USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 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 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 83 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 43 ASN : amide:sc= -1.59 K(o=-1.6,f=-5.5!) USER MOD Set 2.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 19 LYS NZ :NH3+ -128:sc= -0.559 (180deg=-1.11) USER MOD Set 3.2: A 25 HIS : no HD1:sc= -7.8! C(o=-8.4!,f=-8.3!) USER MOD Single : A 10 TYR OH : rot -173:sc= -1.18 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.34 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -106:sc= 0.666 USER MOD Single : A 33 MET CE :methyl -99:sc= -0.038 (180deg=-0.982) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 59:sc= -8.85! USER MOD Single : A 46 GLN : amide:sc= -2.97 K(o=-3,f=-4.4!) USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 53 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.01) USER MOD Single : A 55 THR OG1 : rot -178:sc= -1.01! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.524 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.73 F(o=-5.3!,f=-0.73) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= -6.64! C(o=-10!,f=-6.6!) USER MOD Single : A 92 ASN : amide:sc= -2.58! C(o=-2.6!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 10 -5.924 5.211 9.937 1.00 0.00 N ATOM 157 CA TYR A 10 -5.511 5.082 8.551 1.00 0.00 C ATOM 158 C TYR A 10 -6.721 5.105 7.613 1.00 0.00 C ATOM 159 O TYR A 10 -7.605 4.257 7.714 1.00 0.00 O ATOM 160 CB TYR A 10 -4.823 3.719 8.441 1.00 0.00 C ATOM 161 CG TYR A 10 -5.792 2.539 8.341 1.00 0.00 C ATOM 162 CD1 TYR A 10 -6.573 2.193 9.426 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.886 1.821 7.167 1.00 0.00 C ATOM 164 CE1 TYR A 10 -7.484 1.083 9.331 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.798 0.710 7.073 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.552 0.396 8.159 1.00 0.00 C ATOM 167 OH TYR A 10 -8.413 -0.653 8.071 1.00 0.00 O ATOM 0 HA TYR A 10 -4.856 5.906 8.268 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.176 3.720 7.564 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.181 3.576 9.310 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.500 2.755 10.345 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.276 2.092 6.318 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.100 0.802 10.172 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.881 0.139 6.160 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.277 -1.117 7.219 1.00 0.00 H new ATOM 177 N LYS A 11 -6.719 6.087 6.724 1.00 0.00 N ATOM 178 CA LYS A 11 -7.806 6.233 5.769 1.00 0.00 C ATOM 179 C LYS A 11 -7.227 6.548 4.388 1.00 0.00 C ATOM 180 O LYS A 11 -6.011 6.630 4.225 1.00 0.00 O ATOM 181 CB LYS A 11 -8.818 7.269 6.263 1.00 0.00 C ATOM 182 CG LYS A 11 -9.946 6.600 7.052 1.00 0.00 C ATOM 183 CD LYS A 11 -11.237 7.419 6.961 1.00 0.00 C ATOM 184 CE LYS A 11 -11.774 7.437 5.529 1.00 0.00 C ATOM 185 NZ LYS A 11 -13.061 6.710 5.450 1.00 0.00 N ATOM 0 H LYS A 11 -5.983 6.789 6.644 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.360 5.299 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.315 8.003 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.235 7.810 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.120 5.596 6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.651 6.493 8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.988 6.997 7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.049 8.439 7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.910 8.467 5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.049 6.979 4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.412 6.731 4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.921 5.723 5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.755 7.164 6.077 1.00 0.00 H new ATOM 199 N CYS A 12 -8.126 6.716 3.430 1.00 0.00 N ATOM 200 CA CYS A 12 -7.720 7.021 2.067 1.00 0.00 C ATOM 201 C CYS A 12 -6.571 8.031 2.123 1.00 0.00 C ATOM 202 O CYS A 12 -6.565 8.922 2.972 1.00 0.00 O ATOM 203 CB CYS A 12 -8.892 7.534 1.230 1.00 0.00 C ATOM 204 SG CYS A 12 -8.879 6.738 -0.419 1.00 0.00 S ATOM 0 H CYS A 12 -9.134 6.647 3.569 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.378 6.111 1.573 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.833 7.322 1.738 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.826 8.617 1.121 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.880 7.179 -1.122 1.00 0.00 H new ATOM 210 N GLY A 13 -5.629 7.858 1.209 1.00 0.00 N ATOM 211 CA GLY A 13 -4.478 8.743 1.144 1.00 0.00 C ATOM 212 C GLY A 13 -3.338 8.225 2.023 1.00 0.00 C ATOM 213 O GLY A 13 -2.295 8.867 2.133 1.00 0.00 O ATOM 0 H GLY A 13 -5.639 7.118 0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.137 8.827 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.765 9.744 1.467 1.00 0.00 H new ATOM 217 N ASP A 14 -3.576 7.071 2.627 1.00 0.00 N ATOM 218 CA ASP A 14 -2.581 6.461 3.493 1.00 0.00 C ATOM 219 C ASP A 14 -1.889 5.322 2.744 1.00 0.00 C ATOM 220 O ASP A 14 -2.550 4.440 2.199 1.00 0.00 O ATOM 221 CB ASP A 14 -3.230 5.876 4.749 1.00 0.00 C ATOM 222 CG ASP A 14 -2.415 4.789 5.454 1.00 0.00 C ATOM 223 OD1 ASP A 14 -1.222 5.057 5.718 1.00 0.00 O ATOM 224 OD2 ASP A 14 -3.000 3.715 5.709 1.00 0.00 O ATOM 0 H ASP A 14 -4.443 6.542 2.534 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.866 7.232 3.782 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.414 6.686 5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.201 5.462 4.478 1.00 0.00 H new ATOM 229 N LEU A 15 -0.565 5.376 2.742 1.00 0.00 N ATOM 230 CA LEU A 15 0.225 4.361 2.069 1.00 0.00 C ATOM 231 C LEU A 15 0.921 3.486 3.113 1.00 0.00 C ATOM 232 O LEU A 15 1.527 3.998 4.052 1.00 0.00 O ATOM 233 CB LEU A 15 1.187 5.005 1.066 1.00 0.00 C ATOM 234 CG LEU A 15 2.355 4.134 0.603 1.00 0.00 C ATOM 235 CD1 LEU A 15 3.550 4.269 1.549 1.00 0.00 C ATOM 236 CD2 LEU A 15 1.919 2.676 0.434 1.00 0.00 C ATOM 0 H LEU A 15 -0.020 6.108 3.197 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.419 3.706 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.616 5.308 0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.592 5.913 1.513 1.00 0.00 H new ATOM 0 HG LEU A 15 2.678 4.489 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.366 3.639 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.878 5.308 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.258 3.956 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.769 2.078 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.554 2.293 1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.124 2.618 -0.309 1.00 0.00 H new ATOM 248 N VAL A 16 0.810 2.180 2.914 1.00 0.00 N ATOM 249 CA VAL A 16 1.420 1.230 3.828 1.00 0.00 C ATOM 250 C VAL A 16 1.793 -0.040 3.060 1.00 0.00 C ATOM 251 O VAL A 16 1.564 -0.132 1.855 1.00 0.00 O ATOM 252 CB VAL A 16 0.483 0.962 5.006 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.762 1.931 6.159 1.00 0.00 C ATOM 254 CG2 VAL A 16 -0.981 1.034 4.572 1.00 0.00 C ATOM 0 H VAL A 16 0.307 1.758 2.133 1.00 0.00 H new ATOM 0 HA VAL A 16 2.339 1.639 4.248 1.00 0.00 H new ATOM 0 HB VAL A 16 0.676 -0.050 5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.082 1.720 6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.791 1.809 6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.611 2.955 5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.625 0.839 5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.195 2.027 4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.169 0.287 3.801 1.00 0.00 H new ATOM 264 N PHE A 17 2.364 -0.989 3.789 1.00 0.00 N ATOM 265 CA PHE A 17 2.771 -2.250 3.192 1.00 0.00 C ATOM 266 C PHE A 17 1.650 -3.286 3.285 1.00 0.00 C ATOM 267 O PHE A 17 1.196 -3.619 4.379 1.00 0.00 O ATOM 268 CB PHE A 17 3.979 -2.749 3.986 1.00 0.00 C ATOM 269 CG PHE A 17 5.317 -2.552 3.271 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.766 -3.491 2.396 1.00 0.00 C ATOM 271 CD2 PHE A 17 6.058 -1.436 3.511 1.00 0.00 C ATOM 272 CE1 PHE A 17 7.008 -3.308 1.732 1.00 0.00 C ATOM 273 CE2 PHE A 17 7.301 -1.253 2.848 1.00 0.00 C ATOM 274 CZ PHE A 17 7.749 -2.193 1.972 1.00 0.00 C ATOM 0 H PHE A 17 2.554 -0.909 4.788 1.00 0.00 H new ATOM 0 HA PHE A 17 3.008 -2.105 2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.011 -2.230 4.944 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.846 -3.809 4.202 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.178 -4.377 2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.701 -0.690 4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.364 -4.054 1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.890 -0.368 3.039 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.693 -2.054 1.467 1.00 0.00 H new ATOM 284 N ALA A 18 1.237 -3.769 2.122 1.00 0.00 N ATOM 285 CA ALA A 18 0.177 -4.762 2.059 1.00 0.00 C ATOM 286 C ALA A 18 0.658 -5.961 1.238 1.00 0.00 C ATOM 287 O ALA A 18 1.353 -5.794 0.236 1.00 0.00 O ATOM 288 CB ALA A 18 -1.085 -4.125 1.476 1.00 0.00 C ATOM 0 H ALA A 18 1.617 -3.492 1.217 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.072 -5.123 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.880 -4.869 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.401 -3.297 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.875 -3.754 0.473 1.00 0.00 H new ATOM 294 N LYS A 19 0.269 -7.143 1.692 1.00 0.00 N ATOM 295 CA LYS A 19 0.650 -8.368 1.013 1.00 0.00 C ATOM 296 C LYS A 19 -0.596 -9.026 0.416 1.00 0.00 C ATOM 297 O LYS A 19 -1.713 -8.762 0.858 1.00 0.00 O ATOM 298 CB LYS A 19 1.435 -9.283 1.956 1.00 0.00 C ATOM 299 CG LYS A 19 0.490 -10.174 2.766 1.00 0.00 C ATOM 300 CD LYS A 19 -0.103 -9.410 3.952 1.00 0.00 C ATOM 301 CE LYS A 19 -0.207 -10.307 5.185 1.00 0.00 C ATOM 302 NZ LYS A 19 1.129 -10.812 5.574 1.00 0.00 N ATOM 0 H LYS A 19 -0.307 -7.278 2.523 1.00 0.00 H new ATOM 0 HA LYS A 19 1.323 -8.148 0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.121 -9.903 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.042 -8.681 2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.313 -10.536 2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.030 -11.050 3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.519 -8.544 4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.091 -9.032 3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.646 -9.749 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.872 -11.145 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.095 -11.847 5.