1.618 1.00 0.00 C ATOM 687 CG TYR A 46 12.367 -5.524 -0.832 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.267 -6.358 -1.481 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.388 -5.489 0.556 1.00 0.00 C ATOM 690 CE1 TYR A 46 14.161 -7.132 -0.768 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.281 -6.261 1.276 1.00 0.00 C ATOM 692 CZ TYR A 46 14.164 -7.080 0.609 1.00 0.00 C ATOM 693 OH TYR A 46 15.054 -7.851 1.322 1.00 0.00 O ATOM 0 HA TYR A 46 9.934 -6.253 -1.600 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.939 -4.125 -2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.941 -3.947 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.268 -6.402 -2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.696 -4.848 1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.855 -7.776 -1.288 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.286 -6.222 2.355 1.00 0.00 H new ATOM 0 HH TYR A 46 14.926 -7.696 2.281 1.00 0.00 H new ATOM 703 N LYS A 47 8.030 -4.649 -1.910 1.00 0.00 N ATOM 704 CA LYS A 47 6.861 -3.817 -2.177 1.00 0.00 C ATOM 705 C LYS A 47 6.744 -2.678 -1.183 1.00 0.00 C ATOM 706 O LYS A 47 7.100 -2.815 -0.016 1.00 0.00 O ATOM 707 CB LYS A 47 5.591 -4.661 -2.150 1.00 0.00 C ATOM 708 CG LYS A 47 5.282 -5.306 -3.483 1.00 0.00 C ATOM 709 CD LYS A 47 6.319 -6.352 -3.836 1.00 0.00 C ATOM 710 CE LYS A 47 6.085 -7.644 -3.077 1.00 0.00 C ATOM 711 NZ LYS A 47 5.098 -8.525 -3.761 1.00 0.00 N ATOM 0 H LYS A 47 7.927 -5.284 -1.119 1.00 0.00 H new ATOM 0 HA LYS A 47 6.987 -3.385 -3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.693 -5.437 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.751 -4.034 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.294 -5.766 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.251 -4.543 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.290 -6.548 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.314 -5.970 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.030 -8.176 -2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.730 -7.414 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.969 -9.396 -3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.188 -8.029 -3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.447 -8.766 -4.710 1.00 0.00 H new ATOM 725 N VAL A 48 6.233 -1.553 -1.662 1.00 0.00 N ATOM 726 CA VAL A 48 6.053 -0.374 -0.831 1.00 0.00 C ATOM 727 C VAL A 48 4.585 0.044 -0.799 1.00 0.00 C ATOM 728 O VAL A 48 4.074 0.636 -1.751 1.00 0.00 O ATOM 729 CB VAL A 48 6.922 0.787 -1.341 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.677 2.052 -0.530 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.392 0.394 -1.305 1.00 0.00 C ATOM 0 H VAL A 48 5.934 -1.433 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 48 6.366 -0.624 0.183 1.00 0.00 H new ATOM 0 HB VAL A 48 6.644 0.999 -2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.305 2.857 -0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.629 2.339 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.922 1.867 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.999 1.223 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.680 0.155 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.551 -0.478 -1.940 1.00 0.00 H new ATOM 741 N GLN A 49 3.913 -0.281 0.302 1.00 0.00 N ATOM 742 CA GLN A 49 2.501 0.045 0.464 1.00 0.00 C ATOM 743 C GLN A 49 2.298 1.110 1.540 1.00 0.00 C ATOM 744 O GLN A 49 2.995 1.123 2.553 1.00 0.00 O ATOM 745 CB GLN A 49 1.714 -1.219 0.823 1.00 0.00 C ATOM 746 CG GLN A 49 0.215 -1.087 0.622 1.00 0.00 C ATOM 747 CD GLN A 49 -0.539 -2.338 1.026 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.759 -2.589 2.210 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.940 -3.133 0.039 1.00 0.00 N ATOM 0 H GLN A 49 4.325 -0.771 1.096 1.00 0.00 H new ATOM 0 HA GLN A 49 2.134 0.446 -0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.080 -2.048 0.217 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.910 -1.474 1.864 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.153 -0.242 1.204 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.011 -0.866 -0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.736 -2.886 -0.929 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.452 -3.990 0.250 1.00 0.00 H new ATOM 758 N ILE A 50 1.329 1.992 1.311 1.00 0.00 N ATOM 759 CA ILE A 50 1.019 3.054 2.255 1.00 0.00 C ATOM 760 C ILE A 50 -0.488 3.210 2.445 1.00 0.00 C ATOM 761 O ILE A 50 -1.237 3.425 1.494 1.00 0.00 O ATOM 762 CB ILE A 50 1.645 4.389 1.829 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.303 4.726 0.374 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.150 4.315 2.026 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.230 5.778 0.237 1.00 0.00 C ATOM 0 H ILE A 50 0.744 1.989 0.475 1.00 0.00 H new ATOM 0 HA ILE A 50 1.455 2.766 3.211 1.00 0.00 H new ATOM 0 HB ILE A 50 1.235 5.187 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.205 5.070 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.978 3.818 -0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.603 5.260 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.371 4.124 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.557 3.508 1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.039 5.967 -0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.685 5.429 0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.561 6.699 0.716 1.00 0.00 H new ATOM 777 N GLY A 51 -0.906 3.106 3.700 1.00 0.00 N ATOM 778 CA GLY A 51 -2.307 3.241 4.052 1.00 0.00 C ATOM 779 C GLY A 51 -3.106 1.975 3.805 1.00 0.00 C ATOM 780 O GLY A 51 -3.354 1.602 2.659 1.00 0.00 O ATOM 0 H GLY A 51 -0.289 2.928 4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.387 3.515 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.743 4.057 3.476 1.00 0.00 H new ATOM 784 N ALA A 52 -3.519 1.323 4.888 1.00 0.00 N ATOM 785 CA ALA A 52 -4.308 0.099 4.793 1.00 0.00 C ATOM 786 C ALA A 52 -5.505 0.168 5.735 1.00 0.00 C ATOM 787 O ALA A 52 -5.347 0.362 6.940 1.00 0.00 O ATOM 788 CB ALA A 52 -3.447 -1.114 5.115 1.00 0.00 C ATOM 0 H ALA A 52 -3.320 1.622 5.843 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.675 -0.000 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.050 -2.019 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.619 -1.170 4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.054 -1.023 6.128 1.00 0.00 H new ATOM 794 N PHE A 53 -6.706 0.027 5.181 1.00 0.00 N ATOM 795 CA PHE A 53 -7.923 0.092 5.984 1.00 0.00 C ATOM 796 C PHE A 53 -8.971 -0.902 5.497 1.00 0.00 C ATOM 797 O PHE A 53 -8.784 -1.578 4.484 1.00 0.00 O ATOM 798 CB PHE A 53 -8.504 1.510 5.953 1.00 0.00 C ATOM 799 CG PHE A 53 -7.464 2.594 5.923 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.697 2.802 4.787 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.254 3.404 7.028 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.740 3.799 4.756 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.298 4.401 7.001 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.539 4.599 5.863 1.00 0.00 C ATOM 0 H PHE A 53 -6.862 -0.132 4.186 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.655 -0.171 7.007 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.145 1.610 5.077 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.137 1.652 6.829 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.849 2.179 3.918 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.844 3.254 7.920 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.149 3.952 3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.144 5.025 7.869 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.791 5.377 5.840 1.00 0.00 H new ATOM 814 N SER A 54 -10.078 -0.978 6.230 1.00 0.00 N ATOM 815 CA SER A 54 -11.169 -1.881 5.885 1.00 0.00 C ATOM 816 C SER A 54 -12.132 -1.228 4.897 1.00 0.00 C ATOM 817 O SER A 54 -12.947 -1.908 4.276 1.00 0.00 O ATOM 818 CB SER A 54 -11.924 -2.302 7.148 1.00 0.00 C ATOM 819 OG SER A 54 -12.302 -3.667 7.083 1.00 0.00 O ATOM 0 H SER A 54 -10.242 -0.422 7.069 1.00 0.00 H new ATOM 0 HA SER A 54 -10.740 -2.764 5.411 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.296 -2.136 8.023 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.811 -1.681 7.270 1.00 0.00 H new ATOM 0 HG SER A 54 -12.781 -3.913 7.902 1.00 0.00 H new ATOM 825 N SER A 55 -12.038 0.093 4.755 1.00 0.00 N ATOM 826 CA SER A 55 -12.908 0.827 3.839 1.00 0.00 C ATOM 827 C SER A 55 -12.117 1.395 2.663 1.00 0.00 C ATOM 828 O SER A 55 -11.116 2.088 2.851 1.00 0.00 O ATOM 829 CB SER A 55 -13.623 1.958 4.581 1.00 0.00 C ATOM 830 OG SER A 55 -14.607 2.564 3.761 1.00 0.00 O ATOM 0 H SER A 55 -11.370 0.675 5.261 1.00 0.00 H new ATOM 0 HA SER A 55 -13.648 0.129 3.448 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.089 1.566 5.485 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.896 2.707 4.896 1.00 0.00 H new ATOM 0 HG SER A 55 -15.051 3.282 4.259 1.00 0.00 H new ATOM 836 N LYS A 56 -12.572 1.095 1.450 1.00 0.00 N ATOM 837 CA LYS A 56 -11.913 1.571 0.238 1.00 0.00 C ATOM 838 C LYS A 56 -11.785 3.091 0.241 1.00 0.00 C ATOM 839 O LYS A 56 -10.791 3.641 -0.235 1.00 0.00 O ATOM 840 CB LYS A 56 -12.687 1.117 -1.000 1.00 0.00 C ATOM 841 CG LYS A 56 -11.854 1.137 -2.271 1.00 0.00 C ATOM 842 CD LYS A 56 -12.107 2.398 -3.081 1.00 0.00 C ATOM 843 CE LYS A 56 -11.737 2.203 -4.544 1.00 0.00 C ATOM 844 NZ LYS A 56 -12.927 1.880 -5.378 1.00 0.00 N ATOM 0 H LYS A 56 -13.398 0.522 1.280 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.911 1.143 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.062 0.107 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.556 1.761 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.796 1.073 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.089 0.261 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.158 2.677 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.528 3.222 -2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.263 3.109 -4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.005 1.400 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.634 1.755 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.365 1.002 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.615 2.657 -5.317 1.00 0.00 H new ATOM 858 N ASP A 57 -12.794 3.769 0.778 1.00 0.00 N ATOM 859 CA ASP A 57 -12.790 5.227 0.841 1.00 0.00 C ATOM 860 C ASP A 57 -11.513 5.742 1.497 1.00 0.00 C ATOM 861 O ASP A 57 -11.039 6.833 1.186 1.00 0.00 O ATOM 862 CB ASP A 57 -14.013 5.730 1.612 1.00 0.00 C ATOM 863 CG ASP A 57 -14.342 7.175 1.293 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.585 8.066 1.734 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.355 7.417 0.606 1.00 0.00 O ATOM 0 H ASP A 57 -13.625 3.332 1.176 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.831 5.608 -0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.872 5.103 1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.832 5.629 2.682 1.00 0.00 H new ATOM 870 N ASN A 58 -10.962 4.945 2.405 1.00 0.00 N ATOM 871 CA ASN A 58 -9.737 5.319 3.104 1.00 0.00 C ATOM 872 C ASN A 58 -8.533 5.220 2.174 1.00 0.00 C ATOM 873 O ASN A 58 -7.732 6.149 2.078 1.00 0.00 O ATOM 874 CB ASN A 58 -9.529 4.426 4.329 1.00 0.00 C ATOM 875 CG ASN A 58 -10.403 4.833 5.498 1.00 0.00 C ATOM 876 OD1 ASN A 58 -9.905 5.204 6.561 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.717 4.767 5.309 1.00 0.00 N ATOM 0 H ASN A 58 -11.342 4.038 2.674 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.835 6.353 3.434 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.744 3.391 4.061 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.482 4.466 4.631 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.354 5.029 6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.088 4.454 4.412 1.00 0.00 H new ATOM 884 N ALA A 59 -8.416 4.087 1.489 1.00 0.00 N ATOM 885 CA ALA A 59 -7.315 