USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 722 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 87 THR OG1 : rot -122:sc= 0.327 USER MOD Set 1.2: A 109 HIS : no HE2:sc= -1.4 K(o=-1.1,f=-3.6!) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0.666 K(o=1.5,f=-3.5!) USER MOD Set 2.2: A 20 LYS NZ :NH3+ -152:sc= 0.796 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -4.04! C(o=-4!,f=-5.3!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.647 USER MOD Single : A 22 THR OG1 : rot 58:sc= 0.268 USER MOD Single : A 25 HIS : no HE2:sc= -3.38! C(o=-3.4!,f=-9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -136:sc= -0.466 (180deg=-1.66) USER MOD Single : A 37 THR OG1 : rot 90:sc= -0.215 USER MOD Single : A 48 SER OG : rot -105:sc= 0.113 USER MOD Single : A 56 CYS SG : rot 40:sc= -2.75! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.264 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.848 (180deg=-1.55) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= -0.0158 (180deg=-0.136) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -7.75! C(o=-7.8!,f=-12!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 67:sc= -3.53! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -3.21 K(o=-3.2,f=-11!) USER MOD Single : A 106 TYR OH : rot 98:sc= 0.801 USER MOD Single : A 107 THR OG1 : rot 110:sc= 0.222 USER MOD Single : A 111 ASN : amide:sc= -0.0916 X(o=-0.092,f=-0.55) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N ASN A 10 -1.191 -8.709 12.627 1.00 0.00 N ATOM 180 CA ASN A 10 -1.128 -7.923 11.406 1.00 0.00 C ATOM 181 C ASN A 10 -0.222 -8.568 10.362 1.00 0.00 C ATOM 182 O ASN A 10 -0.669 -9.394 9.566 1.00 0.00 O ATOM 183 CB ASN A 10 -0.650 -6.506 11.714 1.00 0.00 C ATOM 184 CG ASN A 10 0.404 -6.461 12.806 1.00 0.00 C ATOM 185 OD1 ASN A 10 1.170 -7.407 12.989 1.00 0.00 O ATOM 186 ND2 ASN A 10 0.445 -5.355 13.539 1.00 0.00 N ATOM 0 HA ASN A 10 -2.134 -7.882 10.990 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.244 -6.060 10.806 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.503 -5.898 12.014 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.131 -5.265 14.289 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.209 -4.595 13.353 1.00 0.00 H new ATOM 193 N ASP A 11 1.051 -8.189 10.370 1.00 0.00 N ATOM 194 CA ASP A 11 2.011 -8.723 9.408 1.00 0.00 C ATOM 195 C ASP A 11 3.262 -9.272 10.096 1.00 0.00 C ATOM 196 O ASP A 11 3.196 -10.276 10.806 1.00 0.00 O ATOM 197 CB ASP A 11 2.394 -7.651 8.384 1.00 0.00 C ATOM 198 CG ASP A 11 3.348 -8.178 7.329 1.00 0.00 C ATOM 199 OD1 ASP A 11 3.011 -9.186 6.674 1.00 0.00 O ATOM 200 OD2 ASP A 11 4.433 -7.585 7.160 1.00 0.00 O ATOM 0 H ASP A 11 1.442 -7.516 11.029 1.00 0.00 H new ATOM 0 HA ASP A 11 1.529 -9.553 8.892 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.492 -7.275 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.855 -6.808 8.899 1.00 0.00 H new ATOM 205 N LYS A 12 4.401 -8.612 9.884 1.00 0.00 N ATOM 206 CA LYS A 12 5.656 -9.052 10.464 1.00 0.00 C ATOM 207 C LYS A 12 6.690 -7.927 10.450 1.00 0.00 C ATOM 208 O LYS A 12 6.661 -7.053 9.584 1.00 0.00 O ATOM 209 CB LYS A 12 6.177 -10.254 9.680 1.00 0.00 C ATOM 210 CG LYS A 12 7.646 -10.542 9.914 1.00 0.00 C ATOM 211 CD LYS A 12 8.128 -11.722 9.082 1.00 0.00 C ATOM 212 CE LYS A 12 8.094 -11.413 7.594 1.00 0.00 C ATOM 213 NZ LYS A 12 8.581 -12.559 6.777 1.00 0.00 N ATOM 0 H LYS A 12 4.473 -7.770 9.313 1.00 0.00 H new ATOM 0 HA LYS A 12 5.484 -9.336 11.502 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.595 -11.134 9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.014 -10.081 8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.234 -9.658 9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.812 -10.750 10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.145 -11.983 9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.503 -12.591 9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.075 -11.164 7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.708 -10.536 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.542 -12.308 5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.562 -12.781 7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.979 -13.389 6.950 1.00 0.00 H new ATOM 227 N TRP A 13 7.600 -7.961 11.418 1.00 0.00 N ATOM 228 CA TRP A 13 8.646 -6.960 11.535 1.00 0.00 C ATOM 229 C TRP A 13 9.990 -7.549 11.099 1.00 0.00 C ATOM 230 O TRP A 13 10.494 -8.470 11.742 1.00 0.00 O ATOM 231 CB TRP A 13 8.719 -6.476 12.989 1.00 0.00 C ATOM 232 CG TRP A 13 7.420 -5.919 13.513 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.160 -6.392 13.265 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.255 -4.788 14.380 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.227 -5.618 13.908 1.00 0.00 N ATOM 236 CE2 TRP A 13 5.870 -4.630 14.601 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.137 -3.891 14.988 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.352 -3.615 15.400 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.622 -2.885 15.784 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.241 -2.754 15.984 1.00 0.00 C ATOM 0 H TRP A 13 7.631 -8.682 12.139 1.00 0.00 H new ATOM 0 HA TRP A 13 8.417 -6.115 10.886 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.029 -7.307 13.623 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.490 -5.710 13.068 1.00 0.00 H new ATOM 0 HD1 TRP A 13 5.933 -7.251 12.651 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.217 -5.757 13.874 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.203 -3.982 14.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.288 -3.511 15.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.296 -2.188 16.260 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.871 -1.957 16.612 1.00 0.00 H new ATOM 251 N VAL A 14 10.581 -7.024 10.015 1.00 0.00 N ATOM 252 CA VAL A 14 11.857 -7.564 9.529 1.00 0.00 C ATOM 253 C VAL A 14 12.731 -6.508 8.868 1.00 0.00 C ATOM 254 O VAL A 14 12.414 -5.320 8.874 1.00 0.00 O ATOM 255 CB VAL A 14 11.637 -8.709 8.520 1.00 0.00 C ATOM 256 CG1 VAL A 14 11.031 -9.924 9.204 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.766 -8.243 7.363 1.00 0.00 C ATOM 0 H VAL A 14 10.207 -6.246 9.471 1.00 0.00 H new ATOM 0 HA VAL A 14 12.369 -7.937 10.416 1.00 0.00 H new ATOM 0 HB VAL A 14 12.607 -9.001 8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.885 -10.718 8.472 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.702 -10.272 9.989 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.070 -9.653 9.642 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.622 -9.065 6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.798 -7.918 7.744 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.253 -7.412 6.853 1.00 0.00 H new ATOM 267 N ASP A 15 13.842 -6.975 8.296 1.00 0.00 N ATOM 268 CA ASP A 15 14.800 -6.110 7.618 1.00 0.00 C ATOM 269 C ASP A 15 14.629 -6.198 6.103 1.00 0.00 C ATOM 270 O ASP A 15 13.675 -6.807 5.618 1.00 0.00 O ATOM 271 CB ASP A 15 16.219 -6.511 8.015 1.00 0.00 C ATOM 272 CG ASP A 15 16.649 -7.822 7.387 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.416 -8.881 8.005 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.219 -7.789 6.275 1.00 0.00 O ATOM 0 H ASP A 15 14.100 -7.962 8.291 1.00 0.00 H new ATOM 0 HA ASP A 15 14.619 -5.078 7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.912 -5.724 7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.279 -6.595 9.100 1.00 0.00 H new ATOM 279 N THR A 16 15.554 -5.592 5.358 1.00 0.00 N ATOM 280 CA THR A 16 15.479 -5.612 3.899 1.00 0.00 C ATOM 281 C THR A 16 16.698 -4.957 3.253 1.00 0.00 C ATOM 282 O THR A 16 17.593 -4.466 3.939 1.00 0.00 O ATOM 283 CB THR A 16 14.214 -4.886 3.400 1.00 0.00 C ATOM 284 OG1 THR A 16 13.844 -5.375 2.105 1.00 0.00 O ATOM 285 CG2 THR A 16 14.439 -3.381 3.328 1.00 0.00 C ATOM 0 H THR A 16 16.355 -5.087 5.736 1.00 0.00 H new ATOM 0 HA THR A 16 15.446 -6.662 3.609 1.00 0.00 H new ATOM 0 HB THR A 16 13.411 -5.085 4.110 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.039 -4.909 1.797 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.531 -2.894 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.690 -3.003 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.257 -3.168 2.640 1.00 0.00 H new ATOM 293 N HIS A 17 16.712 -4.958 1.921 1.00 0.00 N ATOM 294 CA HIS A 17 17.792 -4.347 1.156 1.00 0.00 C ATOM 295 C HIS A 17 17.274 -3.086 0.469 1.00 0.00 C ATOM 296 O HIS A 17 16.444 -2.378 1.030 1.00 0.00 O ATOM 297 CB HIS A 17 18.339 -5.334 0.124 1.00 0.00 C ATOM 298 CG HIS A 17 18.907 -6.580 0.730 1.00 0.00 C ATOM 299 ND1 HIS A 17 18.159 -7.716 0.957 1.00 0.00 N ATOM 300 CD2 HIS A 17 20.160 -6.866 1.156 1.00 0.00 C ATOM 301 CE1 HIS A 17 18.926 -8.646 1.496 1.00 0.00 C ATOM 302 NE2 HIS A 17 20.145 -8.156 1.627 1.00 0.00 N ATOM 0 H HIS A 17 15.981 -5.379 1.348 1.00 0.00 H new ATOM 0 HA HIS A 17 18.605 -4.079 1.831 1.00 0.00 H new ATOM 0 HB2 HIS A 17 17.540 -5.607 -0.565 1.00 0.00 H new ATOM 0 HB3 HIS A 17 19.113 -4.841 -0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 17 21.012 -6.203 1.130 1.00 0.00 H new ATOM 0 HE1 HIS A 17 18.610 -9.639 1.781 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.946 -8.655 2.015 1.00 0.00 H new ATOM 311 N VAL A 18 17.753 -2.801 -0.739 1.00 0.00 N ATOM 312 CA VAL A 18 17.300 -1.614 -1.459 1.00 0.00 C ATOM 313 C VAL A 18 16.359 -1.977 -2.604 1.00 0.00 C ATOM 314 O VAL A 18 16.637 -2.878 -3.396 1.00 0.00 O ATOM 315 CB VAL A 18 18.479 -0.790 -2.012 1.00 0.00 C ATOM 316 CG1 VAL A 18 19.319 -1.623 -2.970 1.00 0.00 C ATOM 317 CG2 VAL A 18 17.969 0.474 -2.694 1.00 0.00 C ATOM 0 H VAL A 18 18.444 -3.365 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 18 16.760 -1.006 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 18 19.116 -0.496 -1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.145 -1.021 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 18 19.714 -2.493 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.700 -1.953 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.813 