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.824 -10.555 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.409 -10.390 6.482 1.00 0.00 H new ATOM 316 N MET A 20 -0.363 -9.869 -0.579 1.00 0.00 N ATOM 317 CA MET A 20 -1.453 -10.565 -1.241 1.00 0.00 C ATOM 318 C MET A 20 -1.169 -12.065 -1.333 1.00 0.00 C ATOM 319 O MET A 20 -0.018 -12.490 -1.245 1.00 0.00 O ATOM 320 CB MET A 20 -1.645 -9.994 -2.648 1.00 0.00 C ATOM 321 CG MET A 20 -3.070 -10.232 -3.147 1.00 0.00 C ATOM 322 SD MET A 20 -3.695 -8.760 -3.940 1.00 0.00 S ATOM 323 CE MET A 20 -3.884 -9.363 -5.609 1.00 0.00 C ATOM 0 H MET A 20 0.565 -10.086 -0.943 1.00 0.00 H new ATOM 0 HA MET A 20 -2.360 -10.421 -0.655 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.432 -8.925 -2.643 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.934 -10.457 -3.332 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.084 -11.066 -3.848 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.715 -10.507 -2.312 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.269 -8.564 -6.243 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.917 -9.693 -5.988 1.00 0.00 H new ATOM 0 HE3 MET A 20 -4.582 -10.200 -5.617 1.00 0.00 H new ATOM 333 N LYS A 21 -2.239 -12.828 -1.510 1.00 0.00 N ATOM 334 CA LYS A 21 -2.119 -14.272 -1.615 1.00 0.00 C ATOM 335 C LYS A 21 -1.176 -14.619 -2.768 1.00 0.00 C ATOM 336 O LYS A 21 -1.449 -14.283 -3.919 1.00 0.00 O ATOM 337 CB LYS A 21 -3.501 -14.916 -1.735 1.00 0.00 C ATOM 338 CG LYS A 21 -3.460 -16.387 -1.311 1.00 0.00 C ATOM 339 CD LYS A 21 -4.551 -16.691 -0.283 1.00 0.00 C ATOM 340 CE LYS A 21 -5.500 -17.775 -0.794 1.00 0.00 C ATOM 341 NZ LYS A 21 -6.799 -17.703 -0.088 1.00 0.00 N ATOM 0 H LYS A 21 -3.192 -12.473 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.678 -14.685 -0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.214 -14.374 -1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.853 -14.840 -2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.591 -17.025 -2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.482 -16.621 -0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.094 -17.014 0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.114 -15.783 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.655 -17.655 -1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.053 -18.758 -0.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.431 -18.446 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.648 -17.840 0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.232 -16.772 -0.251 1.00 0.00 H new ATOM 355 N GLY A 22 -0.086 -15.287 -2.419 1.00 0.00 N ATOM 356 CA GLY A 22 0.899 -15.684 -3.411 1.00 0.00 C ATOM 357 C GLY A 22 1.935 -14.579 -3.626 1.00 0.00 C ATOM 358 O GLY A 22 3.014 -14.832 -4.161 1.00 0.00 O ATOM 0 H GLY A 22 0.137 -15.563 -1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.398 -16.598 -3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.401 -15.909 -4.354 1.00 0.00 H new ATOM 362 N TYR A 23 1.571 -13.379 -3.198 1.00 0.00 N ATOM 363 CA TYR A 23 2.456 -12.236 -3.338 1.00 0.00 C ATOM 364 C TYR A 23 2.975 -11.775 -1.975 1.00 0.00 C ATOM 365 O TYR A 23 2.218 -11.708 -1.008 1.00 0.00 O ATOM 366 CB TYR A 23 1.609 -11.119 -3.951 1.00 0.00 C ATOM 367 CG TYR A 23 2.423 -10.057 -4.694 1.00 0.00 C ATOM 368 CD1 TYR A 23 3.438 -10.436 -5.549 1.00 0.00 C ATOM 369 CD2 TYR A 23 2.143 -8.717 -4.508 1.00 0.00 C ATOM 370 CE1 TYR A 23 4.203 -9.436 -6.247 1.00 0.00 C ATOM 371 CE2 TYR A 23 2.908 -7.718 -5.205 1.00 0.00 C ATOM 372 CZ TYR A 23 3.901 -8.126 -6.041 1.00 0.00 C ATOM 373 OH TYR A 23 4.624 -7.183 -6.700 1.00 0.00 O ATOM 0 H TYR A 23 0.676 -13.174 -2.754 1.00 0.00 H new ATOM 0 HA TYR A 23 3.319 -12.492 -3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.890 -11.560 -4.641 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.036 -10.635 -3.160 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.658 -11.483 -5.694 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.349 -8.419 -3.839 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.999 -9.720 -6.919 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.699 -6.667 -5.068 1.00 0.00 H new ATOM 0 HH TYR A 23 5.234 -6.741 -6.073 1.00 0.00 H new ATOM 383 N PRO A 24 4.298 -11.459 -1.939 1.00 0.00 N ATOM 384 CA PRO A 24 4.927 -11.008 -0.711 1.00 0.00 C ATOM 385 C PRO A 24 4.539 -9.561 -0.396 1.00 0.00 C ATOM 386 O PRO A 24 4.163 -8.808 -1.292 1.00 0.00 O ATOM 387 CB PRO A 24 6.419 -11.185 -0.944 1.00 0.00 C ATOM 388 CG PRO A 24 6.596 -11.289 -2.450 1.00 0.00 C ATOM 389 CD PRO A 24 5.226 -11.526 -3.064 1.00 0.00 C ATOM 0 HA PRO A 24 4.603 -11.577 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.980 -10.341 -0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.789 -12.080 -0.444 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.039 -10.376 -2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.273 -12.106 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.993 -10.771 -3.815 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.177 -12.495 -3.560 1.00 0.00 H new ATOM 397 N HIS A 25 4.645 -9.218 0.879 1.00 0.00 N ATOM 398 CA HIS A 25 4.310 -7.875 1.323 1.00 0.00 C ATOM 399 C HIS A 25 4.864 -6.853 0.328 1.00 0.00 C ATOM 400 O HIS A 25 6.078 -6.676 0.224 1.00 0.00 O ATOM 401 CB HIS A 25 4.800 -7.637 2.753 1.00 0.00 C ATOM 402 CG HIS A 25 3.692 -7.420 3.755 1.00 0.00 C ATOM 403 ND1 HIS A 25 3.028 -6.213 3.887 1.00 0.00 N ATOM 404 CD2 HIS A 25 3.137 -8.267 4.667 1.00 0.00 C ATOM 405 CE1 HIS A 25 2.118 -6.339 4.842 1.00 0.00 C ATOM 406 NE2 HIS A 25 2.187 -7.613 5.324 1.00 0.00 N ATOM 0 H HIS A 25 4.958 -9.846 1.619 1.00 0.00 H new ATOM 0 HA HIS A 25 3.227 -7.756 1.348 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.398 -8.492 3.068 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.458 -6.768 2.761 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.422 -9.296 4.828 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.441 -5.568 5.179 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.605 -7.999 6.067 1.00 0.00 H new ATOM 414 N TRP A 26 3.948 -6.206 -0.378 1.00 0.00 N ATOM 415 CA TRP A 26 4.330 -5.206 -1.361 1.00 0.00 C ATOM 416 C TRP A 26 3.769 -3.858 -0.906 1.00 0.00 C ATOM 417 O TRP A 26 2.810 -3.807 -0.139 1.00 0.00 O ATOM 418 CB TRP A 26 3.860 -5.605 -2.761 1.00 0.00 C ATOM 419 CG TRP A 26 4.993 -5.752 -3.780 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.126 -5.128 -4.959 1.00 0.00 C ATOM 421 CD2 TRP A 26 6.152 -6.602 -3.661 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.283 -5.515 -5.605 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.926 -6.439 -4.792 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.534 -7.482 -2.632 1.00 0.00 C ATOM 425 CZ2 TRP A 26 8.130 -7.121 -5.002 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.741 -8.156 -2.857 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.532 -8.003 -3.990 1.00 0.00 C ATOM 0 H TRP A 26 2.943 -6.355 -0.289 1.00 0.00 H new ATOM 0 HA TRP A 26 5.415 -5.128 -1.429 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.319 -6.549 -2.696 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.154 -4.857 -3.123 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.418 -4.414 -5.353 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.606 -5.183 -6.514 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.943 -7.626 -1.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.718 -6.975 -5.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.081 -8.843 -2.097 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.451 -8.561 -4.090 1.00 0.00 H new ATOM 438 N PRO A 27 4.411 -2.769 -1.408 1.00 0.00 N ATOM 439 CA PRO A 27 3.988 -1.423 -1.061 1.00 0.00 C ATOM 440 C PRO A 27 2.700 -1.047 -1.797 1.00 0.00 C ATOM 441 O PRO A 27 2.726 -0.744 -2.988 1.00 0.00 O ATOM 442 CB PRO A 27 5.163 -0.533 -1.429 1.00 0.00 C ATOM 443 CG PRO A 27 6.014 -1.344 -2.392 1.00 0.00 C ATOM 444 CD PRO A 27 5.553 -2.790 -2.318 1.00 0.00 C ATOM 0 HA PRO A 27 3.743 -1.319 -0.004 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.822 0.392 -1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.734 -0.254 -0.543 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.910 -0.962 -3.408 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.069 -1.266 -2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.269 -3.166 -3.301 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.345 -3.439 -1.945 1.00 0.00 H new ATOM 452 N ALA A 28 1.601 -1.078 -1.054 1.00 0.00 N ATOM 453 CA ALA A 28 0.306 -0.745 -1.621 1.00 0.00 C ATOM 454 C ALA A 28 -0.302 0.423 -0.839 1.00 0.00 C ATOM 455 O ALA A 28 -0.152 0.504 0.378 1.00 0.00 O ATOM 456 CB ALA A 28 -0.591 -1.984 -1.608 1.00 0.00 C ATOM 0 H ALA A 28 1.582 -1.329 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 28 0.411 -0.429 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.563 -1.734 -2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.128 -2.774 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.722 -2.328 -0.582 1.00 0.00 H new ATOM 462 N ARG A 29 -0.976 1.296 -1.573 1.00 0.00 N ATOM 463 CA ARG A 29 -1.607 2.454 -0.964 1.00 0.00 C ATOM 464 C ARG A 29 -3.097 2.192 -0.742 1.00 0.00 C ATOM 465 O ARG A 29 -3.757 1.585 -1.585 1.00 0.00 O ATOM 466 CB ARG A 29 -1.440 3.696 -1.842 1.00 0.00 C ATOM 467 CG ARG A 29 -2.001 4.939 -1.145 1.00 0.00 C ATOM 468 CD ARG A 29 -1.591 6.214 -1.886 1.00 0.00 C ATOM 469 NE ARG A 29 -2.387 6.354 -3.127 1.00 0.00 N ATOM 470 CZ ARG A 29 -3.625 6.863 -3.171 1.00 0.00 C ATOM 471 NH1 ARG A 29 -4.218 7.283 -2.046 1.00 0.00 N ATOM 472 NH2 ARG A 29 -4.271 6.953 -4.343 1.00 0.00 N ATOM 0 H ARG A 29 -1.099 1.225 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.120 2.631 -0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.384 3.847 -2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.952 3.545 -2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.088 4.875 -1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.639 4.979 -0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.744 7.082 -1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.529 6.179 -2.127 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.966 6.043 -4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.727 7.215 -1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.161 7.671 -2.081 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.819 6.634 -5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.214 7.341 -4.377 1.00 0.00 H new ATOM 486 N ILE A 30 -3.586 2.661 0.397 1.00 0.00 N ATOM 487 CA ILE A 30 -4.986 2.484 0.741 1.00 0.00 C ATOM 488 C ILE A 30 -5.855 3.222 -0.280 1.00 0.00 C ATOM 489 O ILE A 30 -5.467 4.275 -0.785 1.00 0.00 O ATOM 490 CB ILE A 30 -5.241 2.910 2.187 1.00 0.00 C ATOM 491 CG1 ILE A 30 -6.015 1.832 2.949 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.945 4.268 2.243 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.522 1.978 2.724 1.00 0.00 C ATOM 0 H ILE A 30 -3.036 3.164 1.094 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.260 1.430 0.691 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.277 3.026 2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.689 0.845 2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.794 1.904 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.114 4.547 3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.321 5.021 1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.901 4.204 1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.049 1.200 3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.849 2.957 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.742 1.881 1.661 1.00 0.00 H new ATOM 505 N ASP A 31 -7.013 2.641 -0.554 1.00 0.00 N ATOM 506 CA ASP A 31 -7.939 3.230 -1.506 1.00 0.00 C ATOM 507 C ASP A 31 -9.347 2.690 -1.244 1.00 0.00 C ATOM 508 O ASP A 31 -9.509 1.534 -0.853 1.00 0.00 O ATOM 509 CB ASP A 31 -7.555 2.872 -2.943 1.00 0.00 C ATOM 510 CG ASP A 31 -6.550 3.820 -3.599 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.364 3.747 -3.210 1.00 0.00 O ATOM 512 OD2 ASP A 31 -6.989 4.596 -4.475 1.00 0.00 O ATOM 0 H ASP A 31 -7.332 1.768 -0.133 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.905 4.312 -1.383 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.140 1.864 -2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.460 2.849 -3.550 1.00 0.00 H new ATOM 517 N GLU A 32 -10.328 3.549 -1.469 1.00 0.00 N ATOM 518 CA GLU A 32 -11.716 3.172 -1.262 1.00 0.00 C ATOM 519 C GLU A 32 -12.344 2.713 -2.579 1.00 0.00 C ATOM 520 O GLU A 32 -11.854 3.052 -3.655 1.00 0.00 O ATOM 521 CB GLU A 32 -12.512 4.327 -0.647 1.00 0.00 C ATOM 522 CG GLU A 32 -13.413 3.830 0.484 1.00 0.00 C ATOM 523 CD GLU A 32 -14.227 4.979 1.082 1.00 0.00 C ATOM 524 OE1 GLU A 32 -13.588 5.900 1.632 1.00 0.00 O ATOM 525 OE2 GLU A 32 -15.470 4.909 0.975 1.00 0.00 O ATOM 0 H GLU A 32 -10.190 4.506 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.745 2.339 -0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.826 5.083 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.118 4.806 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.086 3.061 0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.805 3.367 1.261 1.00 0.00 H new ATOM 532 N MET A 33 -13.419 1.951 -2.451 1.00 0.00 N ATOM 533 CA MET A 33 -14.119 1.442 -3.618 1.00 0.00 C ATOM 534 C MET A 33 -14.919 2.552 -4.305 1.00 0.00 C ATOM 535 O MET A 33 -15.881 3.069 -3.741 1.00 0.00 O ATOM 536 CB MET A 33 -15.068 0.317 -3.195 1.00 0.00 C ATOM 537 CG MET A 33 -16.034 0.794 -2.110 1.00 0.00 C ATOM 538 SD MET A 33 -15.863 -0.221 -0.651 1.00 0.00 S ATOM 539 CE MET A 33 -16.269 0.976 0.610 1.00 0.00 C ATOM 0 H MET A 33 -13.823 1.673 -1.557 1.00 0.00 H new ATOM 0 HA MET A 33 -13.380 1.061 -4.323 1.00 0.00 H new ATOM 0 HB2 MET A 33 -15.631 -0.033 -4.060 1.00 0.00 H new ATOM 0 HB3 MET A 33 -14.491 -0.531 -2.826 1.00 0.00 H new ATOM 0 HG2 MET A 33 -15.831 1.836 -1.864 1.00 0.00 H new ATOM 0 HG3 MET A 33 -17.059 0.747 -2.478 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.351 1.369 1.047 1.00 0.00 H new ATOM 0 HE2 MET A 33 -16.839 1.793 0.167 1.00 0.00 H new ATOM 0 HE3 MET A 33 -16.865 0.498 1.387 1.00 0.00 H new ATOM 549 N PRO A 34 -14.477 2.893 -5.546 1.00 0.00 N ATOM 550 CA PRO A 34 -15.140 3.932 -6.317 1.00 0.00 C ATOM 551 C PRO A 34 -16.466 3.428 -6.888 1.00 0.00 C ATOM 552 O PRO A 34 -16.528 2.336 -7.451 1.00 0.00 O ATOM 553 CB PRO A 34 -14.140 4.325 -7.391 1.00 0.00 C ATOM 554 CG PRO A 34 -13.145 3.177 -7.473 1.00 0.00 C ATOM 555 CD PRO A 34 -13.341 2.303 -6.245 1.00 0.00 C ATOM 0 HA PRO A 34 -15.412 4.797 -5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -14.636 4.481 -8.349 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.639 5.259 -7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.304 2.598 -8.383 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.125 3.558 -7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.542 1.268 -6.524 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -12.450 2.297 -5.617 1.00 0.00 H new ATOM 563 N GLU A 35 -17.494 4.248 -6.725 1.00 0.00 N ATOM 564 CA GLU A 35 -18.816 3.899 -7.220 1.00 0.00 C ATOM 565 C GLU A 35 -19.098 4.622 -8.538 1.00 0.00 C ATOM 566 O GLU A 35 -20.220 5.063 -8.781 1.00 0.00 O ATOM 567 CB GLU A 35 -19.891 4.217 -6.179 1.00 0.00 C ATOM 568 CG GLU A 35 -20.035 5.727 -5.981 1.00 0.00 C ATOM 569 CD GLU A 35 -20.781 6.042 -4.683 1.00 0.00 C ATOM 570 OE1 GLU A 35 -20.121 5.993 -3.623 1.00 0.00 O ATOM 571 OE2 GLU A 35 -21.995 6.324 -4.781 1.00 0.00 O ATOM 0 H GLU A 35 -17.439 5.153 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 35 -18.842 2.825 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -20.845 3.796 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -19.634 3.745 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.048 6.190 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.571 6.159 -6.826 1.00 0.00 H new ATOM 578 N ALA A 36 -18.059 4.722 -9.355 1.00 0.00 N ATOM 579 CA ALA A 36 -18.181 5.384 -10.642 1.00 0.00 C ATOM 580 C ALA A 36 -18.053 4.346 -11.759 1.00 0.00 C ATOM 581 O ALA A 36 -18.945 4.216 -12.596 1.00 0.00 O ATOM 582 CB ALA A 36 -17.129 6.489 -10.749 1.00 0.00 C ATOM 0 H ALA A 36 -17.129 4.356 -9.150 1.00 0.00 H new ATOM 0 HA ALA A 36 -19.159 5.855 -10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.220 6.986 -11.715 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -17.282 7.216 -9.951 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.134 6.054 -10.657 1.00 0.00 H new ATOM 588 N ALA A 37 -16.936 3.633 -11.735 1.00 0.00 N ATOM 589 CA ALA A 37 -16.678 2.612 -12.735 1.00 0.00 C ATOM 590 C ALA A 37 -17.660 1.454 -12.540 1.00 0.00 C ATOM 591 O ALA A 37 -18.201 0.923 -13.509 1.00 0.00 O ATOM 592 CB ALA A 37 -15.221 2.160 -12.642 1.00 0.00 C ATOM 0 H ALA A 37 -16.199 3.743 -11.038 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.831 3.011 -13.738 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.029 1.394 -13.393 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.564 3.012 -12.817 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -15.029 1.751 -11.650 1.00 0.00 H new ATOM 598 N VAL A 38 -17.862 1.098 -11.280 1.00 0.00 N ATOM 599 CA VAL A 38 -18.770 0.013 -10.944 1.00 0.00 C ATOM 600 C VAL A 38 -19.510 0.356 -9.649 1.00 0.00 C ATOM 601 O VAL A 38 -19.189 1.342 -8.988 1.00 0.00 O ATOM 602 CB VAL A 38 -18.000 -1.306 -10.861 1.00 0.00 C ATOM 603 CG1 VAL A 38 -17.468 -1.716 -12.236 1.00 0.00 C ATOM 604 CG2 VAL A 38 -16.866 -1.217 -9.839 1.00 0.00 C ATOM 0 H VAL A 38 -17.413 1.541 -10.479 1.00 0.00 H new ATOM 0 HA VAL A 38 -19.521 -0.113 -11.724 1.00 0.00 H new ATOM 0 HB VAL A 38 -18.693 -2.078 -10.525 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.924 -2.657 -12.150 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.302 -1.841 -12.926 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.798 -0.943 -12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.335 -2.168 -9.801 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.174 -0.427 -10.131 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -17.279 -0.992 -8.856 1.00 0.00 H new ATOM 614 N LYS A 39 -20.488 -0.478 -9.325 1.00 0.00 N ATOM 615 CA LYS A 39 -21.275 -0.277 -8.121 1.00 0.00 C ATOM 616 C LYS A 39 -20.886 -1.328 -7.080 1.00 0.00 C ATOM 617 O LYS A 39 -21.703 -2.166 -6.704 1.00 0.00 O ATOM 618 CB LYS A 39 -22.768 -0.265 -8.456 1.00 0.00 C ATOM 619 CG LYS A 39 -23.112 0.890 -9.399 1.00 0.00 C ATOM 620 CD LYS A 39 -23.873 0.388 -10.627 1.00 0.00 C ATOM 621 CE LYS A 39 -23.020 0.514 -11.890 1.00 0.00 C ATOM 622 NZ LYS A 39 -23.572 -0.326 -12.975 1.00 0.00 N ATOM 0 H LYS A 39 -20.753 -1.294 -9.876 1.00 0.00 H new ATOM 0 HA LYS A 39 -21.061 0.698 -7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -23.048 -1.212 -8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -23.349 -0.175 -7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -23.715 1.628 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -22.197 1.392 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -24.161 -0.653 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -24.794 0.959 -10.747 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -22.986 1.555 -12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -21.995 0.213 -11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -22.981 -0.228 -13.