3.865 0.559 1.00 0.00 C ATOM 886 C ALA A 59 -7.330 4.896 -0.560 1.00 0.00 C ATOM 887 O ALA A 59 -6.282 5.395 -0.962 1.00 0.00 O ATOM 888 CB ALA A 59 -7.387 2.458 -0.012 1.00 0.00 C ATOM 0 H ALA A 59 -9.071 3.308 1.561 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.378 3.975 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.560 2.304 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.321 1.732 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.332 2.327 -0.540 1.00 0.00 H new ATOM 894 N ASP A 60 -8.517 5.212 -1.065 1.00 0.00 N ATOM 895 CA ASP A 60 -8.652 6.187 -2.141 1.00 0.00 C ATOM 896 C ASP A 60 -8.118 7.549 -1.709 1.00 0.00 C ATOM 897 O ASP A 60 -7.317 8.165 -2.413 1.00 0.00 O ATOM 898 CB ASP A 60 -10.116 6.311 -2.566 1.00 0.00 C ATOM 899 CG ASP A 60 -10.505 5.278 -3.605 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.771 4.280 -3.755 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.544 5.469 -4.271 1.00 0.00 O ATOM 0 H ASP A 60 -9.398 4.808 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.064 5.838 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.756 6.201 -1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.292 7.309 -2.966 1.00 0.00 H new ATOM 906 N THR A 61 -8.563 8.013 -0.545 1.00 0.00 N ATOM 907 CA THR A 61 -8.125 9.300 -0.017 1.00 0.00 C ATOM 908 C THR A 61 -6.609 9.333 0.139 1.00 0.00 C ATOM 909 O THR A 61 -5.969 10.351 -0.122 1.00 0.00 O ATOM 910 CB THR A 61 -8.796 9.581 1.329 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.181 9.291 1.269 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.649 11.017 1.783 1.00 0.00 C ATOM 0 H THR A 61 -9.226 7.517 0.050 1.00 0.00 H new ATOM 0 HA THR A 61 -8.417 10.074 -0.726 1.00 0.00 H new ATOM 0 HB THR A 61 -8.287 8.936 2.045 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.330 8.354 1.513 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.147 11.148 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.591 11.259 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.102 11.680 1.046 1.00 0.00 H new ATOM 920 N LEU A 62 -6.042 8.205 0.551 1.00 0.00 N ATOM 921 CA LEU A 62 -4.600 8.083 0.731 1.00 0.00 C ATOM 922 C LEU A 62 -3.905 8.130 -0.602 1.00 0.00 C ATOM 923 O LEU A 62 -2.935 8.861 -0.802 1.00 0.00 O ATOM 924 CB LEU A 62 -4.266 6.734 1.353 1.00 0.00 C ATOM 925 CG LEU A 62 -3.019 6.717 2.234 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.867 7.402 1.522 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.301 7.388 3.569 1.00 0.00 C ATOM 0 H LEU A 62 -6.564 7.356 0.768 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.273 8.903 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.117 6.406 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.137 6.005 0.553 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.740 5.681 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.983 7.384 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.653 6.879 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.137 8.436 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.401 7.367 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.601 8.422 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.103 6.857 4.081 1.00 0.00 H new ATOM 939 N ALA A 63 -4.402 7.300 -1.505 1.00 0.00 N ATOM 940 CA ALA A 63 -3.831 7.190 -2.818 1.00 0.00 C ATOM 941 C ALA A 63 -3.726 8.556 -3.487 1.00 0.00 C ATOM 942 O ALA A 63 -2.635 9.017 -3.822 1.00 0.00 O ATOM 943 CB ALA A 63 -4.642 6.232 -3.676 1.00 0.00 C ATOM 0 H ALA A 63 -5.205 6.693 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.823 6.789 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.193 6.162 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.651 5.246 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.664 6.600 -3.766 1.00 0.00 H new ATOM 949 N ALA A 64 -4.878 9.201 -3.673 1.00 0.00 N ATOM 950 CA ALA A 64 -4.930 10.520 -4.293 1.00 0.00 C ATOM 951 C ALA A 64 -3.982 11.482 -3.591 1.00 0.00 C ATOM 952 O ALA