1.045 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.309 0.202 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.420 1.080 -1.973 1.00 0.00 H new ATOM 327 N GLY A 19 15.239 -1.265 -2.673 1.00 0.00 N ATOM 328 CA GLY A 19 14.255 -1.499 -3.714 1.00 0.00 C ATOM 329 C GLY A 19 13.697 -2.906 -3.706 1.00 0.00 C ATOM 330 O GLY A 19 13.143 -3.356 -4.708 1.00 0.00 O ATOM 0 H GLY A 19 14.994 -0.522 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.436 -0.790 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.710 -1.301 -4.685 1.00 0.00 H new ATOM 334 N LYS A 20 13.850 -3.608 -2.587 1.00 0.00 N ATOM 335 CA LYS A 20 13.333 -4.965 -2.468 1.00 0.00 C ATOM 336 C LYS A 20 11.817 -4.959 -2.635 1.00 0.00 C ATOM 337 O LYS A 20 11.072 -4.941 -1.654 1.00 0.00 O ATOM 338 CB LYS A 20 13.714 -5.562 -1.113 1.00 0.00 C ATOM 339 CG LYS A 20 14.065 -7.033 -1.176 1.00 0.00 C ATOM 340 CD LYS A 20 15.493 -7.208 -1.634 1.00 0.00 C ATOM 341 CE LYS A 20 16.030 -8.587 -1.292 1.00 0.00 C ATOM 342 NZ LYS A 20 17.441 -8.761 -1.735 1.00 0.00 N ATOM 0 H LYS A 20 14.326 -3.261 -1.754 1.00 0.00 H new ATOM 0 HA LYS A 20 13.773 -5.580 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.563 -5.011 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.885 -5.424 -0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.931 -7.489 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.390 -7.547 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.551 -7.052 -2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.120 -6.448 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.966 -8.744 -0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.406 -9.346 -1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.622 -9.766 -1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.605 -8.205 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.083 -8.433 -0.985 1.00 0.00 H new ATOM 356 N THR A 21 11.372 -4.966 -3.888 1.00 0.00 N ATOM 357 CA THR A 21 9.949 -4.938 -4.199 1.00 0.00 C ATOM 358 C THR A 21 9.203 -6.079 -3.519 1.00 0.00 C ATOM 359 O THR A 21 9.254 -7.224 -3.967 1.00 0.00 O ATOM 360 CB THR A 21 9.703 -5.014 -5.717 1.00 0.00 C ATOM 361 OG1 THR A 21 10.629 -4.168 -6.408 1.00 0.00 O ATOM 362 CG2 THR A 21 8.279 -4.593 -6.052 1.00 0.00 C ATOM 0 H THR A 21 11.980 -4.991 -4.706 1.00 0.00 H new ATOM 0 HA THR A 21 9.569 -3.989 -3.821 1.00 0.00 H new ATOM 0 HB THR A 21 9.848 -6.046 -6.036 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.466 -4.224 -7.373 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.126 -4.654 -7.129 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.576 -5.255 -5.547 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.115 -3.568 -5.719 1.00 0.00 H new ATOM 370 N THR A 22 8.512 -5.755 -2.432 1.00 0.00 N ATOM 371 CA THR A 22 7.742 -6.742 -1.692 1.00 0.00 C ATOM 372 C THR A 22 6.255 -6.556 -1.952 1.00 0.00 C ATOM 373 O THR A 22 5.602 -5.709 -1.341 1.00 0.00 O ATOM 374 CB THR A 22 8.020 -6.660 -0.177 1.00 0.00 C ATOM 375 OG1 THR A 22 9.411 -6.891 0.076 1.00 0.00 O ATOM 376 CG2 THR A 22 7.188 -7.677 0.588 1.00 0.00 C ATOM 0 H THR A 22 8.471 -4.812 -2.044 1.00 0.00 H new ATOM 0 HA THR A 22 8.051 -7.727 -2.041 1.00 0.00 H new ATOM 0 HB THR A 22 7.745 -5.662 0.165 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.947 -6.237 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.404 -7.597 1.653 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.129 -7.483 0.417 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.433 -8.681 0.243 1.00 0.00 H new ATOM 384 N GLU A 23 5.735 -7.348 -2.877 1.00 0.00 N ATOM 385 CA GLU A 23 4.337 -7.291 -3.250 1.00 0.00 C ATOM 386 C GLU A 23 3.452 -7.880 -2.165 1.00 0.00 C ATOM 387 O GLU A 23 3.603 -9.040 -1.783 1.00 0.00 O ATOM 388 CB GLU A 23 4.139 -8.046 -4.555 1.00 0.00 C ATOM 389 CG GLU A 23 2.771 -7.836 -5.163 1.00 0.00 C ATOM 390 CD GLU A 23 2.689 -8.320 -6.597 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.008 -9.503 -6.844 1.00 0.00 O ATOM 392 OE2 GLU A 23 2.306 -7.517 -7.473 1.00 0.00 O ATOM 0 H GLU A 23 6.274 -8.047 -3.388 1.00 0.00 H new ATOM 0 HA GLU A 23 4.051 -6.247 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.899 -7.730 -5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.291 -9.111 -4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.027 -8.360 -4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.520 -6.776 -5.127 1.00 0.00 H new ATOM 399 N ILE A 24 2.525 -7.069 -1.674 1.00 0.00 N ATOM 400 CA ILE A 24 1.613 -7.502 -0.632 1.00 0.00 C ATOM 401 C ILE A 24 0.165 -7.487 -1.092 1.00 0.00 C ATOM 402 O ILE A 24 -0.471 -6.436 -1.147 1.00 0.00 O ATOM 403 CB ILE A 24 1.730 -6.598 0.597 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.187 -6.494 1.052 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.838 -7.106 1.721 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.779 -7.802 1.531 1.00 0.00 C ATOM 0 H ILE A 24 2.387 -6.107 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 24 1.895 -8.525 -0.384 1.00 0.00 H new ATOM 0 HB ILE A 24 1.392 -5.598 0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.789 -6.116 0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.254 -5.761 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.934 -6.451 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.199 -7.115 1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.139 -8.117 1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.813 -7.643 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.204 -8.173 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.747 -8.533 0.723 1.00 0.00 H new ATOM 418 N HIS A 25 -0.344 -8.661 -1.429 1.00 0.00 N ATOM 419 CA HIS A 25 -1.729 -8.799 -1.840 1.00 0.00 C ATOM 420 C HIS A 25 -2.592 -9.071 -0.620 1.00 0.00 C ATOM 421 O HIS A 25 -2.450 -10.105 0.036 1.00 0.00 O ATOM 422 CB HIS A 25 -1.902 -9.943 -2.832 1.00 0.00 C ATOM 423 CG HIS A 25 -0.731 -10.166 -3.733 1.00 0.00 C ATOM 424 ND1 HIS A 25 0.152 -11.212 -3.574 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.315 -9.488 -4.829 1.00 0.00 C ATOM 426 CE1 HIS A 25 1.059 -11.170 -4.532 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.798 -10.134 -5.308 1.00 0.00 N ATOM 0 H HIS A 25 0.184 -9.534 -1.425 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.032 -7.871 -2.324 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.098 -10.861 -2.278 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.782 -9.746 -3.444 1.00 0.00 H new ATOM 0 HD1 HIS A 25 0.111 -11.910 -2.831 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.773 -8.604 -5.248 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.876 -11.865 -4.660 1.00 0.00 H new ATOM 436 N LEU A 26 -3.484 -8.147 -0.317 1.00 0.00 N ATOM 437 CA LEU A 26 -4.366 -8.289 0.831 1.00 0.00 C ATOM 438 C LEU A 26 -5.799 -8.485 0.373 1.00 0.00 C ATOM 439 O LEU A 26 -6.208 -7.949 -0.654 1.00 0.00 O ATOM 440 CB LEU A 26 -4.276 -7.059 1.730 1.00 0.00 C ATOM 441 CG LEU A 26 -2.868 -6.702 2.215 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.874 -5.349 2.912 1.00 0.00 C ATOM 443 CD2 LEU A 26 -2.332 -7.778 3.147 1.00 0.00 C ATOM 0 H LEU A 26 -3.619 -7.288 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.050 -9.164 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.683 -6.204 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.912 -7.219 2.601 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.211 -6.643 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.866 -5.110 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.214 -4.583 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.546 -5.384 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.331 -7.505 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.989 -7.871 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.291 -8.730 2.618 1.00 0.00 H new ATOM 455 N LYS A 27 -6.559 -9.247 1.139 1.00 0.00 N ATOM 456 CA LYS A 27 -7.948 -9.508 0.796 1.00 0.00 C ATOM 457 C LYS A 27 -8.876 -8.633 1.622 1.00 0.00 C ATOM 458 O LYS A 27 -8.480 -8.087 2.652 1.00 0.00 O ATOM 459 CB LYS A 27 -8.285 -10.982 1.005 1.00 0.00 C ATOM 460 CG LYS A 27 -7.211 -11.926 0.490 1.00 0.00 C ATOM 461 CD LYS A 27 -7.665 -13.375 0.551 1.00 0.00 C ATOM 462 CE LYS A 27 -6.585 -14.320 0.050 1.00 0.00 C ATOM 463 NZ LYS A 27 -7.019 -15.743 0.114 1.00 0.00 N ATOM 0 H LYS A 27 -6.241 -9.695 1.999 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.090 -9.266 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.439 -11.165 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.226 -11.206 0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.959 -11.666 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.304 -11.803 1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.927 -13.632 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.566 -13.500 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.328 -14.065 -0.978 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.682 -14.189 0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.255 -16.355 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.240 -15.994 1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.866 -15.875 -0.476 1.00 0.00 H new ATOM 477 N GLY A 28 -10.111 -8.508 1.164 1.00 0.00 N ATOM 478 CA GLY A 28 -11.079 -7.688 1.861 1.00 0.00 C ATOM 479 C GLY A 28 -12.371 -7.537 1.085 1.00 0.00 C ATOM 480 O GLY A 28 -12.919 -8.519 0.582 1.00 0.00 O ATOM 0 H GLY A 28 -10.461 -8.961 0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.292 -8.130 2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.651 -6.702 2.045 1.00 0.00 H new ATOM 484 N ASN A 29 -12.854 -6.303 0.982 1.00 0.00 N ATOM 485 CA ASN A 29 -14.088 -6.017 0.260 1.00 0.00 C ATOM 486 C ASN A 29 -14.358 -4.513 0.222 1.00 0.00 C ATOM 487 O ASN A 29 -14.879 -3.951 1.183 1.00 0.00 O ATOM 488 CB ASN A 29 -15.269 -6.741 0.914 1.00 0.00 C ATOM 489 CG ASN A 29 -16.577 -6.486 0.191 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.598 -6.263 -1.020 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.678 -6.518 0.931 