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -23.582 -1.321 -12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -24.542 -0.020 -13.191 1.00 0.00 H new ATOM 636 N SER A 40 -19.637 -1.246 -6.643 1.00 0.00 N ATOM 637 CA SER A 40 -19.129 -2.180 -5.653 1.00 0.00 C ATOM 638 C SER A 40 -19.920 -2.042 -4.350 1.00 0.00 C ATOM 639 O SER A 40 -20.810 -1.199 -4.246 1.00 0.00 O ATOM 640 CB SER A 40 -17.639 -1.953 -5.395 1.00 0.00 C ATOM 641 OG SER A 40 -16.830 -2.936 -6.034 1.00 0.00 O ATOM 0 H SER A 40 -18.963 -0.548 -6.956 1.00 0.00 H new ATOM 0 HA SER A 40 -19.253 -3.191 -6.041 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.356 -0.963 -5.752 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.450 -1.970 -4.322 1.00 0.00 H new ATOM 0 HG SER A 40 -15.885 -2.755 -5.846 1.00 0.00 H new ATOM 647 N THR A 41 -19.568 -2.883 -3.389 1.00 0.00 N ATOM 648 CA THR A 41 -20.233 -2.866 -2.099 1.00 0.00 C ATOM 649 C THR A 41 -19.263 -2.418 -1.004 1.00 0.00 C ATOM 650 O THR A 41 -18.064 -2.286 -1.248 1.00 0.00 O ATOM 651 CB THR A 41 -20.826 -4.256 -1.854 1.00 0.00 C ATOM 652 OG1 THR A 41 -21.591 -4.519 -3.027 1.00 0.00 O ATOM 653 CG2 THR A 41 -21.862 -4.260 -0.726 1.00 0.00 C ATOM 0 H THR A 41 -18.830 -3.581 -3.479 1.00 0.00 H new ATOM 0 HA THR A 41 -21.047 -2.142 -2.084 1.00 0.00 H new ATOM 0 HB THR A 41 -20.025 -4.955 -1.615 1.00 0.00 H new ATOM 0 HG1 THR A 41 -22.010 -5.402 -2.953 1.00 0.00 H new ATOM 0 HG21 THR A 41 -22.251 -5.269 -0.593 1.00 0.00 H new ATOM 0 HG22 THR A 41 -21.393 -3.927 0.200 1.00 0.00 H new ATOM 0 HG23 THR A 41 -22.680 -3.586 -0.981 1.00 0.00 H new ATOM 661 N ALA A 42 -19.817 -2.197 0.180 1.00 0.00 N ATOM 662 CA ALA A 42 -19.015 -1.766 1.313 1.00 0.00 C ATOM 663 C ALA A 42 -18.795 -2.951 2.255 1.00 0.00 C ATOM 664 O ALA A 42 -19.750 -3.610 2.663 1.00 0.00 O ATOM 665 CB ALA A 42 -19.701 -0.589 2.005 1.00 0.00 C ATOM 0 H ALA A 42 -20.811 -2.308 0.379 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.035 -1.422 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -19.100 -0.266 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -19.807 0.236 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.687 -0.896 2.354 1.00 0.00 H new ATOM 671 N ASN A 43 -17.530 -3.184 2.576 1.00 0.00 N ATOM 672 CA ASN A 43 -17.173 -4.278 3.463 1.00 0.00 C ATOM 673 C ASN A 43 -15.661 -4.505 3.402 1.00 0.00 C ATOM 674 O ASN A 43 -15.049 -4.903 4.392 1.00 0.00 O ATOM 675 CB ASN A 43 -17.865 -5.576 3.045 1.00 0.00 C ATOM 676 CG ASN A 43 -17.780 -5.779 1.531 1.00 0.00 C ATOM 677 OD1 ASN A 43 -16.718 -5.987 0.966 1.00 0.00 O ATOM 678 ND2 ASN A 43 -18.952 -5.707 0.908 1.00 0.00 N ATOM 0 H ASN A 43 -16.740 -2.634 2.238 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.489 -4.011 4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -17.401 -6.420 3.555 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -18.910 -5.551 3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -19.000 -5.829 -0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.803 -5.530 1.442 1.00 0.00 H new ATOM 685 N LYS A 44 -15.103 -4.245 2.228 1.00 0.00 N ATOM 686 CA LYS A 44 -13.675 -4.417 2.024 1.00 0.00 C ATOM 687 C LYS A 44 -13.056 -3.077 1.623 1.00 0.00 C ATOM 688 O LYS A 44 -13.771 -2.101 1.397 1.00 0.00 O ATOM 689 CB LYS A 44 -13.409 -5.542 1.022 1.00 0.00 C ATOM 690 CG LYS A 44 -13.423 -5.011 -0.413 1.00 0.00 C ATOM 691 CD LYS A 44 -14.181 -5.962 -1.342 1.00 0.00 C ATOM 692 CE LYS A 44 -14.859 -5.192 -2.478 1.00 0.00 C ATOM 693 NZ LYS A 44 -16.220 -5.719 -2.720 1.00 0.00 N ATOM 0 H LYS A 44 -15.614 -3.917 1.409 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.192 -4.726 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.444 -6.002 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.165 -6.320 1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.889 -4.026 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.400 -4.888 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.492 -6.698 -1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.930 -6.512 -0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.912 -4.133 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.264 -5.274 -3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.666 -5.186 -3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.162 -6.724 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.790 -5.618 -1.856 1.00 0.00 H new ATOM 707 N TYR A 45 -11.733 -3.071 1.549 1.00 0.00 N ATOM 708 CA TYR A 45 -11.010 -1.867 1.180 1.00 0.00 C ATOM 709 C TYR A 45 -10.207 -2.081 -0.105 1.00 0.00 C ATOM 710 O TYR A 45 -9.542 -3.102 -0.262 1.00 0.00 O ATOM 711 CB TYR A 45 -10.041 -1.587 2.330 1.00 0.00 C ATOM 712 CG TYR A 45 -8.568 -1.585 1.917 1.00 0.00 C ATOM 713 CD1 TYR A 45 -8.099 -0.628 1.040 1.00 0.00 C ATOM 714 CD2 TYR A 45 -7.708 -2.540 2.422 1.00 0.00 C ATOM 715 CE1 TYR A 45 -6.712 -0.627 0.650 1.00 0.00 C ATOM 716 CE2 TYR A 45 -6.322 -2.537 2.033 1.00 0.00 C ATOM 717 CZ TYR A 45 -5.892 -1.580 1.166 1.00 0.00 C ATOM 718 OH TYR A 45 -4.583 -1.579 0.799 1.00 0.00 O ATOM 0 H TYR A 45 -11.143 -3.881 1.739 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.702 -1.043 1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.285 -0.620 2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.189 -2.337 3.107 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.771 0.120 0.646 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.075 -3.289 3.108 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.332 0.115 -0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.638 -3.278 2.421 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.175 -0.722 1.043 1.00 0.00 H new ATOM 728 N GLN A 46 -10.298 -1.100 -0.992 1.00 0.00 N ATOM 729 CA GLN A 46 -9.589 -1.168 -2.258 1.00 0.00 C ATOM 730 C GLN A 46 -8.098 -0.898 -2.048 1.00 0.00 C ATOM 731 O GLN A 46 -7.712 0.200 -1.649 1.00 0.00 O ATOM 732 CB GLN A 46 -10.185 -0.189 -3.273 1.00 0.00 C ATOM 733 CG GLN A 46 -9.402 -0.219 -4.587 1.00 0.00 C ATOM 734 CD GLN A 46 -9.919 0.846 -5.557 1.00 0.00 C ATOM 735 OE1 GLN A 46 -10.997 0.740 -6.117 1.00 0.00 O ATOM 736 NE2 GLN A 46 -9.092 1.873 -5.724 1.00 0.00 N ATOM 0 H GLN A 46 -10.852 -0.254 -0.858 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.702 -2.174 -2.661 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.228 -0.444 -3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.173 0.820 -2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.344 -0.052 -4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.488 -1.205 -5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.204 1.899 -5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.346 2.635 -6.352 1.00 0.00 H new ATOM 745 N VAL A 47 -7.300 -1.919 -2.323 1.00 0.00 N ATOM 746 CA VAL A 47 -5.860 -1.806 -2.168 1.00 0.00 C ATOM 747 C VAL A 47 -5.235 -1.427 -3.513 1.00 0.00 C ATOM 748 O VAL A 47 -5.609 -1.970 -4.551 1.00 0.00 O ATOM 749 CB VAL A 47 -5.292 -3.106 -1.591 1.00 0.00 C ATOM 750 CG1 VAL A 47 -5.497 -4.272 -2.559 1.00 0.00 C ATOM 751 CG2 VAL A 47 -3.814 -2.944 -1.231 1.00 0.00 C ATOM 0 H VAL A 47 -7.623 -2.829 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.613 -1.015 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.837 -3.333 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.084 -5.183 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.563 -4.409 -2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.990 -4.057 -3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.434 -3.881 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.248 -2.681 -2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.705 -2.154 -0.488 1.00 0.00 H new ATOM 761 N PHE A 48 -4.293 -0.498 -3.449 1.00 0.00 N ATOM 762 CA PHE A 48 -3.613 -0.039 -4.648 1.00 0.00 C ATOM 763 C PHE A 48 -2.134 -0.429 -4.624 1.00 0.00 C ATOM 764 O PHE A 48 -1.318 0.255 -4.008 1.00 0.00 O ATOM 765 CB PHE A 48 -3.725 1.488 -4.670 1.00 0.00 C ATOM 766 CG PHE A 48 -4.401 2.044 -5.925 1.00 0.00 C ATOM 767 CD1 PHE A 48 -5.740 1.891 -6.102 1.00 0.00 C ATOM 768 CD2 PHE A 48 -3.660 2.691 -6.866 1.00 0.00 C ATOM 769 CE1 PHE A 48 -6.367 2.407 -7.265 1.00 0.00 C ATOM 770 CE2 PHE A 48 -4.286 3.208 -8.030 1.00 0.00 C ATOM 771 CZ PHE A 48 -5.627 3.054 -8.207 1.00 0.00 C ATOM 0 H PHE A 48 -3.985 -0.051 -2.586 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.067 -0.493 -5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.285 1.814 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.726 1.917 -4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.327 1.376 -5.356 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.596 2.811 -6.727 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.431 2.287 -7.403 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.699 3.724 -8.775 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.103 3.445 -9.094 1.00 0.00 H new ATOM 781 N PHE A 49 -1.834 -1.527 -5.300 1.00 0.00 N ATOM 782 CA PHE A 49 -0.468 -2.018 -5.363 1.00 0.00 C ATOM 783 C PHE A 49 0.354 -1.224 -6.381 1.00 0.00 C ATOM 784 O PHE A 49 0.000 -1.162 -7.557 1.00 0.00 O ATOM 785 CB PHE A 49 -0.537 -3.479 -5.810 1.00 0.00 C ATOM 786 CG PHE A 49 -0.596 -4.482 -4.656 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.765 -4.686 -3.991 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.521 -5.169 -4.295 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.819 -5.616 -2.920 1.00 0.00 C ATOM 790 CE2 PHE A 49 0.466 -6.100 -3.223 1.00 0.00 C ATOM 791 CZ PHE A 49 -0.702 -6.303 -2.558 1.00 0.00 C ATOM 0 H PHE A 49 -2.514 -2.091 -5.810 1.00 0.00 H new ATOM 0 HA PHE A 49 0.010 -1.913 -4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.416 -3.614 -6.440 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.334 -3.701 -6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.652 -4.140 -4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.449 -5.007 -4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.747 -5.778 -2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.352 -6.646 -2.937 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.743 -7.010 -1.742 1.00 0.00 H new ATOM 801 N PHE A 50 1.434 -0.634 -5.891 1.00 0.00 N ATOM 802 CA PHE A 50 2.308 0.153 -6.744 1.00 0.00 C ATOM 803 C PHE A 50 3.244 -0.747 -7.551 1.00 0.00 C ATOM 804 O PHE A 50 3.265 -0.683 -8.780 1.00 0.00 O ATOM 805 CB PHE A 50 3.146 1.044 -5.824 1.00 0.00 C ATOM 806 CG PHE A 50 2.517 2.409 -5.534 1.00 0.00 C ATOM 807 CD1 PHE A 50 1.338 2.485 -4.860 1.00 0.00 C ATOM 808 CD2 PHE A 50 3.136 3.545 -5.953 1.00 0.00 C ATOM 809 CE1 PHE A 50 0.753 3.752 -4.593 1.00 0.00 C ATOM 810 CE2 PHE A 50 2.551 4.810 -5.685 1.00 0.00 C ATOM 811 CZ PHE A 50 1.374 4.887 -5.011 1.00 0.00 C ATOM 0 H PHE A 50 1.724 -0.685 -4.914 1.00 0.00 H new ATOM 0 HA PHE A 50 1.714 0.737 -7.447 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.308 0.523 -4.881 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.126 1.196 -6.277 