A 64 -3.359 12.332 -4.227 1.00 0.00 O ATOM 953 CB ALA A 64 -6.351 11.060 -4.271 1.00 0.00 C ATOM 0 H ALA A 64 -5.788 8.828 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.612 10.425 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.373 12.045 -4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.006 10.384 -4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.694 11.139 -3.239 1.00 0.00 H new ATOM 959 N ARG A 65 -3.865 11.329 -2.276 1.00 0.00 N ATOM 960 CA ARG A 65 -2.977 12.170 -1.489 1.00 0.00 C ATOM 961 C ARG A 65 -1.532 11.908 -1.889 1.00 0.00 C ATOM 962 O ARG A 65 -0.719 12.828 -1.964 1.00 0.00 O ATOM 963 CB ARG A 65 -3.173 11.888 -0.001 1.00 0.00 C ATOM 964 CG ARG A 65 -2.921 13.092 0.890 1.00 0.00 C ATOM 965 CD ARG A 65 -3.396 12.835 2.311 1.00 0.00 C ATOM 966 NE ARG A 65 -4.216 13.932 2.820 1.00 0.00 N ATOM 967 CZ ARG A 65 -5.052 13.817 3.850 1.00 0.00 C ATOM 968 NH1 ARG A 65 -5.183 12.657 4.483 1.00 0.00 N ATOM 969 NH2 ARG A 65 -5.761 14.865 4.247 1.00 0.00 N ATOM 0 H ARG A 65 -4.375 10.630 -1.735 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.213 13.217 -1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.191 11.535 0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.504 11.081 0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.856 13.326 0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.436 13.962 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.971 11.909 2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.533 12.695 2.962 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.144 14.839 2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.641 11.847 4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.825 12.576 5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.666 15.758 3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.402 14.778 5.036 1.00 0.00 H new ATOM 983 N ALA A 66 -1.227 10.642 -2.160 1.00 0.00 N ATOM 984 CA ALA A 66 0.110 10.253 -2.572 1.00 0.00 C ATOM 985 C ALA A 66 0.427 10.864 -3.925 1.00 0.00 C ATOM 986 O ALA A 66 1.525 11.371 -4.148 1.00 0.00 O ATOM 987 CB ALA A 66 0.239 8.740 -2.615 1.00 0.00 C ATOM 0 H ALA A 66 -1.891 9.870 -2.100 1.00 0.00 H new ATOM 0 HA ALA A 66 0.829 10.626 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.248 8.470 -2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.042 8.330 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.481 8.334 -3.326 1.00 0.00 H new ATOM 993 N LYS A 67 -0.556 10.837 -4.819 1.00 0.00 N ATOM 994 CA LYS A 67 -0.388 11.412 -6.143 1.00 0.00 C ATOM 995 C LYS A 67 -0.122 12.904 -6.021 1.00 0.00 C ATOM 996 O LYS A 67 0.799 13.439 -6.638 1.00 0.00 O ATOM 997 CB LYS A 67 -1.631 11.164 -6.997 1.00 0.00 C ATOM 998 CG LYS A 67 -1.829 9.706 -7.381 1.00 0.00 C ATOM 999 CD LYS A 67 -3.260 9.435 -7.816 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.410 8.040 -8.401 1.00 0.00 C ATOM 1001 NZ LYS A 67 -2.656 7.887 -9.677 1.00 0.00 N ATOM 0 H LYS A 67 -1.473 10.424 -4.649 1.00 0.00 H new ATOM 0 HA LYS A 67 0.462 10.935 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.510 11.509 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.563 11.763 -7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.146 9.445 -8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.578 9.068 -6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.928 9.546 -6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.563 10.176 -8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.055 7.304 -7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.465 7.832 -8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.002 7.049 -10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.796 8.732 -10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.643 7.773 -9.470 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.924 13.565 -5.192 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.769 14.990 -4.951 1.00 0.00 C ATOM 1017 C ASN A 68 0.502 15.241 -4.147 1.00 