1.00 0.00 N ATOM 0 H ASN A 29 -12.407 -5.482 1.391 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.973 -6.376 -0.763 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -15.070 -7.813 0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.361 -6.417 1.951 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.588 -6.354 0.499 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.615 -6.707 1.931 1.00 0.00 H new ATOM 547 N TYR A 34 -14.264 0.540 4.727 1.00 0.00 N ATOM 548 CA TYR A 34 -12.876 0.875 5.034 1.00 0.00 C ATOM 549 C TYR A 34 -11.923 0.296 3.991 1.00 0.00 C ATOM 550 O TYR A 34 -12.110 -0.821 3.511 1.00 0.00 O ATOM 551 CB TYR A 34 -12.491 0.366 6.425 1.00 0.00 C ATOM 552 CG TYR A 34 -13.247 1.025 7.559 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.576 0.704 7.810 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.632 1.964 8.384 1.00 0.00 C ATOM 555 CE1 TYR A 34 -15.269 1.299 8.848 1.00 0.00 C ATOM 556 CE2 TYR A 34 -13.321 2.560 9.423 1.00 0.00 C ATOM 557 CZ TYR A 34 -14.638 2.225 9.650 1.00 0.00 C ATOM 558 OH TYR A 34 -15.327 2.817 10.684 1.00 0.00 O ATOM 0 HA TYR A 34 -12.790 1.961 5.016 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.662 -0.710 6.466 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.423 0.525 6.575 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -15.075 -0.021 7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.600 2.230 8.209 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.301 1.039 9.030 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.829 3.285 10.054 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.738 3.445 11.153 1.00 0.00 H new ATOM 568 N MET A 35 -10.905 1.075 3.649 1.00 0.00 N ATOM 569 CA MET A 35 -9.904 0.678 2.684 1.00 0.00 C ATOM 570 C MET A 35 -8.638 0.187 3.378 1.00 0.00 C ATOM 571 O MET A 35 -8.329 0.587 4.504 1.00 0.00 O ATOM 572 CB MET A 35 -9.568 1.873 1.790 1.00 0.00 C ATOM 573 CG MET A 35 -8.154 1.853 1.241 1.00 0.00 C ATOM 574 SD MET A 35 -7.689 3.407 0.450 1.00 0.00 S ATOM 575 CE MET A 35 -8.948 3.536 -0.818 1.00 0.00 C ATOM 0 H MET A 35 -10.755 2.005 4.040 1.00 0.00 H new ATOM 0 HA MET A 35 -10.303 -0.140 2.084 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.270 1.899 0.957 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.713 2.792 2.359 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.457 1.641 2.052 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.061 1.041 0.520 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.488 3.844 -1.757 1.00 0.00 H new ATOM 0 HE2 MET A 35 -9.432 2.568 -0.950 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.691 4.275 -0.519 1.00 0.00 H new ATOM 585 N TRP A 36 -7.914 -0.680 2.685 1.00 0.00 N ATOM 586 CA TRP A 36 -6.660 -1.218 3.186 1.00 0.00 C ATOM 587 C TRP A 36 -5.500 -0.499 2.506 1.00 0.00 C ATOM 588 O TRP A 36 -5.018 -0.936 1.460 1.00 0.00 O ATOM 589 CB TRP A 36 -6.571 -2.712 2.898 1.00 0.00 C ATOM 590 CG TRP A 36 -6.698 -3.582 4.109 1.00 0.00 C ATOM 591 CD1 TRP A 36 -7.654 -4.529 4.341 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.837 -3.594 5.251 1.00 0.00 C ATOM 593 NE1 TRP A 36 -7.439 -5.128 5.558 1.00 0.00 N ATOM 594 CE2 TRP A 36 -6.332 -4.571 6.135 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.697 -2.874 5.612 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.725 -4.844 7.356 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -4.096 -3.148 6.825 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.612 -4.125 7.683 1.00 0.00 C ATOM 0 H TRP A 36 -8.179 -1.028 1.764 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.612 -1.065 4.264 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.354 -2.980 2.189 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.617 -2.920 2.414 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.461 -4.772 3.666 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -8.012 -5.868 5.965 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.293 -2.117 4.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.120 -5.598 8.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.213 -2.599 7.116 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.119 -4.314 8.625 1.00 0.00 H new ATOM 609 N THR A 37 -5.063 0.606 3.092 1.00 0.00 N ATOM 610 CA THR A 37 -3.981 1.391 2.511 1.00 0.00 C ATOM 611 C THR A 37 -2.931 1.764 3.566 1.00 0.00 C ATOM 612 O THR A 37 -2.957 1.242 4.680 1.00 0.00 O ATOM 613 CB THR A 37 -4.542 2.665 1.856 1.00 0.00 C ATOM 614 OG1 THR A 37 -3.505 3.365 1.162 1.00 0.00 O ATOM 615 CG2 THR A 37 -5.160 3.570 2.907 1.00 0.00 C ATOM 0 H THR A 37 -5.438 0.979 3.964 1.00 0.00 H new ATOM 0 HA THR A 37 -3.495 0.779 1.752 1.00 0.00 H new ATOM 0 HB THR A 37 -5.312 2.375 1.142 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.457 3.046 0.237 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.553 4.467 2.429 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.970 3.043 3.410 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.401 3.851 3.637 1.00 0.00 H new ATOM 623 N ARG A 38 -2.007 2.667 3.219 1.00 0.00 N ATOM 624 CA ARG A 38 -0.956 3.084 4.148 1.00 0.00 C ATOM 625 C ARG A 38 -1.459 4.161 5.113 1.00 0.00 C ATOM 626 O ARG A 38 -2.241 5.033 4.737 1.00 0.00 O ATOM 627 CB ARG A 38 0.278 3.576 3.375 1.00 0.00 C ATOM 628 CG ARG A 38 1.290 2.484 3.104 1.00 0.00 C ATOM 629 CD ARG A 38 2.384 2.948 2.158 1.00 0.00 C ATOM 630 NE ARG A 38 2.763 4.341 2.358 1.00 0.00 N ATOM 631 CZ ARG A 38 3.986 4.719 2.722 1.00 0.00 C ATOM 632 NH1 ARG A 38 4.911 3.808 2.992 1.00 0.00 N ATOM 633 NH2 ARG A 38 4.286 6.005 2.823 1.00 0.00 N ATOM 0 H ARG A 38 -1.967 3.120 2.306 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.670 2.217 4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.044 4.007 2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.758 4.374 3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.736 2.161 4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.784 1.618 2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.262 2.316 2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.048 2.814 1.130 1.00 0.00 H new ATOM 0 HE ARG A 38 2.056 5.062 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.686 2.816 2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.848 4.100 3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.578 6.711 2.621 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.225 6.289 3.102 1.00 0.00 H new ATOM 647 N VAL A 39 -0.997 4.080 6.362 1.00 0.00 N ATOM 648 CA VAL A 39 -1.396 5.023 7.410 1.00 0.00 C ATOM 649 C VAL A 39 -1.165 6.474 6.996 1.00 0.00 C ATOM 650 O VAL A 39 -0.201 6.787 6.298 1.00 0.00 O ATOM 651 CB VAL A 39 -0.628 4.757 8.721 1.00 0.00 C ATOM 652 CG1 VAL A 39 -1.080 5.716 9.813 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.807 3.315 9.166 1.00 0.00 C ATOM 0 H VAL A 39 -0.341 3.365 6.675 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.463 4.867 7.568 1.00 0.00 H new ATOM 0 HB VAL A 39 0.432 4.927 8.535 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.526 5.511 10.729 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.892 6.742 9.497 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.146 5.582 9.996 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.257 3.149 10.092 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.865 3.114 9.331 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.427 2.646 8.394 1.00 0.00 H new ATOM 663 N GLY A 40 -2.061 7.355 7.443 1.00 0.00 N ATOM 664 CA GLY A 40 -1.948 8.770 7.128 1.00 0.00 C ATOM 665 C GLY A 40 -1.941 9.042 5.638 1.00 0.00 C ATOM 666 O GLY A 40 -1.731 10.176 5.208 1.00 0.00 O ATOM 0 H GLY A 40 -2.866 7.111 8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.778 9.307 7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.032 9.163 7.569 1.00 0.00 H new ATOM 670 N PHE A 41 -2.178 8.001 4.849 1.00 0.00 N ATOM 671 CA PHE A 41 -2.190 8.123 3.400 1.00 0.00 C ATOM 672 C PHE A 41 -3.469 7.547 2.824 1.00 0.00 C ATOM 673 O PHE A 41 -3.505 7.064 1.692 1.00 0.00 O ATOM 674 CB PHE A 41 -0.963 7.428 2.820 1.00 0.00 C ATOM 675 CG PHE A 41 0.315 8.041 3.311 1.00 0.00 C ATOM 676 CD1 PHE A 41 0.464 9.416 3.323 1.00 0.00 C ATOM 677 CD2 PHE A 41 1.351 7.252 3.776 1.00 0.00 C ATOM 678 CE1 PHE A 41 1.628 9.999 3.784 1.00 0.00 C ATOM 679 CE2 PHE A 41 2.520 7.829 4.242 1.00 0.00 C ATOM 680 CZ PHE A 41 2.658 9.203 4.243 1.00 0.00 C ATOM 0 H PHE A 41 -2.365 7.059 5.193 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.155 9.178 3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.984 6.372 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.996 7.482 1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.341 10.042 2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.247 6.177 3.776 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.732 11.074 3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.323 7.205 4.604 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.571 9.654 4.603 1.00 0.00 H new ATOM 690 N VAL A 42 -4.521 7.615 3.623 1.00 0.00 N ATOM 691 CA VAL A 42 -5.828 7.114 3.223 1.00 0.00 C ATOM 692 C VAL A 42 -6.392 7.925 2.061 1.00 0.00 C ATOM 693 O VAL A 42 -6.362 9.155 2.074 1.00 0.00 O ATOM 694 CB VAL A 42 -6.823 7.146 4.400 1.00 0.00 C ATOM 695 CG1 VAL A 42 -6.936 8.550 4.975 1.00 0.00 C ATOM 696 CG2 VAL A 42 -8.184 6.626 3.966 1.00 0.00 C ATOM 0 H VAL A 42 -4.495 8.016 4.561 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.693 6.080 2.904 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.444 6.491 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.644 8.548 5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.959 8.877 5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.286 9.233 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.872 6.657 4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.571 7.249 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.086 5.599 3.615 1.00 0.00 H new ATOM 706 N GLY A 43 -6.904 7.224 1.053 1.00 0.00 N ATOM 707 CA GLY A 43 -7.467 7.893 -0.105 1.00 0.00 C ATOM 708 C GLY A 43 -6.433 8.156 -1.182 1.00 0.00 C ATOM 709 O GLY A 43 -6.776 8.336 -2.350 1.00 0.00 O ATOM 0 H GLY A 43 -6.939 6.205 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.270 7.283 -0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.912 8.838 0.206 1.00 0.00 H new ATOM 763 N LEU A 47 0.736 6.673 -1.819 1.00 0.00 N ATOM 764 CA LEU A 47 0.913 6.563 -0.376 1.00 0.00 C ATOM 765 C LEU A 47 2.314 7.004 0.039 1.00 0.00 C ATOM 766 O LEU A 47 2.476 7.921 0.844 1.00 0.00 O ATOM 767 CB LEU A 47 0.637 5.136 0.094 1.00 0.00 C ATOM 768 CG LEU A 47 -0.545 4.441 -0.595 1.00 0.00 C ATOM 769 CD1 LEU A 47 -0.691 3.011 -0.095 1.00 0.00 C ATOM 770 CD2 LEU A 47 -1.833 5.219 -0.373 1.00 0.00 C ATOM 0 HA LEU A 47 0.194 7.228 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.534 4.537 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.453 5.153 1.168 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.345 4.412 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.534 2.535 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.221 2.455 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.864 3.018 0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.657 4.708 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.039 5.285 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.727 6.223 -0.785 1.00 0.00 H new ATOM 782 N SER A 48 3.320 6.341 -0.516 1.00 0.00 N ATOM 783 CA SER A 48 4.714 6.654 -0.231 1.00 0.00 C ATOM 784 C SER A 48 5.087 8.060 -0.695 1.00 0.00 C ATOM 785 O SER A 48 4.217 8.896 -0.941 1.00 0.00 O ATOM 786 CB SER A 48 5.605 5.633 -0.922 1.00 0.00 C ATOM 787 OG SER A 48 5.366 5.605 -2.318 1.00 0.00 O ATOM 0 H SER A 48 3.193 5.573 -1.175 1.00 0.00 H new ATOM 0 HA SER A 48 4.858 6.615 0.849 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.651 5.874 -0.734 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.425 4.644 -0.500 1.00 0.00 H new ATOM 0 HG SER A 48 4.857 4.799 -2.547 1.00 0.00 H new ATOM 793 N ASP A 49 6.392 8.315 -0.815 1.00 0.00 N ATOM 794 CA ASP A 49 6.879 9.620 -1.246 1.00 0.00 C ATOM 795 C ASP A 49 8.325 9.534 -1.712 1.00 0.00 C ATOM 796 O ASP A 49 8.611 9.608 -2.907 1.00 0.00 O ATOM 797 CB ASP A 49 6.776 10.633 -0.106 1.00 0.00 C ATOM 798 CG ASP A 49 6.503 12.039 -0.604 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.316 12.400 -0.742 1.00 0.00 O ATOM 800 OD2 ASP A 49 7.478 12.779 -0.857 1.00 0.00 O ATOM 0 H ASP A 49 7.126 7.634 -0.619 1.00 0.00 H new ATOM 0 HA ASP A 49 6.257 9.947 -2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.980 10.331 0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.704 10.627 0.466 1.00 0.00 H new ATOM 805 N GLU A 50 9.234 9.385 -0.756 1.00 0.00 N ATOM 806 CA GLU A 50 10.654 9.303 -1.058 1.00 0.00 C ATOM 807 C GLU A 50 11.373 8.296 -0.157 1.00 0.00 C ATOM 808 O GLU A 50 12.429 7.780 -0.515 1.00 0.00 O ATOM 809 CB GLU A 50 11.273 10.683 -0.891 1.00 0.00 C ATOM 810 CG GLU A 50 11.320 11.148 0.552 1.00 0.00 C ATOM 811 CD GLU A 50 11.955 12.515 0.707 1.00 0.00 C ATOM 812 OE1 GLU A 50 13.190 12.581 0.886 1.00 0.00 O ATOM 813 OE2 GLU A 50 11.218 13.522 0.651 1.00 0.00 O ATOM 0 H GLU A 50 9.010 9.319 0.237 1.00 0.00 H new ATOM 0 HA GLU A 50 10.767 8.957 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.285 10.671 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.704 11.403 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.307 11.175 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.879 10.423 1.145 1.00 0.00 H new ATOM 820 N ILE A 51 10.806 8.032 1.017 1.00 0.00 N ATOM 821 CA ILE A 51 11.400 7.093 1.962 1.00 0.00 C ATOM 822 C ILE A 51 11.301 5.663 1.464 1.00 0.00 C ATOM 823 O ILE A 51 12.308 5.022 1.168 1.00 0.00 O ATOM 824 CB ILE A 51 10.709 7.178 3.325 1.00 0.00 C ATOM 825 CG1 ILE A 51 10.530 8.638 3.714 1.00 0.00 C ATOM 826 CG2 ILE A 51 11.507 6.422 4.379 1.00 0.00 C ATOM 827 CD1 ILE A 51 11.824 9.421 3.795 1.00 0.00 C ATOM 0 H ILE A 51 9.935 8.456 1.336 1.00 0.00 H new ATOM 0 HA ILE A 51 12.450 7.369 2.059 1.00 0.00 H new ATOM 0 HB ILE A 51 9.726 6.711 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.873 9.118 2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.028 8.686 4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.999 6.494 5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.590 5.374 4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.504 6.856 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.609 10.451 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.477 8.969 4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.319 9.407 2.824 1.00 0.00 H new ATOM 839 N LEU A 52 10.076 5.170 1.394 1.00 0.00 N ATOM 840 CA LEU A 52 9.820 3.811 0.938 1.00 0.00 C ATOM 841 C LEU A 52 8.991 3.812 -0.339 1.00 0.00 C ATOM 842 O LEU A 52 7.799 4.088 -0.298 1.00 0.00 O ATOM 843 CB LEU A 52 9.074 3.029 2.022 1.00 0.00 C ATOM 844 CG LEU A 52 9.703 1.695 2.418 1.00 0.00 C ATOM 845 CD1 LEU A 52 8.864 1.006 3.484 1.00 0.00 C ATOM 846 CD2 LEU A 52 9.864 0.796 1.202 1.00 0.00 C ATOM 0 H LEU A 52 9.238 5.693 1.648 1.00 0.00 H new ATOM 0 HA LEU A 52 10.780 3.337 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.000 3.655 2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.057 2.844 1.677 1.00 0.00 H new ATOM 0 HG LEU A 52 10.692 1.892 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.327 0.057 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.801 1.643 4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.862 0.823 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.314 -0.149 1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.887 0.607 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.507 1.285 0.470 1.00 0.00 H new ATOM 858 N GLU A 53 9.624 3.517 -1.470 1.00 0.00 N ATOM 859 CA GLU A 53 8.928 3.473 -2.743 1.00 0.00 C ATOM 860 C GLU A 53 7.802 2.450 -2.707 1.00 0.00 C ATOM 861 O GLU A 53 7.966 1.312 -3.143 1.00 0.00 O ATOM 862 CB GLU A 53 9.920 3.127 -3.842 1.00 0.00 C ATOM 863 CG GLU A 53 9.840 4.047 -5.031 1.00 0.00 C ATOM 864 CD GLU A 53 8.882 3.554 -6.098 1.00 0.00 C ATOM 865 OE1 GLU A 53 7.686 3.907 -6.031 1.00 0.00 O ATOM 866 OE2 GLU A 53 9.328 2.817 -7.002 1.00 0.00 O ATOM 0 H GLU A 53 10.620 3.305 -1.527 1.00 0.00 H new ATOM 0 HA GLU A 53 8.488 4.450 -2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.930 3.161 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.743 2.103 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.526 5.036 -4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.834 4.157 -5.465 1.00 0.00 H new ATOM 873 N VAL A 54 6.656 2.866 -2.188 1.00 0.00 N ATOM 874 CA VAL A 54 5.509 1.979 -2.072 1.00 0.00 C ATOM 875 C VAL A 54 4.560 2.126 -3.249 1.00 0.00 C ATOM 876 O VAL A 54 3.673 2.980 -3.239 1.00 0.00 O ATOM 877 CB VAL A 54 4.713 2.234 -0.779 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.597 1.215 -0.639 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.623 2.204 0.437 1.00 0.00 C ATOM 0 H VAL A 54 6.496 3.812 -1.841 1.00 0.00 H new ATOM 0 HA VAL A 54 5.918 0.969 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 54 4.271 3.229 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.042 1.407 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.924 1.293 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.022 0.212 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.035 2.387 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.102 1.227 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.386 2.976 0.339 1.00 0.00 H new ATOM 889 N VAL A 55 4.749 1.297 -4.265 1.00 0.00 N ATOM 890 CA VAL A 55 3.875 1.324 -5.420 1.00 0.00 C ATOM 891 C VAL A 55 2.646 0.479 -5.136 1.00 0.00 C ATOM 892 O VAL A 55 2.531 -0.659 -5.586 1.00 0.00 O ATOM 893 CB VAL A 55 4.558 0.803 -6.685 1.00 0.00 C ATOM 894 CG1 VAL A 55 3.641 0.981 -7.882 1.00 0.00 C ATOM 895 CG2 VAL A 55 5.887 1.508 -6.906 1.00 0.00 C ATOM 0 H VAL A 55 5.495 0.603 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 55 3.602 2.364 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 55 4.762 -0.261 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.136 0.607 -8.778 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.718 0.425 -7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.410 2.039 -8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.357 1.123 -7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.717 2.579 -7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.541 1.328 -6.053 1.00 0.00 H new ATOM 905 N CYS A 56 1.746 1.052 -4.366 1.00 0.00 N ATOM 906 CA CYS A 56 0.520 0.376 -3.975 1.00 0.00 C ATOM 907 C CYS A 56 -0.609 0.680 -4.942 1.00 0.00 C ATOM 908 O CYS A 56 -0.817 1.830 -5.332 1.00 0.00 O ATOM 909 CB CYS A 56 0.114 0.793 -2.560 1.00 0.00 C ATOM 910 SG CYS A 56 -1.546 0.261 -2.082 1.00 0.00 S ATOM 0 H CYS A 56 1.840 1.997 -3.993 1.00 0.00 H new ATOM 0 HA CYS A 56 0.710 -0.697 -3.996 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.834 0.383 -1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.173 1.879 -2.482 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.760 -0.942 -2.525 1.00 0.00 H new ATOM 916 N LYS A 57 -1.335 -0.359 -5.326 1.00 0.00 N ATOM 917 CA LYS A 57 -2.452 -0.208 -6.239 1.00 0.00 C ATOM 918 C LYS A 57 -3.688 -0.891 -5.678 1.00 0.00 C ATOM 919 O LYS A 57 -3.693 -2.099 -5.432 1.00 0.00 O ATOM 920 CB LYS A 57 -2.111 -0.792 -7.607 1.00 0.00 C ATOM 921 CG LYS A 57 -0.763 -0.338 -8.146 1.00 0.00 C ATOM 922 CD LYS A 57 -0.477 -0.931 -9.516 1.00 0.00 C ATOM 923 CE LYS A 57 -0.304 -2.441 -9.451 1.00 0.00 C ATOM 924 NZ LYS A 57 -0.015 -3.027 -10.788 1.00 0.00 N ATOM 0 H LYS A 57 -1.168 -1.317 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.657 0.856 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.118 -1.880 -7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.889 -0.511 -8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.744 0.750 -8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.024 -0.631 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.294 -0.687 -10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.426 -0.479 -9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.508 -2.684 -8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.209 -2.893 -9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.096 -4.057 -10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.801 -2.818 -11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.863 -2.616 -11.165 1.00 0.00 H new ATOM 938 N TYR A 58 -4.728 -0.105 -5.464 1.00 0.00 N ATOM 939 CA TYR A 58 -5.979 -0.627 -4.945 1.00 0.00 C ATOM 940 C TYR A 58 -6.809 -1.177 -6.101 1.00 0.00 C ATOM 941 O TYR A 58 -7.472 -0.425 -6.813 1.00 0.00 O ATOM 942 CB TYR A 58 -6.741 0.474 -4.197 1.00 0.00 C ATOM 943 CG TYR A 58 -7.905 -0.028 -3.374 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.910 -0.797 -3.957 1.00 0.00 C ATOM 945 CD2 TYR A 58 -8.006 0.268 -2.016 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.982 -1.255 -3.220 1.00 0.00 C ATOM 947 CE2 TYR A 58 -9.080 -0.191 -1.274 1.00 0.00 C ATOM 948 CZ TYR A 58 -10.063 -0.948 -1.880 1.00 0.00 C ATOM 949 OH TYR A 58 -11.129 -1.399 -1.137 1.00 0.00 O ATOM 0 H TYR A 58 -4.731 0.899 -5.642 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.778 -1.433 -4.239 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.047 1.000 -3.541 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.109 1.201 -4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.848 -1.039 -5.008 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.240 0.861 -1.539 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.752 -1.849 -3.690 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.149 0.043 -0.222 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.033 -1.096 -0.210 1.00 0.00 H new ATOM 959 N THR A 59 -6.758 -2.494 -6.284 1.00 0.00 N ATOM 960 CA THR A 59 -7.481 -3.149 -7.369 1.00 0.00 C ATOM 961 C THR A 59 -8.877 -3.596 -6.947 1.00 0.00 C ATOM 962 O THR A 59 -9.026 -4.538 -6.172 1.00 0.00 O ATOM 963 CB THR A 59 -6.712 -4.378 -7.885 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.360 -4.017 -8.196 1.00 0.00 O ATOM 965 CG2 THR A 59 -7.382 -4.959 -9.121 1.00 0.00 C ATOM 0 H THR A 59 -6.222 -3.129 -5.693 1.00 0.00 H new ATOM 0 HA THR A 59 -7.574 -2.406 -8.161 1.00 0.00 H new ATOM 0 HB THR A 59 -6.715 -5.134 -7.100 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.878 -4.805 -8.522 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.819 -5.826 -9.466 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.400 -5.261 -8.875 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.407 -4.206 -9.909 1.00 0.00 H new ATOM 973 N PRO A 60 -9.918 -2.916 -7.453 1.00 0.00 N ATOM 974 CA PRO A 60 -11.300 -3.233 -7.166 1.00 0.00 C ATOM 975 C PRO A 60 -11.955 -3.982 -8.327 1.00 0.00 C ATOM 976 O PRO A 60 -12.449 -3.366 -9.272 1.00 0.00 O ATOM 977 CB PRO A 60 -11.887 -1.834 -7.018 1.00 0.00 C ATOM 978 CG PRO A 60 -11.123 -0.998 -8.006 1.00 0.00 C ATOM 979 CD PRO A 60 -9.849 -1.742 -8.327 1.00 0.00 C ATOM 0 HA PRO A 60 -11.442 -3.882 -6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.955 -1.827 -7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.765 -1.458 -6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -11.712 -0.835 -8.909 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.901 -0.016 -7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.802 -2.025 -9.379 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.966 -1.137 -8.120 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.757 -6.489 -4.192 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.736 -6.659 -3.171 1.00 0.00 C ATOM 1137 C ILE A 73 -6.925 -5.386 -2.997 1.00 0.00 C ATOM 1138 O ILE A 73 -7.326 -4.312 -3.446 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.765 -7.810 -3.493 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -6.049 -7.573 -4.820 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.477 -9.150 -3.498 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.654 -8.159 -4.841 1.00 0.00 C ATOM 0 HA ILE A 73 -8.269 -6.898 -2.251 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.014 -7.833 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.635 -8.011 -5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.992 -6.501 -5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.763 -9.941 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.916 -9.332 -2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.264 -9.141 -4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.191 -7.961 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.056 -7.703 -4.052 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.709 -9.235 -4.678 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.779 -5.517 -2.339 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.900 -4.387 -2.096 1.00 0.00 C ATOM 1156 C TYR A 74 -3.443 -4.802 -2.276 1.00 0.00 C ATOM 1157 O TYR A 74 -2.849 -5.405 -1.383 1.00 0.00 O ATOM 1158 CB TYR A 74 -5.120 -3.856 -0.676 1.00 0.00 C ATOM 1159 CG TYR A 74 -6.539 -4.029 -0.174 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.946 -5.211 0.436 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -7.470 -3.011 -0.307 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -8.237 -5.368 0.899 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -8.765 -3.164 0.155 1.00 0.00 C ATOM 1164 CZ TYR A 74 -9.143 -4.343 0.757 1.00 0.00 C ATOM 1165 OH TYR A 74 -10.430 -4.496 1.217 1.00 0.00 O ATOM 0 H TYR A 74 -5.438 -6.402 -1.963 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.131 -3.600 -2.814 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.439 -4.368 0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.861 -2.798 -0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.240 -6.020 0.549 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.180 -2.084 -0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.535 -6.293 1.371 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.478 -2.360 0.044 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.940 -3.678 1.039 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.868 -4.484 -3.435 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.486 -4.832 -3.713 1.00 0.00 C ATOM 1177 C VAL A 75 -0.575 -3.687 -3.310 1.00 0.00 C ATOM 1178 O VAL A 75 -0.842 -2.526 -3.617 1.00 0.00 O ATOM 1179 CB VAL A 75 -1.260 -5.193 -5.197 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -1.440 -3.983 -6.097 1.00 0.00 C ATOM 1181 CG2 VAL A 75 0.116 -5.806 -5.390 1.00 0.00 C ATOM 0 H VAL A 75 -3.340 -3.988 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.247 -5.718 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.013 -5.929 -5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.274 -4.273 -7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.453 -3.595 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.723 -3.211 -5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.259 -6.055 -6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.879 -5.093 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.199 -6.711 -4.789 1.00 0.00 H new ATOM 1191 N VAL A 76 0.491 -4.018 -2.606 1.00 0.00 N ATOM 1192 CA VAL A 76 1.426 -3.004 -2.134 1.00 0.00 C ATOM 1193 C VAL A 76 2.885 -3.368 -2.400 1.00 0.00 C ATOM 1194 O VAL A 76 3.476 -4.162 -1.667 1.00 0.00 O ATOM 1195 CB VAL A 76 1.254 -2.770 -0.621 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.158 -1.645 -0.150 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.199 -2.478 -0.281 1.00 0.00 C ATOM 0 H VAL A 76 0.734 -4.974 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 76 1.192 -2.099 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 76 1.544 -3.681 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.023 -1.494 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.197 -1.905 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.904 -0.728 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.296 -2.316 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.525 -1.584 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.819 -3.324 -0.578 1.00 0.00 H new ATOM 1207 N LEU A 77 3.458 -2.797 -3.460 1.00 0.00 N ATOM 1208 CA LEU A 77 4.855 -3.027 -3.782 1.00 0.00 C ATOM 1209 C LEU A 77 5.733 -2.099 -2.962 1.00 0.00 C ATOM 1210 O LEU A 77 5.838 -0.911 -3.255 1.00 0.00 O ATOM 1211 CB LEU A 77 5.102 -2.779 -5.266 1.00 0.00 C ATOM 1212 CG LEU A 77 4.408 -3.762 -6.208 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.952 -5.163 -5.995 1.00 0.00 C ATOM 1214 CD2 LEU A 77 2.897 -3.741 -6.025 1.00 0.00 C ATOM 0 H LEU A 77 2.972 -2.174 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 77 5.101 -4.063 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.771 -1.769 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.175 -2.817 -5.452 1.00 0.00 H new ATOM 0 HG LEU A 77 4.618 -3.452 -7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.450 -5.855 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.023 -5.172 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.774 -5.470 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.437 -4.452 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.651 -4.016 -4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.519 -2.740 -6.233 1.00 0.00 H new ATOM 1226 N VAL A 78 6.365 -2.639 -1.935 1.00 0.00 N ATOM 1227 CA VAL A 78 7.218 -1.835 -1.077 1.00 0.00 C ATOM 1228 C VAL A 78 8.674 -1.930 -1.519 1.00 0.00 C ATOM 1229 O VAL A 78 9.299 -2.984 -1.415 1.00 0.00 O ATOM 1230 CB VAL A 78 7.088 -2.251 0.398 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.691 -1.055 1.257 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.084 -3.382 0.557 1.00 0.00 C ATOM 0 H VAL A 78 6.305 -3.624 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 78 6.887 -0.800 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 78 8.059 -2.612 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.603 -1.367 2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.452 -0.279 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.734 -0.663 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.010 -3.658 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.108 -3.055 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.413 -4.245 -0.022 1.00 0.00 H new ATOM 1242 N LYS A 79 9.204 -0.814 -2.013 1.00 0.00 N ATOM 1243 CA LYS A 79 10.578 -0.759 -2.496 1.00 0.00 C ATOM 1244 C LYS A 79 11.406 0.237 -1.684 1.00 0.00 C ATOM 1245 O LYS A 79 11.303 1.444 -1.889 1.00 0.00 O ATOM 1246 CB LYS A 79 10.595 -0.361 -3.974 1.00 0.00 C ATOM 1247 CG LYS A 79 10.394 -1.530 -4.927 1.00 0.00 C ATOM 1248 CD LYS A 79 10.428 -1.078 -6.378 1.00 0.00 C ATOM 1249 CE LYS A 79 9.179 -0.295 -6.749 1.00 0.00 C ATOM 1250 NZ LYS A 79 7.945 -1.114 -6.595 1.00 0.00 N ATOM 0 H LYS A 79 8.698 0.068 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 79 11.020 -1.749 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.814 0.378 -4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.546 0.121 -4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.171 -2.276 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.439 -2.012 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.309 -0.459 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.520 -1.948 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.107 0.593 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.260 0.050 -7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.152 -0.641 -7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.095 -2.052 -7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.724 -1.223 -5.585 1.00 0.00 H new ATOM 1264 N PRO A 80 12.233 -0.255 -0.743 1.00 0.00 N ATOM 1265 CA PRO A 80 13.073 0.605 0.093 1.00 0.00 C ATOM 1266 C PRO A 80 13.853 1.625 -0.728 1.00 0.00 C ATOM 1267 O PRO A 80 14.870 1.304 -1.344 1.00 0.00 O ATOM 1268 CB PRO A 80 14.025 -0.367 0.799 1.00 0.00 C ATOM 1269 CG PRO A 80 13.787 -1.708 0.184 1.00 0.00 C ATOM 1270 CD PRO A 80 12.410 -1.672 -0.408 1.00 0.00 C ATOM 0 HA PRO A 80 12.475 1.196 0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 80 15.062 -0.058 0.669 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.831 -0.391 1.871 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.532 -1.920 -0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.866 -2.497 0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.333 -2.308 -1.290 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.657 -2.017 0.300 1.00 0.00 H new ATOM 1278 N ARG A 81 13.358 2.855 -0.729 1.00 0.00 N ATOM 1279 CA ARG A 81 13.978 3.945 -1.466 1.00 0.00 C ATOM 1280 C ARG A 81 15.242 4.441 -0.772 1.00 0.00 C ATOM 1281 O ARG A 81 16.255 4.703 -1.422 1.00 0.00 O ATOM 1282 CB ARG A 81 12.974 5.085 -1.602 1.00 0.00 C ATOM 1283 CG ARG A 81 12.511 5.333 -3.018 1.00 0.00 C ATOM 1284 CD ARG A 81 11.286 6.226 -3.027 1.00 0.00 C ATOM 1285 NE ARG A 81 11.100 6.894 -4.313 1.00 0.00 N ATOM 1286 CZ ARG A 81 9.929 7.355 -4.744 1.00 0.00 C ATOM 1287 NH1 ARG A 81 8.839 7.202 -4.004 1.00 0.00 N ATOM 1288 NH2 ARG A 81 9.847 7.964 -5.919 1.00 0.00 N ATOM 0 H ARG A 81 12.516 3.124 -0.219 1.00 0.00 H new ATOM 0 HA ARG A 81 14.267 3.580 -2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.106 4.866 -0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.423 5.999 -1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.312 5.798 -3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.280 4.384 -3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.402 5.630 -2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.378 6.975 -2.240 1.00 0.00 H new ATOM 0 HE ARG A 81 11.915 7.014 -4.915 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.897 6.730 -3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.943 7.557 -4.337 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.682 8.079 -6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.949 8.317 -6.249 1.00 0.00 H new ATOM 1302 N LYS A 82 15.177 4.568 0.548 1.00 0.00 N ATOM 1303 CA LYS A 82 16.315 5.040 1.328 1.00 0.00 C ATOM 1304 C LYS A 82 16.848 3.939 2.239 1.00 0.00 C ATOM 1305 O LYS A 82 16.147 2.972 2.534 1.00 0.00 O ATOM 1306 CB LYS A 82 15.917 6.258 2.165 1.00 0.00 C ATOM 1307 CG LYS A 82 15.391 7.420 1.342 1.00 0.00 C ATOM 1308 CD LYS A 82 15.021 8.601 2.224 1.00 0.00 C ATOM 1309 CE LYS A 82 14.394 9.726 1.418 1.00 0.00 C ATOM 1310 NZ LYS A 82 15.317 10.239 0.369 1.00 0.00 N ATOM 0 H LYS A 82 14.348 4.351 1.101 1.00 0.00 H new ATOM 0 HA LYS A 82 17.104 5.325 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.154 5.960 2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.782 6.592 2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.146 7.727 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.517 7.100 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.325 8.275 2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.912 8.970 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.476 9.370 0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.116 10.541 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.924 11.109 -0.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.244 10.445 0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.428 9.522 -0.376 1.00 0.00 H new ATOM 1324 N ARG A 83 18.093 4.094 2.679 1.00 0.00 N ATOM 1325 CA ARG A 83 18.719 3.116 3.560 1.00 0.00 C ATOM 1326 C ARG A 83 18.594 3.541 5.019 1.00 0.00 C ATOM 1327 O ARG A 83 18.926 4.672 5.377 1.00 0.00 O ATOM 1328 CB ARG A 83 20.191 2.940 3.191 1.00 0.00 C ATOM 1329 CG ARG A 83 20.408 2.512 1.749 1.00 0.00 C ATOM 1330 CD ARG A 83 21.885 2.473 1.395 1.00 0.00 C ATOM 1331 NE ARG A 83 22.107 2.039 0.019 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.309 1.780 -0.488 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.393 1.908 0.266 1.00 0.00 N ATOM 1334 NH2 ARG A 83 23.427 1.390 -1.749 1.00 0.00 N ATOM 0 H ARG A 83 18.687 4.888 2.440 1.00 0.00 H new ATOM 0 HA ARG A 83 18.203 2.164 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.716 3.879 3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.637 2.198 3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.969 1.527 1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.891 3.202 1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.318 3.463 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.403 1.798 2.076 1.00 0.00 H new ATOM 0 HE ARG A 83 21.295 1.928 -0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.306 2.206 1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.313 1.709 -0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.596 1.288 -2.331 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.349 1.192 -2.137 1.00 0.00 H new ATOM 1348 N GLY A 84 18.113 2.627 5.856 1.00 0.00 N ATOM 1349 CA GLY A 84 17.950 2.924 7.267 1.00 0.00 C ATOM 1350 C GLY A 84 16.844 2.107 7.907 1.00 0.00 C ATOM 1351 O GLY A 84 16.904 0.878 7.924 1.00 0.00 O ATOM 0 H GLY A 84 17.833 1.685 5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.888 2.730 7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.731 3.985 7.389 1.00 0.00 H new ATOM 1355 N HIS A 85 15.832 2.791 8.431 1.00 0.00 N ATOM 1356 CA HIS A 85 14.708 2.119 9.074 1.00 0.00 C ATOM 1357 C HIS A 85 13.394 2.476 8.386 1.00 0.00 C ATOM 1358 O HIS A 85 12.821 3.537 8.631 1.00 0.00 O ATOM 1359 CB HIS A 85 14.640 2.496 10.555 1.00 0.00 C ATOM 1360 CG HIS A 85 15.872 2.133 11.324 1.00 0.00 C ATOM 1361 ND1 HIS A 85 16.849 3.048 11.658 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.284 0.945 11.828 1.00 0.00 C ATOM 1363 CE1 HIS A 85 17.808 2.439 12.333 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.489 1.164 12.450 1.00 0.00 N ATOM 0 H HIS A 85 15.767 3.809 8.423 1.00 0.00 H new ATOM 0 HA HIS A 85 14.863 1.044 8.987 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.472 3.570 10.640 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.781 2.002 11.008 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.763 0.002 11.755 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.701 2.905 12.723 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.047 0.455 12.926 1.00 0.00 H new ATOM 1373 N HIS A 86 12.925 1.581 7.521 1.00 0.00 N ATOM 1374 CA HIS A 86 11.679 1.797 6.795 1.00 0.00 C ATOM 1375 C HIS A 86 10.601 0.830 7.269 1.00 0.00 C ATOM 1376 O HIS A 86 10.897 -0.166 7.931 1.00 0.00 O ATOM 1377 CB HIS A 86 11.904 1.636 5.293 1.00 0.00 C ATOM 1378 CG HIS A 86 12.783 2.695 4.706 1.00 0.00 C ATOM 1379 ND1 HIS A 86 13.744 3.365 5.434 1.00 0.00 N ATOM 1380 CD2 HIS A 86 12.843 3.203 3.453 1.00 0.00 C ATOM 1381 CE1 HIS A 86 14.353 4.239 4.656 1.00 0.00 C ATOM 1382 NE2 HIS A 86 13.825 4.160 3.448 1.00 0.00 N ATOM 0 H HIS A 86 13.390 0.699 7.306 1.00 0.00 H new ATOM 0 HA HIS A 86 11.342 2.814 6.995 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.348 0.659 5.103 1.00 0.00 H new ATOM 0 HB3 HIS A 86 10.940 1.652 4.785 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.231 2.909 2.613 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.148 4.906 4.956 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.103 4.720 2.642 1.00 0.00 H new ATOM 1391 N THR A 87 9.352 1.123 6.920 1.00 0.00 N ATOM 1392 CA THR A 87 8.234 0.280 7.324 1.00 0.00 C ATOM 1393 C THR A 87 6.996 0.537 6.468 1.00 0.00 C ATOM 1394 O THR A 87 6.814 1.629 5.932 1.00 0.00 O ATOM 1395 CB THR A 87 7.880 0.518 8.806 1.00 0.00 C ATOM 1396 OG1 THR A 87 8.934 0.036 9.648 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.577 -0.170 9.174 1.00 0.00 C ATOM 0 H THR A 87 9.090 1.935 6.361 1.00 0.00 H new ATOM 0 HA THR A 87 8.548 -0.754 7.183 1.00 0.00 H new ATOM 0 HB THR A 87 7.758 1.591 8.955 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.576 -0.631 10.270 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.352 0.015 10.224 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.770 0.224 8.556 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.672 -1.243 9.006 1.00 0.00 H new ATOM 1405 N LEU A 88 6.149 -0.484 6.347 1.00 0.00 N ATOM 1406 CA LEU A 88 4.919 -0.376 5.576 1.00 0.00 C ATOM 1407 C LEU A 88 3.718 -0.622 6.477 1.00 0.00 C ATOM 1408 O LEU A 88 3.131 -1.704 6.477 1.00 0.00 O ATOM 1409 CB LEU A 88 4.918 -1.373 4.419 1.00 0.00 C ATOM 1410 CG LEU A 88 