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.847 1.582 -4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.072 3.485 -6.489 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.184 3.813 -4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.042 5.713 -6.017 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.931 5.851 -4.807 1.00 0.00 H new ATOM 821 N GLY A 51 3.994 -1.566 -6.830 1.00 0.00 N ATOM 822 CA GLY A 51 4.929 -2.480 -7.465 1.00 0.00 C ATOM 823 C GLY A 51 4.325 -3.092 -8.730 1.00 0.00 C ATOM 824 O GLY A 51 4.903 -2.990 -9.810 1.00 0.00 O ATOM 0 H GLY A 51 3.974 -1.616 -5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.847 -1.950 -7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.199 -3.272 -6.767 1.00 0.00 H new ATOM 828 N THR A 52 3.169 -3.714 -8.552 1.00 0.00 N ATOM 829 CA THR A 52 2.479 -4.344 -9.666 1.00 0.00 C ATOM 830 C THR A 52 1.745 -3.292 -10.502 1.00 0.00 C ATOM 831 O THR A 52 1.558 -3.470 -11.704 1.00 0.00 O ATOM 832 CB THR A 52 1.555 -5.425 -9.100 1.00 0.00 C ATOM 833 OG1 THR A 52 0.575 -4.694 -8.367 1.00 0.00 O ATOM 834 CG2 THR A 52 2.244 -6.289 -8.044 1.00 0.00 C ATOM 0 H THR A 52 2.693 -3.795 -7.654 1.00 0.00 H new ATOM 0 HA THR A 52 3.182 -4.823 -10.348 1.00 0.00 H new ATOM 0 HB THR A 52 1.199 -6.060 -9.911 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.067 -5.317 -7.967 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.545 -7.040 -7.675 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.108 -6.784 -8.487 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.571 -5.660 -7.216 1.00 0.00 H new ATOM 842 N HIS A 53 1.348 -2.220 -9.830 1.00 0.00 N ATOM 843 CA HIS A 53 0.640 -1.141 -10.496 1.00 0.00 C ATOM 844 C HIS A 53 -0.798 -1.576 -10.791 1.00 0.00 C ATOM 845 O HIS A 53 -1.352 -1.235 -11.834 1.00 0.00 O ATOM 846 CB HIS A 53 1.390 -0.689 -11.749 1.00 0.00 C ATOM 847 CG HIS A 53 1.041 0.708 -12.205 1.00 0.00 C ATOM 848 ND1 HIS A 53 1.511 1.250 -13.388 1.00 0.00 N ATOM 849 CD2 HIS A 53 0.263 1.666 -11.624 1.00 0.00 C ATOM 850 CE1 HIS A 53 1.032 2.480 -13.504 1.00 0.00 C ATOM 851 NE2 HIS A 53 0.258 2.736 -12.409 1.00 0.00 N ATOM 0 H HIS A 53 1.504 -2.077 -8.832 1.00 0.00 H new ATOM 0 HA HIS A 53 0.594 -0.273 -9.839 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.462 -0.740 -11.556 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.178 -1.388 -12.558 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.260 1.570 -10.684 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.221 3.160 -14.321 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.242 3.606 -12.225 1.00 0.00 H new ATOM 859 N GLU A 54 -1.360 -2.322 -9.850 1.00 0.00 N ATOM 860 CA GLU A 54 -2.722 -2.807 -9.997 1.00 0.00 C ATOM 861 C GLU A 54 -3.480 -2.666 -8.675 1.00 0.00 C ATOM 862 O GLU A 54 -2.872 -2.481 -7.623 1.00 0.00 O ATOM 863 CB GLU A 54 -2.738 -4.257 -10.486 1.00 0.00 C ATOM 864 CG GLU A 54 -2.337 -4.342 -11.960 1.00 0.00 C ATOM 865 CD GLU A 54 -3.411 -5.058 -12.780 1.00 0.00 C ATOM 866 OE1 GLU A 54 -3.466 -6.303 -12.680 1.00 0.00 O ATOM 867 OE2 GLU A 54 -4.152 -4.345 -13.490 1.00 0.00 O ATOM 0 H GLU A 54 -0.898 -2.602 -8.985 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.225 -2.199 -10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.054 -4.855 -9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.734 -4.679 -10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.180 -3.339 -12.356 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.390 -4.873 -12.053 1.00 0.00 H new ATOM 874 N THR A 55 -4.798 -2.758 -8.773 1.00 0.00 N ATOM 875 CA THR A 55 -5.646 -2.644 -7.599 1.00 0.00 C ATOM 876 C THR A 55 -6.182 -4.017 -7.191 1.00 0.00 C ATOM 877 O THR A 55 -6.208 -4.943 -8.001 1.00 0.00 O ATOM 878 CB THR A 55 -6.747 -1.628 -7.909 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.203 -0.384 -7.477 1.00 0.00 O ATOM 880 CG2 THR A 55 -7.985 -1.820 -7.027 1.00 0.00 C ATOM 0 H THR A 55 -5.300 -2.910 -9.648 1.00 0.00 H new ATOM 0 HA THR A 55 -5.083 -2.283 -6.738 1.00 0.00 H new ATOM 0 HB THR A 55 -7.032 -1.709 -8.958 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.863 0.327 -7.614 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.736 -1.074 -7.287 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.394 -2.818 -7.186 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.707 -1.705 -5.979 1.00 0.00 H new ATOM 888 N ALA A 56 -6.596 -4.108 -5.936 1.00 0.00 N ATOM 889 CA ALA A 56 -7.130 -5.353 -5.412 1.00 0.00 C ATOM 890 C ALA A 56 -8.053 -5.049 -4.229 1.00 0.00 C ATOM 891 O ALA A 56 -8.252 -3.887 -3.876 1.00 0.00 O ATOM 892 CB ALA A 56 -5.977 -6.281 -5.027 1.00 0.00 C ATOM 0 H ALA A 56 -6.572 -3.339 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.722 -5.866 -6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.378 -7.215 -4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.368 -6.489 -5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.362 -5.801 -4.266 1.00 0.00 H new ATOM 898 N PHE A 57 -8.591 -6.113 -3.650 1.00 0.00 N ATOM 899 CA PHE A 57 -9.487 -5.975 -2.515 1.00 0.00 C ATOM 900 C PHE A 57 -8.931 -6.698 -1.287 1.00 0.00 C ATOM 901 O PHE A 57 -9.036 -7.919 -1.182 1.00 0.00 O ATOM 902 CB PHE A 57 -10.816 -6.618 -2.913 1.00 0.00 C ATOM 903 CG PHE A 57 -11.350 -6.154 -4.271 1.00 0.00 C ATOM 904 CD1 PHE A 57 -11.750 -4.866 -4.439 1.00 0.00 C ATOM 905 CD2 PHE A 57 -11.424 -7.030 -5.308 1.00 0.00 C ATOM 906 CE1 PHE A 57 -12.246 -4.434 -5.699 1.00 0.00 C ATOM 907 CE2 PHE A 57 -11.919 -6.600 -6.568 1.00 0.00 C ATOM 908 CZ PHE A 57 -12.319 -5.311 -6.736 1.00 0.00 C ATOM 0 H PHE A 57 -8.423 -7.075 -3.946 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.605 -4.922 -2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.692 -7.701 -2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.559 -6.396 -2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.691 -4.171 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.106 -8.053 -5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -12.564 -3.411 -5.833 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.978 -7.296 -7.392 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.695 -4.983 -7.694 1.00 0.00 H new ATOM 918 N LEU A 58 -8.354 -5.914 -0.389 1.00 0.00 N ATOM 919 CA LEU A 58 -7.782 -6.465 0.828 1.00 0.00 C ATOM 920 C LEU A 58 -8.321 -5.694 2.034 1.00 0.00 C ATOM 921 O LEU A 58 -9.108 -4.761 1.878 1.00 0.00 O ATOM 922 CB LEU A 58 -6.254 -6.484 0.742 1.00 0.00 C ATOM 923 CG LEU A 58 -5.648 -7.541 -0.183 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.120 -7.453 -0.187 1.00 0.00 C ATOM 925 CD2 LEU A 58 -6.141 -8.941 0.188 1.00 0.00 C ATOM 0 H LEU A 58 -8.270 -4.901 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.083 -7.505 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.916 -5.502 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.855 -6.636 1.745 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.985 -7.340 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.713 -8.215 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.813 -6.467 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.744 -7.615 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.695 -9.674 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.853 -9.168 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.227 -8.980 0.099 1.00 0.00 H new ATOM 937 N GLY A 59 -7.876 -6.110 3.210 1.00 0.00 N ATOM 938 CA GLY A 59 -8.303 -5.471 4.443 1.00 0.00 C ATOM 939 C GLY A 59 -7.100 -4.984 5.253 1.00 0.00 C ATOM 940 O GLY A 59 -5.980 -4.948 4.748 1.00 0.00 O ATOM 0 H GLY A 59 -7.223 -6.883 3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.956 -4.629 4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.886 -6.174 5.038 1.00 0.00 H new ATOM 944 N PRO A 60 -7.382 -4.611 6.530 1.00 0.00 N ATOM 945 CA PRO A 60 -6.336 -4.126 7.416 1.00 0.00 C ATOM 946 C PRO A 60 -5.458 -5.278 7.910 1.00 0.00 C ATOM 947 O PRO A 60 -4.343 -5.058 8.378 1.00 0.00 O ATOM 948 CB PRO A 60 -7.072 -3.416 8.541 1.00 0.00 C ATOM 949 CG PRO A 60 -8.502 -3.925 8.491 1.00 0.00 C ATOM 950 CD PRO A 60 -8.697 -4.638 7.162 1.00 0.00 C ATOM 0 HA PRO A 60 -5.645 -3.446 6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.614 -3.634 9.506 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.038 -2.335 8.409 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.694 -4.605 9.321 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.205 -3.098 8.587 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.045 -5.661 7.309 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.442 -4.133 6.547 1.00 0.00 H new ATOM 958 N LYS A 61 -5.998 -6.484 7.789 1.00 0.00 N ATOM 959 CA LYS A 61 -5.278 -7.671 8.216 1.00 0.00 C ATOM 960 C LYS A 61 -4.145 -7.960 7.228 1.00 0.00 C ATOM 961 O LYS A 61 -3.148 -8.585 7.586 1.00 0.00 O ATOM 962 CB LYS A 61 -6.242 -8.843 8.406 1.00 0.00 C ATOM 963 CG LYS A 61 -5.495 -10.102 8.850 1.00 0.00 C ATOM 964 CD LYS A 61 -5.644 -10.327 10.356 1.00 0.00 C ATOM 965 CE LYS A 61 -5.840 -11.811 10.673 1.00 0.00 C ATOM 966 NZ LYS A 61 -5.316 -12.127 12.021 1.00 0.00 N ATOM 0 H LYS A 61 -6.925 -6.663 7.402 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.817 -7.506 9.190 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.995 -8.582 9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.770 -9.039 7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.880 -10.967 8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.439 -10.011 8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.759 -9.955 10.872 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.494 -9.756 10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.899 -12.063 10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.329 -12.419 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.457 -13.138 12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.301 -11.905 12.