0.00 C ATOM 1018 O ASN A 68 1.095 16.319 -4.214 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.985 15.532 -4.197 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.202 17.013 -4.434 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -1.425 17.662 -5.136 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -3.262 17.557 -3.848 1.00 0.00 N ATOM 0 H ASN A 68 -1.690 13.132 -4.676 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.693 15.507 -5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.875 14.984 -4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.856 15.353 -3.130 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.459 18.550 -3.971 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.879 16.982 -3.275 1.00 0.00 H new ATOM 1029 N ALA A 69 0.911 14.228 -3.387 1.00 0.00 N ATOM 1030 CA ALA A 69 2.107 14.307 -2.563 1.00 0.00 C ATOM 1031 C ALA A 69 3.369 14.171 -3.405 1.00 0.00 C ATOM 1032 O ALA A 69 4.444 14.621 -3.007 1.00 0.00 O ATOM 1033 CB ALA A 69 2.069 13.217 -1.503 1.00 0.00 C ATOM 0 H ALA A 69 0.423 13.334 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 69 2.128 15.285 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.966 13.278 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.188 13.350 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.026 12.241 -1.986 1.00 0.00 H new ATOM 1039 N GLY A 70 3.236 13.540 -4.566 1.00 0.00 N ATOM 1040 CA GLY A 70 4.373 13.342 -5.441 1.00 0.00 C ATOM 1041 C GLY A 70 4.742 11.879 -5.550 1.00 0.00 C ATOM 1042 O GLY A 70 5.889 11.534 -5.837 1.00 0.00 O ATOM 0 H GLY A 70 2.356 13.161 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.144 13.735 -6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.226 13.906 -5.064 1.00 0.00 H new ATOM 1046 N PHE A 71 3.763 11.014 -5.303 1.00 0.00 N ATOM 1047 CA PHE A 71 3.972 9.577 -5.354 1.00 0.00 C ATOM 1048 C PHE A 71 2.872 8.923 -6.180 1.00 0.00 C ATOM 1049 O PHE A 71 1.745 9.408 -6.211 1.00 0.00 O ATOM 1050 CB PHE A 71 3.966 9.000 -3.938 1.00 0.00 C ATOM 1051 CG PHE A 71 4.479 9.956 -2.895 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.715 10.563 -3.044 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.721 10.254 -1.771 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.188 11.447 -2.092 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.188 11.138 -0.818 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.424 11.735 -0.978 1.00 0.00 C ATOM 0 H PHE A 71 2.811 11.290 -5.064 1.00 0.00 H new ATOM 0 HA PHE A 71 4.937 9.375 -5.819 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.949 8.705 -3.679 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.575 8.096 -3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.316 10.343 -3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.755 9.789 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.154 11.912 -2.219 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.588 11.362 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.792 12.425 -0.233 1.00 0.00 H new ATOM 1066 N ASP A 72 3.194 7.825 -6.846 1.00 0.00 N ATOM 1067 CA ASP A 72 2.210 7.127 -7.662 1.00 0.00 C ATOM 1068 C ASP A 72 1.528 6.021 -6.862 1.00 0.00 C ATOM 1069 O ASP A 72 1.781 4.840 -7.088 1.00 0.00 O ATOM 1070 CB ASP A 72 2.875 6.538 -8.907 1.00 0.00 C ATOM 1071 CG ASP A 72 1.869 5.942 -9.872 1.00 0.00 C ATOM 1072 OD1 ASP A 72 1.515 4.756 -9.704 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.438 6.661 -10.799 1.00 0.00 O ATOM 0 H ASP A 72 4.121 7.400 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 72 1.452 7.847 -7.971 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.444 7.317 -9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.586 5.768 -8.606 1.00 0.00 H new ATOM 1078 N ALA A 73 0.659 6.407 -5.927 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.049 5.431 -5.107 1.00 0.00 C ATOM 1080 C ALA A 73 -1.340 4.967 -5.772 1.00 0.00 C ATOM 1081 O ALA A 73 -2.029 5.744 -6.433 