3.604 -1.449 3.635 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.409 -0.189 2.810 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.581 -2.681 2.747 1.00 0.00 C ATOM 0 H LEU A 88 6.296 -1.397 6.776 1.00 0.00 H new ATOM 0 HA LEU A 88 4.857 0.631 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.721 -1.109 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.148 -2.363 4.812 1.00 0.00 H new ATOM 0 HG LEU A 88 2.781 -1.528 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.471 -0.257 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.379 0.677 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.236 -0.082 2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.640 -2.717 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.411 -2.636 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.676 -3.575 3.363 1.00 0.00 H new ATOM 1424 N GLU A 89 3.366 0.386 7.255 1.00 0.00 N ATOM 1425 CA GLU A 89 2.240 0.284 8.171 1.00 0.00 C ATOM 1426 C GLU A 89 0.926 0.525 7.442 1.00 0.00 C ATOM 1427 O GLU A 89 0.618 1.648 7.045 1.00 0.00 O ATOM 1428 CB GLU A 89 2.396 1.278 9.321 1.00 0.00 C ATOM 1429 CG GLU A 89 3.216 2.495 8.945 1.00 0.00 C ATOM 1430 CD GLU A 89 3.124 3.607 9.972 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.904 3.580 10.947 1.00 0.00 O ATOM 1432 OE2 GLU A 89 2.273 4.505 9.801 1.00 0.00 O ATOM 0 H GLU A 89 3.844 1.287 7.272 1.00 0.00 H new ATOM 0 HA GLU A 89 2.226 -0.726 8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.409 1.600 9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.867 0.776 10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.259 2.202 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.879 2.870 7.979 1.00 0.00 H new ATOM 1439 N LEU A 90 0.170 -0.546 7.257 1.00 0.00 N ATOM 1440 CA LEU A 90 -1.120 -0.470 6.584 1.00 0.00 C ATOM 1441 C LEU A 90 -2.252 -0.499 7.603 1.00 0.00 C ATOM 1442 O LEU A 90 -2.091 -1.026 8.706 1.00 0.00 O ATOM 1443 CB LEU A 90 -1.274 -1.626 5.593 1.00 0.00 C ATOM 1444 CG LEU A 90 -0.305 -1.603 4.409 1.00 0.00 C ATOM 1445 CD1 LEU A 90 -0.456 -2.865 3.574 1.00 0.00 C ATOM 1446 CD2 LEU A 90 -0.539 -0.367 3.553 1.00 0.00 C ATOM 0 H LEU A 90 0.428 -1.484 7.565 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.167 0.470 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.143 -2.565 6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.294 -1.620 5.208 1.00 0.00 H new ATOM 0 HG LEU A 90 0.713 -1.566 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.240 -2.832 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.241 -3.737 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.476 -2.931 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.159 -0.367 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.561 -0.375 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.383 0.528 4.156 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.397 0.062 7.229 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.547 0.101 8.122 1.00 0.00 C ATOM 1460 C VAL A 91 -5.865 0.004 7.362 1.00 0.00 C ATOM 1461 O VAL A 91 -5.934 0.285 6.161 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.581 1.400 8.951 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -3.933 1.188 10.309 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -3.924 2.546 8.190 1.00 0.00 C ATOM 0 H VAL A 91 -3.552 0.494 6.318 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.436 -0.761 8.780 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.623 1.673 9.121 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.968 2.117 10.878 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.471 0.410 10.851 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.895 0.884 10.173 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.960 3.452 8.795 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.885 2.293 7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.456 2.713 7.254 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.906 -0.402 8.083 1.00 0.00 N ATOM 1475 CA TYR A 92 -8.246 -0.509 7.525 1.00 0.00 C ATOM 1476 C TYR A 92 -8.992 0.788 7.821 1.00 0.00 C ATOM 1477 O TYR A 92 -9.926 0.816 8.619 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.974 -1.707 8.145 1.00 0.00 C ATOM 1479 CG TYR A 92 -10.088 -2.277 7.295 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.903 -2.518 5.939 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -11.322 -2.585 7.853 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -10.918 -3.048 5.164 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -12.340 -3.118 7.085 1.00 0.00 C ATOM 1484 CZ TYR A 92 -12.133 -3.346 5.742 1.00 0.00 C ATOM 1485 OH TYR A 92 -13.143 -3.876 4.974 1.00 0.00 O ATOM 0 H TYR A 92 -6.843 -0.665 9.067 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.198 -0.665 6.447 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.247 -2.494 8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.387 -1.406 9.108 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.951 -2.288 5.483 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -11.489 -2.405 8.905 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.759 -3.228 4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -13.293 -3.355 7.535 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.933 -4.030 5.533 1.00 0.00 H new ATOM 1495 N THR A 93 -8.553 1.860 7.167 1.00 0.00 N ATOM 1496 CA THR A 93 -9.120 3.193 7.377 1.00 0.00 C ATOM 1497 C THR A 93 -10.361 3.445 6.536 1.00 0.00 C ATOM 1498 O THR A 93 -10.663 2.690 5.625 1.00 0.00 O ATOM 1499 CB THR A 93 -8.087 4.283 7.048 1.00 0.00 C ATOM 1500 OG1 THR A 93 -8.736 5.554 6.929 1.00 0.00 O ATOM 1501 CG2 THR A 93 -7.353 3.960 5.755 1.00 0.00 C ATOM 0 H THR A 93 -7.799 1.832 6.480 1.00 0.00 H new ATOM 0 HA THR A 93 -9.401 3.234 8.429 1.00 0.00 H new ATOM 0 HB THR A 93 -7.361 4.321 7.860 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.085 5.826 7.803 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.627 4.745 5.543 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.836 3.006 5.859 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.069 3.897 4.936 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.077 4.517 6.860 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.275 4.892 6.131 1.00 0.00 C ATOM 1511 C ARG A 94 -12.033 6.156 5.307 1.00 0.00 C ATOM 1512 O ARG A 94 -12.183 7.268 5.812 1.00 0.00 O ATOM 1513 CB ARG A 94 -13.426 5.129 7.105 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.677 4.361 6.743 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.840 4.732 7.646 1.00 0.00 C ATOM 1516 NE ARG A 94 -17.118 4.316 7.082 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.235 4.192 7.792 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.230 4.450 9.094 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.359 3.808 7.203 1.00 0.00 N ATOM 0 H ARG A 94 -10.842 5.144 7.630 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.533 4.077 5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.110 4.844 8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.656 6.194 7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.942 4.564 5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.483 3.291 6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.705 4.266 8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.847 5.810 7.805 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.158 4.108 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.368 4.744 9.552 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.089 4.354 9.636 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.368 3.607 6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.215 3.714 7.750 1.00 0.00 H new ATOM 1533 N PRO A 95 -11.635 6.004 4.031 1.00 0.00 N ATOM 1534 CA PRO A 95 -11.380 7.143 3.140 1.00 0.00 C ATOM 1535 C PRO A 95 -12.514 8.161 3.154 1.00 0.00 C ATOM 1536 O PRO A 95 -12.286 9.364 3.019 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.266 6.485 1.766 1.00 0.00 C ATOM 1538 CG PRO A 95 -10.749 5.120 2.055 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.381 4.713 3.358 1.00 0.00 C ATOM 0 HA PRO A 95 -10.496 7.707 3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.232 6.446 1.262 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.589 7.038 1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.012 4.425 1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.662 5.121 2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.303 4.153 3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.718 4.077 3.945 1.00 0.00 H new ATOM 1547 N PHE A 96 -13.734 7.670 3.318 1.00 0.00 N ATOM 1548 CA PHE A 96 -14.909 8.516 3.350 1.00 0.00 C ATOM 1549 C PHE A 96 -14.946 9.371 4.616 1.00 0.00 C ATOM 1550 O PHE A 96 -15.460 10.489 4.603 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.153 7.639 3.268 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.231 6.825 2.008 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.524 5.638 1.889 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -17.007 7.248 0.941 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.591 4.888 0.731 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -17.078 6.502 -0.220 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.369 5.321 -0.326 1.00 0.00 C ATOM 0 H PHE A 96 -13.933 6.676 3.432 1.00 0.00 H new ATOM 0 HA PHE A 96 -14.876 9.195 2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.172 6.968 4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.038 8.271 3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.914 5.296 2.712 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.563 8.171 1.018 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -15.036 3.965 0.652 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -17.687 6.842 -1.044 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.423 4.737 -1.233 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.397 8.839 5.706 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.377 9.558 6.978 1.00 0.00 C ATOM 1569 C GLU A 97 -12.948 9.872 