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.822 -11.560 12.732 1.00 0.00 H new ATOM 980 N ASP A 62 -4.339 -7.492 6.004 1.00 0.00 N ATOM 981 CA ASP A 62 -3.347 -7.692 4.961 1.00 0.00 C ATOM 982 C ASP A 62 -2.471 -6.442 4.848 1.00 0.00 C ATOM 983 O ASP A 62 -1.586 -6.375 3.997 1.00 0.00 O ATOM 984 CB ASP A 62 -4.014 -7.927 3.605 1.00 0.00 C ATOM 985 CG ASP A 62 -4.897 -9.173 3.525 1.00 0.00 C ATOM 986 OD1 ASP A 62 -4.317 -10.281 3.521 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.132 -8.991 3.470 1.00 0.00 O ATOM 0 H ASP A 62 -5.168 -6.975 5.711 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.751 -8.565 5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.620 -7.055 3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.238 -8.001 2.843 1.00 0.00 H new ATOM 992 N LEU A 63 -2.750 -5.484 5.719 1.00 0.00 N ATOM 993 CA LEU A 63 -1.999 -4.240 5.728 1.00 0.00 C ATOM 994 C LEU A 63 -1.152 -4.170 7.000 1.00 0.00 C ATOM 995 O LEU A 63 -1.620 -4.519 8.082 1.00 0.00 O ATOM 996 CB LEU A 63 -2.938 -3.046 5.549 1.00 0.00 C ATOM 997 CG LEU A 63 -2.620 -2.111 4.380 1.00 0.00 C ATOM 998 CD1 LEU A 63 -1.115 -2.073 4.101 1.00 0.00 C ATOM 999 CD2 LEU A 63 -3.423 -2.495 3.135 1.00 0.00 C ATOM 0 H LEU A 63 -3.485 -5.544 6.423 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.311 -4.205 4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.953 -3.423 5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.929 -2.461 6.469 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.922 -1.102 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.917 -1.401 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.590 -1.716 4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.766 -3.075 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.178 -1.814 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.175 -3.516 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.489 -2.429 3.355 1.00 0.00 H new ATOM 1011 N PHE A 64 0.082 -3.715 6.827 1.00 0.00 N ATOM 1012 CA PHE A 64 0.998 -3.595 7.948 1.00 0.00 C ATOM 1013 C PHE A 64 1.824 -2.310 7.844 1.00 0.00 C ATOM 1014 O PHE A 64 2.384 -2.011 6.792 1.00 0.00 O ATOM 1015 CB PHE A 64 1.940 -4.798 7.887 1.00 0.00 C ATOM 1016 CG PHE A 64 2.127 -5.511 9.227 1.00 0.00 C ATOM 1017 CD1 PHE A 64 1.049 -5.770 10.016 1.00 0.00 C ATOM 1018 CD2 PHE A 64 3.370 -5.887 9.631 1.00 0.00 C ATOM 1019 CE1 PHE A 64 1.223 -6.431 11.261 1.00 0.00 C ATOM 1020 CE2 PHE A 64 3.545 -6.548 10.874 1.00 0.00 C ATOM 1021 CZ PHE A 64 2.467 -6.806 11.665 1.00 0.00 C ATOM 0 H PHE A 64 0.467 -3.426 5.928 1.00 0.00 H new ATOM 0 HA PHE A 64 0.440 -3.563 8.884 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.555 -5.511 7.158 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.913 -4.466 7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.061 -5.473 9.696 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.225 -5.682 9.004 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.367 -6.636 11.887 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.533 -6.846 11.193 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.599 -7.308 12.612 1.00 0.00 H new ATOM 1031 N PRO A 65 1.873 -1.567 8.982 1.00 0.00 N ATOM 1032 CA PRO A 65 2.620 -0.321 9.030 1.00 0.00 C ATOM 1033 C PRO A 65 4.126 -0.588 9.098 1.00 0.00 C ATOM 1034 O PRO A 65 4.550 -1.725 9.295 1.00 0.00 O ATOM 1035 CB PRO A 65 2.091 0.409 10.254 1.00 0.00 C ATOM 1036 CG PRO A 65 1.404 -0.648 11.105 1.00 0.00 C ATOM 1037 CD PRO A 65 1.221 -1.889 10.248 1.00 0.00 C ATOM 0 HA PRO A 65 2.486 0.284 8.133 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.901 0.887 10.804 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.392 1.195 9.968 1.00 0.00 H new ATOM 0 HG2 PRO A 65 2.003 -0.877 11.986 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.440 -0.284 11.461 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.674 -2.763 10.715 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.165 -2.117 10.102 1.00 0.00 H new ATOM 1045 N TYR A 66 4.891 0.481 8.932 1.00 0.00 N ATOM 1046 CA TYR A 66 6.341 0.376 8.973 1.00 0.00 C ATOM 1047 C TYR A 66 6.819 -0.076 10.353 1.00 0.00 C ATOM 1048 O TYR A 66 7.787 -0.828 10.463 1.00 0.00 O ATOM 1049 CB TYR A 66 6.871 1.785 8.698 1.00 0.00 C ATOM 1050 CG TYR A 66 8.264 2.047 9.275 1.00 0.00 C ATOM 1051 CD1 TYR A 66 9.385 1.599 8.605 1.00 0.00 C ATOM 1052 CD2 TYR A 66 8.400 2.731 10.465 1.00 0.00 C ATOM 1053 CE1 TYR A 66 10.695 1.847 9.146 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.711 2.978 11.008 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.793 2.525 10.322 1.00 0.00 C ATOM 1056 OH TYR A 66 12.032 2.758 10.835 1.00 0.00 O ATOM 0 H TYR A 66 4.535 1.423 8.769 1.00 0.00 H new ATOM 0 HA TYR A 66 6.695 -0.354 8.245 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.898 1.949 7.621 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.174 2.512 9.113 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.279 1.062 7.674 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.523 3.081 10.990 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.580 1.503 8.631 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.831 3.511 11.939 1.00 0.00 H new ATOM 0 HH TYR A 66 11.950 3.253 11.677 1.00 0.00 H new ATOM 1066 N GLU A 67 6.119 0.400 11.373 1.00 0.00 N ATOM 1067 CA GLU A 67 6.460 0.053 12.742 1.00 0.00 C ATOM 1068 C GLU A 67 6.316 -1.455 12.958 1.00 0.00 C ATOM 1069 O GLU A 67 7.231 -2.102 13.468 1.00 0.00 O ATOM 1070 CB GLU A 67 5.601 0.835 13.737 1.00 0.00 C ATOM 1071 CG GLU A 67 6.312 2.109 14.193 1.00 0.00 C ATOM 1072 CD GLU A 67 5.491 2.846 15.254 1.00 0.00 C ATOM 1073 OE1 GLU A 67 5.569 2.421 16.428 1.00 0.00 O ATOM 1074 OE2 GLU A 67 4.805 3.816 14.868 1.00 0.00 O ATOM 0 H GLU A 67 5.317 1.023 11.278 1.00 0.00 H new ATOM 0 HA GLU A 67 7.500 0.328 12.918 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.647 1.092 13.276 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.379 0.209 14.601 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.293 1.858 14.597 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.478 2.763 13.337 1.00 0.00 H new ATOM 1081 N GLU A 68 5.162 -1.971 12.564 1.00 0.00 N ATOM 1082 CA GLU A 68 4.886 -3.390 12.708 1.00 0.00 C ATOM 1083 C GLU A 68 5.778 -4.203 11.767 1.00 0.00 C ATOM 1084 O GLU A 68 6.410 -5.170 12.186 1.00 0.00 O ATOM 1085 CB GLU A 68 3.407 -3.689 12.458 1.00 0.00 C ATOM 1086 CG GLU A 68 2.811 -4.505 13.607 1.00 0.00 C ATOM 1087 CD GLU A 68 2.385 -3.595 14.760 1.00 0.00 C ATOM 1088 OE1 GLU A 68 1.724 -2.577 14.466 1.00 0.00 O ATOM 1089 OE2 GLU A 68 2.730 -3.938 15.912 1.00 0.00 O ATOM 0 H GLU A 68 4.406 -1.431 12.144 1.00 0.00 H new ATOM 0 HA GLU A 68 5.113 -3.682 13.733 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.857 -2.754 12.347 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.296 -4.237 11.522 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.951 -5.071 13.248 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.544 -5.229 13.962 1.00 0.00 H new ATOM 1096 N SER A 69 5.800 -3.779 10.512 1.00 0.00 N ATOM 1097 CA SER A 69 6.603 -4.455 9.507 1.00 0.00 C ATOM 1098 C SER A 69 8.063 -4.516 9.960 1.00 0.00 C ATOM 1099 O SER A 69 8.663 -5.590 9.992 1.00 0.00 O ATOM 1100 CB SER A 69 6.496 -3.753 8.152 1.00 0.00 C ATOM 1101 OG SER A 69 7.548 -2.814 7.952 1.00 0.00 O ATOM 0 H SER A 69 5.274 -2.975 10.168 1.00 0.00 H new ATOM 0 HA SER A 69 6.222 -5.470 9.390 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.518 -4.497 7.356 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.536 -3.242 8.084 1.00 0.00 H new ATOM 0 HG SER A 69 7.445 -2.389 7.075 1.00 0.00 H new ATOM 1107 N LYS A 70 8.594 -3.350 10.297 1.00 0.00 N ATOM 1108 CA LYS A 70 9.972 -3.256 10.746 1.00 0.00 C ATOM 1109 C LYS A 70 10.132 -4.032 12.056 1.00 0.00 C ATOM 1110 O LYS A 70 11.246 -4.383 12.441 1.00 0.00 O ATOM 1111 CB LYS A 70 10.408 -1.793 10.841 1.00 0.00 C ATOM 1112 CG LYS A 70 10.073 -1.209 12.215 1.00 0.00 C ATOM 1113 CD LYS A 70 11.327 -1.098 13.084 1.00 0.00 C ATOM 1114 CE LYS A 70 10.960 -0.827 14.545 1.00 0.00 C ATOM 1115 NZ LYS A 70 11.805 0.253 15.099 1.00 0.00 N ATOM 0 H LYS A 70 8.094 -2.462 10.268 1.00 0.00 H new ATOM 0 HA LYS A 70 10.641 -3.716 10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.480 -1.717 10.661 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.913 -1.211 10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.621 -0.224 12.095 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.336 -1.840 12.712 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.904 -2.020 13.015 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.963 -0.295 12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.909 -0.547 14.616 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.089 -1.736 15.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.543 0.424 16.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.805 -0.028 15.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.662 1.123 14.548 1.00 0.00 H new ATOM 1129 N GLU A 71 9.003 -4.275 12.703 1.00 0.00 N ATOM 1130 CA GLU A 71 9.001 -5.002 13.962 1.00 0.00 C ATOM 1131 C GLU A 71 9.524 -6.425 13.753 1.00 0.00 C ATOM 1132 O GLU A 71 10.405 -6.879 14.481 1.00 0.00 O ATOM 1133 CB GLU A 71 7.605 -5.016 14.586 1.00 0.00 C ATOM 1134 CG GLU A 71 7.688 -5.016 16.114 1.00 0.00 C ATOM 1135 CD GLU A 71 6.296 -5.132 16.738 1.00 0.00 C ATOM 1136 OE1 GLU A 71 5.729 -6.244 16.663 1.00 0.00 O ATOM 1137 OE2 GLU A 71 5.828 -4.105 17.277 1.00 0.00 O ATOM 0 H GLU A 71 8.081 -3.981 12.379 1.00 0.00 H new ATOM 0 HA GLU A 71 9.667 -4.489 14.656 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.043 -4.145 14.249 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.060 -5.897 14.248 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.311 -5.846 16.448 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.169 -4.099 16.456 1.00 0.00 H new ATOM 1144 N LYS A 72 8.958 -7.089 12.756 1.00 0.00 N ATOM 1145 CA LYS A 72 9.354 -8.451 12.443 1.00 0.00 C ATOM 1146 C LYS A 72 10.473 -8.424 11.398 1.00 0.00 C ATOM 1147 O LYS A 72 11.615 -8.768 11.698 1.00 0.00 O ATOM 1148 CB LYS A 72 8.141 -9.280 12.022 1.00 0.00 C ATOM 1149 CG LYS A 72 8.571 -10.633 11.453 1.00 0.00 C ATOM 1150 CD LYS A 72 8.984 -11.592 12.570 1.00 0.00 C ATOM 1151 CE LYS A 72 10.473 -11.932 12.479 1.00 0.00 C ATOM 1152 NZ LYS A 72 10.735 -13.272 13.051 1.00 0.00 N ATOM 0 H LYS A 72 8.228 -6.708 12.154 1.00 0.00 H new ATOM 0 HA LYS A 72 9.754 -8.944 13.329 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.486 -9.434 12.880 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.565 -8.734 11.275 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.752 -11.068 10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.403 -10.493 10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.769 -11.141 13.539 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.394 -12.506 12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.795 -11.905 11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.057 -11.182 13.