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.355 6.008 -3.735 1.00 0.00 C ATOM 0 H ALA A 73 0.432 7.380 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 73 0.605 4.566 -4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.884 5.265 -3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.577 6.278 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.978 6.896 -3.844 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.661 3.697 -5.572 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.872 3.107 -6.123 1.00 0.00 C ATOM 1090 C ILE A 74 -3.587 2.302 -5.048 1.00 0.00 C ATOM 1091 O ILE A 74 -2.968 1.879 -4.075 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.567 2.194 -7.327 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.611 1.070 -6.918 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.978 3.009 -8.470 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -2.290 -0.273 -6.766 1.00 0.00 C ATOM 0 H ILE A 74 -1.093 3.049 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.509 3.921 -6.469 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.499 1.743 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.821 0.986 -7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.133 1.335 -5.975 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.767 2.352 -9.314 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.691 3.775 -8.775 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.054 3.484 -8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.554 -1.022 -6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.062 -0.206 -5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.745 -0.560 -7.714 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.883 2.085 -5.219 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.654 1.323 -4.244 1.00 0.00 C ATOM 1109 C VAL A 75 -6.064 -0.031 -4.809 1.00 0.00 C ATOM 1110 O VAL A 75 -6.523 -0.130 -5.947 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.906 2.095 -3.781 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.768 1.238 -2.861 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.499 3.386 -3.083 1.00 0.00 C ATOM 0 H VAL A 75 -5.421 2.422 -6.017 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.009 1.166 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.499 2.344 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.644 1.807 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.087 0.342 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.190 0.952 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.392 3.922 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.883 3.152 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.931 4.009 -3.773 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.892 -1.074 -4.003 1.00 0.00 N ATOM 1124 CA ILE A 76 -6.242 -2.423 -4.420 1.00 0.00 C ATOM 1125 C ILE A 76 -7.017 -3.157 -3.332 1.00 0.00 C ATOM 1126 O ILE A 76 -6.731 -3.008 -2.138 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.987 -3.242 -4.780 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.937 -3.121 -3.673 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.415 -2.785 -6.114 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -3.225 -4.420 -3.369 1.00 0.00 C ATOM 0 H ILE A 76 -5.513 -1.009 -3.058 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.872 -2.324 -5.304 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.272 -4.290 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.200 -2.372 -3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.419 -2.759 -2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.530 -3.375 -6.351 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.162 -2.921 -6.896 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.143 -1.731 -6.052 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.496 -4.258 -2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.951 -5.167 -3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.714 -4.773 -4.265 1.00 0.00 H new