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.750 -13.487 12.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.446 -13.286 14.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.193 -13.986 12.524 1.00 0.00 H new ATOM 1166 N PHE A 73 10.105 -8.010 10.194 1.00 0.00 N ATOM 1167 CA PHE A 73 11.063 -7.934 9.104 1.00 0.00 C ATOM 1168 C PHE A 73 10.935 -6.606 8.355 1.00 0.00 C ATOM 1169 O PHE A 73 11.920 -5.892 8.176 1.00 0.00 O ATOM 1170 CB PHE A 73 10.740 -9.081 8.145 1.00 0.00 C ATOM 1171 CG PHE A 73 9.326 -9.027 7.563 1.00 0.00 C ATOM 1172 CD1 PHE A 73 8.250 -9.209 8.373 1.00 0.00 C ATOM 1173 CD2 PHE A 73 9.146 -8.796 6.234 1.00 0.00 C ATOM 1174 CE1 PHE A 73 6.937 -9.160 7.833 1.00 0.00 C ATOM 1175 CE2 PHE A 73 7.833 -8.746 5.694 1.00 0.00 C ATOM 1176 CZ PHE A 73 6.757 -8.929 6.506 1.00 0.00 C ATOM 0 H PHE A 73 9.157 -7.724 9.950 1.00 0.00 H new ATOM 0 HA PHE A 73 12.078 -8.004 9.494 1.00 0.00 H new ATOM 0 HB2 PHE A 73 11.459 -9.070 7.326 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.870 -10.027 8.670 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.393 -9.391 9.428 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.001 -8.651 5.590 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.082 -9.306 8.477 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.689 -8.563 4.639 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.759 -8.891 6.096 1.00 0.00 H new ATOM 1186 N GLY A 74 9.712 -6.315 7.935 1.00 0.00 N ATOM 1187 CA GLY A 74 9.443 -5.087 7.208 1.00 0.00 C ATOM 1188 C GLY A 74 10.249 -5.030 5.909 1.00 0.00 C ATOM 1189 O GLY A 74 10.292 -3.994 5.246 1.00 0.00 O ATOM 0 H GLY A 74 8.897 -6.909 8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.379 -5.019 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.692 -4.229 7.832 1.00 0.00 H new ATOM 1193 N LYS A 75 10.869 -6.154 5.586 1.00 0.00 N ATOM 1194 CA LYS A 75 11.673 -6.245 4.378 1.00 0.00 C ATOM 1195 C LYS A 75 11.328 -7.539 3.637 1.00 0.00 C ATOM 1196 O LYS A 75 11.888 -8.595 3.930 1.00 0.00 O ATOM 1197 CB LYS A 75 13.159 -6.105 4.712 1.00 0.00 C ATOM 1198 CG LYS A 75 13.587 -7.138 5.756 1.00 0.00 C ATOM 1199 CD LYS A 75 14.591 -6.538 6.742 1.00 0.00 C ATOM 1200 CE LYS A 75 15.589 -7.593 7.219 1.00 0.00 C ATOM 1201 NZ LYS A 75 15.987 -7.336 8.621 1.00 0.00 N ATOM 0 H LYS A 75 10.832 -7.010 6.139 1.00 0.00 H new ATOM 0 HA LYS A 75 11.443 -5.420 3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.752 -6.231 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.358 -5.101 5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.712 -7.498 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.031 -8.000 5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.125 -5.715 6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.060 -6.121 7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.145 -8.585 7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.470 -7.584 6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.665 -8.062 8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.430 -6.398 8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.146 -7.367 9.232 1.00 0.00 H new ATOM 1215 N PRO A 76 10.384 -7.412 2.666 1.00 0.00 N ATOM 1216 CA PRO A 76 9.958 -8.558 1.883 1.00 0.00 C ATOM 1217 C PRO A 76 11.020 -8.939 0.848 1.00 0.00 C ATOM 1218 O PRO A 76 12.023 -8.245 0.699 1.00 0.00 O ATOM 1219 CB PRO A 76 8.640 -8.137 1.254 1.00 0.00 C ATOM 1220 CG PRO A 76 8.607 -6.619 1.331 1.00 0.00 C ATOM 1221 CD PRO A 76 9.699 -6.178 2.292 1.00 0.00 C ATOM 0 HA PRO A 76 9.826 -9.455 2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.574 -8.477 0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.796 -8.574 1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.767 -6.183 0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.632 -6.275 1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.383 -5.474 1.818 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.280 -5.677 3.165 1.00 0.00 H new ATOM 1229 N ASN A 77 10.760 -10.041 0.160 1.00 0.00 N ATOM 1230 CA ASN A 77 11.680 -10.523 -0.857 1.00 0.00 C ATOM 1231 C ASN A 77 12.055 -9.368 -1.788 1.00 0.00 C ATOM 1232 O ASN A 77 11.182 -8.665 -2.294 1.00 0.00 O ATOM 1233 CB ASN A 77 11.039 -11.624 -1.703 1.00 0.00 C ATOM 1234 CG ASN A 77 10.299 -12.633 -0.823 1.00 0.00 C ATOM 1235 OD1 ASN A 77 9.062 -12.267 -0.500 1.00 0.00 O flip ATOM 1236 ND2 ASN A 77 10.819 -13.676 -0.459 1.00 0.00 N flip ATOM 0 H ASN A 77 9.926 -10.614 0.287 1.00 0.00 H new ATOM 0 HA ASN A 77 12.560 -10.923 -0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.345 -11.181 -2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.807 -12.136 -2.282 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.774 -13.896 -0.743 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.299 -14.327 0.129 1.00 0.00 H new ATOM 1243 N LYS A 78 13.355 -9.209 -1.985 1.00 0.00 N ATOM 1244 CA LYS A 78 13.857 -8.151 -2.847 1.00 0.00 C ATOM 1245 C LYS A 78 13.807 -8.618 -4.302 1.00 0.00 C ATOM 1246 O LYS A 78 14.774 -9.184 -4.809 1.00 0.00 O ATOM 1247 CB LYS A 78 15.246 -7.703 -2.391 1.00 0.00 C ATOM 1248 CG LYS A 78 15.300 -6.184 -2.207 1.00 0.00 C ATOM 1249 CD LYS A 78 15.873 -5.500 -3.449 1.00 0.00 C ATOM 1250 CE LYS A 78 17.388 -5.699 -3.534 1.00 0.00 C ATOM 1251 NZ LYS A 78 17.902 -5.213 -4.834 1.00 0.00 N ATOM 0 H LYS A 78 14.076 -9.794 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 78 13.223 -7.267 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.501 -8.196 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.990 -8.011 -3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.299 -5.803 -2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.913 -5.941 -1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.399 -5.905 -4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.643 -4.435 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.877 -5.164 -2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.630 -6.755 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.931 -5.355 -4.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.448 -5.741 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.688 -4.200 -4.935 1.00 0.00 H new ATOM 1265 N ARG A 79 12.671 -8.365 -4.934 1.00 0.00 N ATOM 1266 CA ARG A 79 12.483 -8.752 -6.322 1.00 0.00 C ATOM 1267 C ARG A 79 12.673 -7.544 -7.241 1.00 0.00 C ATOM 1268 O ARG A 79 13.030 -6.461 -6.783 1.00 0.00 O ATOM 1269 CB ARG A 79 11.088 -9.340 -6.546 1.00 0.00 C ATOM 1270 CG ARG A 79 10.993 -10.758 -5.977 1.00 0.00 C ATOM 1271 CD ARG A 79 11.518 -11.786 -6.979 1.00 0.00 C ATOM 1272 NE ARG A 79 11.600 -13.119 -6.342 1.00 0.00 N ATOM 1273 CZ ARG A 79 10.546 -13.921 -6.137 1.00 0.00 C ATOM 1274 NH1 ARG A 79 9.323 -13.531 -6.522 1.00 0.00 N ATOM 1275 NH2 ARG A 79 10.715 -15.114 -5.551 1.00 0.00 N ATOM 0 H ARG A 79 11.870 -7.896 -4.510 1.00 0.00 H new ATOM 0 HA ARG A 79 13.228 -9.512 -6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.341 -8.703 -6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.863 -9.356 -7.612 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.565 -10.822 -5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.957 -10.985 -5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.860 -11.829 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.502 -11.485 -7.339 1.00 0.00 H new ATOM 0 HE ARG A 79 12.517 -13.448 -6.040 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.195 -12.624 -6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.521 -14.141 -6.366 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.646 -15.412 -5.261 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.912 -15.724 -5.395 1.00 0.00 H new ATOM 1289 N LYS A 80 12.425 -7.772 -8.523 1.00 0.00 N ATOM 1290 CA LYS A 80 12.564 -6.715 -9.511 1.00 0.00 C ATOM 1291 C LYS A 80 11.474 -5.664 -9.284 1.00 0.00 C ATOM 1292 O LYS A 80 11.759 -4.468 -9.250 1.00 0.00 O ATOM 1293 CB LYS A 80 12.569 -7.301 -10.925 1.00 0.00 C ATOM 1294 CG LYS A 80 13.786 -6.813 -11.714 1.00 0.00 C ATOM 1295 CD LYS A 80 13.499 -5.472 -12.393 1.00 0.00 C ATOM 1296 CE LYS A 80 14.605 -4.459 -12.093 1.00 0.00 C ATOM 1297 NZ LYS A 80 14.110 -3.078 -12.292 1.00 0.00 N ATOM 0 H LYS A 80 12.129 -8.672 -8.900 1.00 0.00 H new ATOM 0 HA LYS A 80 13.523 -6.210 -9.397 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.578 -8.390 -10.872 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.655 -7.015 -11.445 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.640 -6.710 -11.045 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.057 -7.554 -12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.415 -5.616 -13.470 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.541 -5.083 -12.048 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.952 -4.583 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.461 -4.642 -12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.873 -2.402 -12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.801 -2.959 -13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.308 -2.901 -11.654 1.00 0.00 H new ATOM 1311 N GLY A 81 10.252 -6.149 -9.138 1.00 0.00 N ATOM 1312 CA GLY A 81 9.118 -5.267 -8.916 1.00 0.00 C ATOM 1313 C GLY A 81 9.150 -4.678 -7.503 1.00 0.00 C ATOM 1314 O GLY A 81 8.348 -3.806 -7.173 1.00 0.00 O ATOM 0 H GLY A 81 10.020 -7.142 -9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.130 -4.461 -9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.189 -5.818 -9.063 1.00 0.00 H new ATOM 1318 N PHE A 82 10.085 -5.177 -6.710 1.00 0.00 N ATOM 1319 CA PHE A 82 10.233 -4.711 -5.342 1.00 0.00 C ATOM 1320 C PHE A 82 11.047 -3.417 -5.287 1.00 0.00 C ATOM 1321 O PHE A 82 10.651 -2.456 -4.627 1.00 0.00 O ATOM 1322 CB PHE A 82 10.983 -5.802 -4.575 1.00 0.00 C ATOM 1323 CG PHE A 82 11.353 -5.415 -3.143 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.257 -4.424 -2.919 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.778 -6.061 -2.092 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.601 -4.064 -1.589 1.00 0.00 C ATOM 1327 CE2 PHE A 82 11.122 -5.700 -0.764 1.00 0.00 C ATOM 1328 CZ PHE A 82 12.026 -4.710 -0.539 1.00 0.00 C ATOM 0 H PHE A 82 10.748 -5.900 -6.988 1.00 0.00 H new ATOM 0 HA PHE A 82 9.252 -4.511 -4.911 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.368 -6.702 -4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.893 -6.053 -5.119 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.713 -3.911 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.060 -6.848 -2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.319 -3.277 -1.411 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.665 -6.212 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.287 -4.437 0.473 1.00 0.00 H new ATOM 1338 N SER A 83 12.170 -3.432 -5.991 1.00 0.00 N ATOM 1339 CA SER A 83 13.044 -2.271 -6.031 1.00 0.00 C ATOM 1340 C SER A 83 12.342 -1.114 -6.747 1.00 0.00 C ATOM 1341 O SER A 83 12.243 -0.014 -6.205 1.00 0.00 O ATOM 1342 CB SER A 83 14.366 -2.601 -6.726 1.00 0.00 C ATOM 1343 OG SER A 83 15.471 -2.532 -5.830 1.00 0.00 O ATOM 0 H SER A 83 12.495 -4.229 -6.538 1.00 0.00 H new ATOM 0 HA SER A 83 13.268 -1.975 -5.006 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.310 -3.601 -7.156 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.525 -1.907 -7.552 1.00 0.00 H new ATOM 0 HG SER A 83 16.296 -2.751 -6.311 1.00 0.00 H new ATOM 1349 N GLU A 84 11.875 -1.402 -7.952 1.00 0.00 N ATOM 1350 CA GLU A 84 11.187 -0.399 -8.747 1.00 0.00 C ATOM 1351 C GLU A 84 9.818 -0.086 -8.138 1.00 0.00 C ATOM 1352 O GLU A 84 9.292 1.012 -8.316 1.00 0.00 O ATOM 1353 CB GLU A 84 11.047 -0.853 -10.201 1.00 0.00 C ATOM 1354 CG GLU A 84 9.758 -1.649 -10.407 1.00 0.00 C ATOM 1355 CD GLU A 84 9.656 -2.170 -11.842 1.00 0.00 C ATOM 1356 OE1 GLU A 84 10.319 -3.191 -12.125 1.00 0.00 O ATOM 1357 OE2 GLU A 84 8.919 -1.533 -12.625 1.00 0.00 O ATOM 0 H GLU A 84 11.959 -2.316 -8.398 1.00 0.00 H new ATOM 0 HA GLU A 84 11.784 0.513 -8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.050 0.016 -10.859 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.905 -1.466 -10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.729 -2.486 -9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.898 -1.018 -10.184 1.00 0.00 H new ATOM 1364 N GLY A 85 9.282 -1.070 -7.430 1.00 0.00 N ATOM 1365 CA GLY A 85 7.985 -0.912 -6.793 1.00 0.00 C ATOM 1366 C GLY A 85 8.067 0.062 -5.616 1.00 0.00 C ATOM 1367 O GLY A 85 7.328 1.043 -5.566 1.00 0.00 O ATOM 0 H GLY A 85 9.722 -1.979 -7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.260 -0.548 -7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.627 -1.881 -6.444 1.00 0.00 H new ATOM 1371 N LEU A 86 8.974 -0.244 -4.699 1.00 0.00 N ATOM 1372 CA LEU A 86 9.162 0.593 -3.526 1.00 0.00 C ATOM 1373 C LEU A 86 9.560 2.002 -3.968 1.00 0.00 C ATOM 1374 O LEU A 86 9.293 2.976 -3.266 1.00 0.00 O ATOM 1375 CB LEU A 86 10.158 -0.053 -2.561 1.00 0.00 C ATOM 1376 CG LEU A 86 11.038 0.909 -1.761 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.019 1.644 -2.677 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.186 1.878 -0.939 1.00 0.00 C ATOM 0 H LEU A 86 9.586 -1.059 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 86 8.229 0.685 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.602 -0.674 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.807 -0.718 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 86 11.630 0.325 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.633 2.322 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.660 0.920 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.464 2.215 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.837 2.550 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.550 2.460 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.563 1.315 -0.244 1.00 0.00 H new ATOM 1390 N TRP A 87 10.194 2.066 -5.130 1.00 0.00 N ATOM 1391 CA TRP A 87 10.632 3.341 -5.674 1.00 0.00 C ATOM 1392 C TRP A 87 9.468 3.944 -6.461 1.00 0.00 C ATOM 1393 O TRP A 87 9.422 5.153 -6.681 1.00 0.00 O ATOM 1394 CB TRP A 87 11.898 3.171 -6.515 1.00 0.00 C ATOM 1395 CG TRP A 87 13.096 3.976 -6.008 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.412 5.246 -6.287 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.129 3.508 -5.116 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.570 5.633 -5.643 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.020 4.541 -4.908 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.306 2.256 -4.504 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.150 4.427 -4.088 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.439 2.157 -3.689 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.346 3.187 -3.468 1.00 0.00 C ATOM 0 H TRP A 87 10.415 1.256 -5.710 1.00 0.00 H new ATOM 0 HA TRP A 87 10.904 4.029 -4.874 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.167 2.115 -6.538 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.682 3.468 -7.541 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.833 5.888 -6.935 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.014 6.550 -5.696 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.621 1.434 -4.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 16.833 5.251 -3.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.622 1.213 -3.197 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.197 3.032 -2.822 1.00 0.00 H new ATOM 1414 N GLU A 88 8.553 3.073 -6.865 1.00 0.00 N ATOM 1415 CA GLU A 88 7.391 3.506 -7.623 1.00 0.00 C ATOM 1416 C GLU A 88 6.415 4.255 -6.715 1.00 0.00 C ATOM 1417 O GLU A 88 5.624 5.071 -7.186 1.00 0.00 O ATOM 1418 CB GLU A 88 6.707 2.318 -8.303 1.00 0.00 C ATOM 1419 CG GLU A 88 6.840 2.406 -9.824 1.00 0.00 C ATOM 1420 CD GLU A 88 5.836 1.482 -10.517 1.00 0.00 C ATOM 1421 OE1 GLU A 88 5.967 0.253 -10.321 1.00 0.00 O ATOM 1422 OE2 GLU A 88 4.962 2.023 -11.227 1.00 0.00 O ATOM 0 H GLU A 88 8.593 2.070 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 88 7.724 4.188 -8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.150 1.387 -7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.653 2.294 -8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.677 3.434 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.853 2.135 -10.120 1.00 0.00 H new ATOM 1429 N ILE A 89 6.500 3.951 -5.429 1.00 0.00 N ATOM 1430 CA ILE A 89 5.632 4.585 -4.450 1.00 0.00 C ATOM 1431 C ILE A 89 6.389 5.728 -3.770 1.00 0.00 C ATOM 1432 O ILE A 89 5.833 6.805 -3.559 1.00 0.00 O ATOM 1433 CB ILE A 89 5.078 3.547 -3.473 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.521 4.220 -2.216 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.132 2.491 -3.137 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.651 4.689 -1.298 1.00 0.00 C ATOM 0 H ILE A 89 7.157 3.274 -5.041 1.00 0.00 H new ATOM 0 HA ILE A 89 4.762 5.024 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 89 4.249 3.031 -3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.901 5.071 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.878 3.522 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.711 1.766 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.440 1.981 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 89 6.997 2.973 -2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.227 5.163 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.254 3.833 -0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.277 5.406 -1.829 1.00 0.00 H new ATOM 1448 N GLU A 90 7.644 5.454 -3.446 1.00 0.00 N ATOM 1449 CA GLU A 90 8.481 6.446 -2.793 1.00 0.00 C ATOM 1450 C GLU A 90 8.965 7.483 -3.809 1.00 0.00 C ATOM 1451 O GLU A 90 9.200 8.638 -3.459 1.00 0.00 O ATOM 1452 CB GLU A 90 9.662 5.784 -2.082 1.00 0.00 C ATOM 1453 CG GLU A 90 9.253 5.271 -0.700 1.00 0.00 C ATOM 1454 CD GLU A 90 10.319 5.601 0.346 1.00 0.00 C ATOM 1455 OE1 GLU A 90 11.261 4.790 0.472 1.00 0.00 O ATOM 1456 OE2 GLU A 90 10.169 6.658 0.997 1.00 0.00 O ATOM 0 H GLU A 90 8.101 4.560 -3.623 1.00 0.00 H new ATOM 0 HA GLU A 90 7.884 6.956 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.036 4.957 -2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.478 6.500 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.303 5.718 -0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.099 4.193 -0.740 1.00 0.00 H new ATOM 1463 N ASN A 91 9.100 7.032 -5.048 1.00 0.00 N ATOM 1464 CA ASN A 91 9.552 7.906 -6.118 1.00 0.00 C ATOM 1465 C ASN A 91 8.645 7.724 -7.336 1.00 0.00 C ATOM 1466 O ASN A 91 9.059 7.148 -8.342 1.00 0.00 O ATOM 1467 CB ASN A 91 10.982 7.568 -6.538 1.00 0.00 C ATOM 1468 CG ASN A 91 11.894 7.423 -5.318 1.00 0.00 C ATOM 1469 OD1 ASN A 91 11.524 6.460 -4.478 1.00 0.00 O flip ATOM 1470 ND2 ASN A 91 12.868 8.138 -5.149 1.00 0.00 N flip ATOM 0 H ASN A 91 8.904 6.073 -5.335 1.00 0.00 H new ATOM 0 HA ASN A 91 9.517 8.932 -5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 91 10.987 6.641 -7.112 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.367 8.350 -7.193 1.00 0.00 H new ATOM 0 HD21 ASN A 91 13.096 8.859 -5.833 1.00 0.00 H new ATOM 0 HD22 ASN A 91 13.454 8.015 -4.323 1.00 0.00 H new ATOM 1477 N ASN A 92 7.425 8.226 -7.206 1.00 0.00 N ATOM 1478 CA ASN A 92 6.456 8.126 -8.284 1.00 0.00 C ATOM 1479 C ASN A 92 6.972 8.897 -9.502 1.00 0.00 C ATOM 1480 O ASN A 92 7.738 9.849 -9.359 1.00 0.00 O ATOM 1481 CB ASN A 92 5.113 8.732 -7.877 1.00 0.00 C ATOM 1482 CG ASN A 92 5.253 10.225 -7.574 1.00 0.00 C ATOM 1483 OD1 ASN A 92 5.899 10.972 -8.291 1.00 0.00 O ATOM 1484 ND2 ASN A 92 4.615 10.618 -6.476 1.00 0.00 N ATOM 0 H ASN A 92 7.086 8.703 -6.371 1.00 0.00 H new ATOM 0 HA ASN A 92 6.319 7.070 -8.516 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.387 8.586 -8.677 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.728 8.214 -6.999 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.648 11.596 -6.189 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.092 9.941 -5.920 1.00 0.00 H new