7.420 1.00 0.00 C ATOM 1570 O GLU A 97 -12.457 10.983 7.222 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.086 8.738 8.059 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.498 8.323 7.683 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.414 9.509 7.449 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.005 10.005 8.432 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -17.541 9.940 6.284 1.00 0.00 O ATOM 0 H GLU A 97 -13.962 7.917 5.734 1.00 0.00 H new ATOM 0 HA GLU A 97 -14.903 10.502 6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.498 7.845 8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.121 9.320 8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.465 7.711 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.912 7.700 8.476 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.289 8.884 8.021 1.00 0.00 N ATOM 1583 CA GLY A 98 -10.929 9.070 8.496 1.00 0.00 C ATOM 1584 C GLY A 98 -10.335 7.796 9.048 1.00 0.00 C ATOM 1585 O GLY A 98 -10.929 6.723 8.933 1.00 0.00 O ATOM 0 H GLY A 98 -12.675 7.955 8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.307 9.433 7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.919 9.838 9.269 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.162 7.914 9.649 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.476 6.764 10.209 1.00 0.00 C ATOM 1591 C ILE A 99 -8.610 6.713 11.726 1.00 0.00 C ATOM 1592 O ILE A 99 -8.134 7.600 12.436 1.00 0.00 O ATOM 1593 CB ILE A 99 -6.988 6.780 9.838 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -6.805 7.276 8.402 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.394 5.391 10.014 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.380 7.657 8.069 1.00 0.00 C ATOM 0 H ILE A 99 -8.665 8.798 9.761 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.948 5.878 9.785 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.462 7.466 10.502 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.134 6.498 7.713 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.450 8.139 8.240 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.337 5.411 9.748 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.501 5.078 11.053 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.917 4.687 9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.327 7.999 7.035 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.053 8.457 8.733 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.732 6.790 8.198 1.00 0.00 H new ATOM 1608 N LYS A 100 -9.263 5.665 12.213 1.00 0.00 N ATOM 1609 CA LYS A 100 -9.462 5.475 13.643 1.00 0.00 C ATOM 1610 C LYS A 100 -8.580 4.330 14.149 1.00 0.00 C ATOM 1611 O LYS A 100 -7.977 3.612 13.352 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.936 5.180 13.928 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.886 5.822 12.931 1.00 0.00 C ATOM 1614 CD LYS A 100 -13.336 5.505 13.260 1.00 0.00 C ATOM 1615 CE LYS A 100 -14.174 6.768 13.342 1.00 0.00 C ATOM 1616 NZ LYS A 100 -15.593 6.474 13.680 1.00 0.00 N ATOM 0 H LYS A 100 -9.666 4.929 11.633 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.179 6.388 14.167 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.090 4.101 13.922 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.182 5.531 14.930 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.740 6.902 12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.654 5.469 11.926 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.747 4.843 12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -13.387 4.970 14.209 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.753 7.435 14.095 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -14.130 7.295 12.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.130 7.363 13.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.004 5.859 12.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.638 5.994 14.602 1.00 0.00 H new ATOM 1630 N PRO A 101 -8.488 4.140 15.479 1.00 0.00 N ATOM 1631 CA PRO A 101 -7.667 3.076 16.069 1.00 0.00 C ATOM 1632 C PRO A 101 -8.230 1.690 15.783 1.00 0.00 C ATOM 1633 O PRO A 101 -7.483 0.731 15.587 1.00 0.00 O ATOM 1634 CB PRO A 101 -7.716 3.366 17.577 1.00 0.00 C ATOM 1635 CG PRO A 101 -8.281 4.738 17.705 1.00 0.00 C ATOM 1636 CD PRO A 101 -9.167 4.932 16.512 1.00 0.00 C ATOM 0 HA PRO A 101 -6.658 3.072 15.658 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.338 2.636 18.096 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.721 3.309 18.019 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.845 4.843 18.632 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.488 5.486 17.728 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.180 4.575 16.697 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.246 5.982 16.232 1.00 0.00 H new ATOM 1644 N GLU A 102 -9.553 1.599 15.761 1.00 0.00 N ATOM 1645 CA GLU A 102 -10.238 0.335 15.504 1.00 0.00 C ATOM 1646 C GLU A 102 -9.821 -0.263 14.162 1.00 0.00 C ATOM 1647 O GLU A 102 -10.005 -1.457 13.923 1.00 0.00 O ATOM 1648 CB GLU A 102 -11.751 0.543 15.530 1.00 0.00 C ATOM 1649 CG GLU A 102 -12.241 1.259 16.777 1.00 0.00 C ATOM 1650 CD GLU A 102 -13.746 1.444 16.790 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -14.221 2.481 16.281 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -14.450 0.554 17.312 1.00 0.00 O ATOM 0 H GLU A 102 -10.178 2.389 15.919 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.953 -0.364 16.290 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -12.046 1.116 14.651 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.245 -0.426 15.459 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.941 0.692 17.658 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.758 2.234 16.845 1.00 0.00 H new ATOM 1659 N ASN A 103 -9.264 0.572 13.290 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.827 0.120 11.972 1.00 0.00 C ATOM 1661 C ASN A 103 -7.829 -1.025 12.082 1.00 0.00 C ATOM 1662 O ASN A 103 -6.880 -0.962 12.862 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.195 1.270 11.188 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.162 2.409 10.931 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -8.749 3.553 10.748 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -10.455 2.106 10.914 1.00 0.00 N ATOM 0 H ASN A 103 -9.105 1.563 13.471 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.710 -0.236 11.442 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.334 1.648 11.738 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.824 0.893 10.235 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.148 2.835 10.744 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -10.755 1.144 11.070 1.00 0.00 H new ATOM 1673 N GLU A 104 -8.058 -2.075 11.296 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.175 -3.228 11.286 1.00 0.00 C ATOM 1675 C GLU A 104 -5.743 -2.776 11.035 1.00 0.00 C ATOM 1676 O GLU A 104 -5.513 -1.675 10.537 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.623 -4.213 10.208 1.00 0.00 C ATOM 1678 CG GLU A 104 -7.263 -5.652 10.519 1.00 0.00 C ATOM 1679 CD GLU A 104 -7.984 -6.643 9.627 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -9.206 -6.829 9.813 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -7.330 -7.233 8.742 1.00 0.00 O ATOM 0 H GLU A 104 -8.851 -2.146 10.658 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.219 -3.728 12.254 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.703 -4.136 10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.170 -3.930 9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.187 -5.785 10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.504 -5.865 11.560 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.780 -3.624 11.373 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.379 -3.269 11.191 1.00 0.00 C ATOM 1690 C ARG A 105 -2.620 -4.317 10.385 1.00 0.00 C ATOM 1691 O ARG A 105 -2.987 -5.491 10.359 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.703 -3.077 12.549 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.285 -2.541 12.449 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.185 -1.120 12.979 1.00 0.00 C ATOM 1695 NE ARG A 105 0.203 -0.686 13.113 1.00 0.00 N ATOM 1696 CZ ARG A 105 0.570 0.587 13.232 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -0.345 1.548 13.231 1.00 0.00 N ATOM 1698 NH2 ARG A 105 1.853 0.900 13.353 1.00 0.00 N ATOM 0 H ARG A 105 -4.940 -4.550 11.769 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.354 -2.335 10.629 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.301 -2.392 13.150 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.686 -4.031 13.076 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.611 -3.188 13.010 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.959 -2.566 11.409 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.714 -0.444 12.307 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.680 -1.058 13.948 1.00 0.00 H new ATOM 0 HE ARG A 105 0.932 -1.399 13.115 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.333 1.311 13.139 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -0.060 2.523 13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 105 2.559 0.164 13.355 1.00 0.00 H new ATOM 0 HH22 ARG A 105 2.133 1.876 13.444 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.568 -3.860 9.713 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.707 -4.718 8.912 1.00 0.00 C ATOM 1714 C TYR A 106 0.576 -3.973 8.593 1.00 0.00 C ATOM 1715 O TYR A 106 0.722 -3.361 7.536 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.434 -5.181 7.659 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.661 -6.154 6.805 1.00 0.00 C ATOM 1718 CD1 TYR A 106 0.286 -5.720 5.887 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.893 -7.516 6.915 1.00 0.00 C ATOM 1720 CE1 TYR A 106 0.981 -6.619 5.105 1.00 0.00 C ATOM 1721 CE2 TYR A 106 -0.205 -8.421 6.136 1.00 0.00 C ATOM 1722 CZ TYR A 106 0.732 -7.969 5.233 1.00 0.00 C ATOM 1723 OH TYR A 106 1.422 -8.870 4.452 1.00 0.00 O ATOM 0 H TYR A 106 -1.289 -2.879 9.710 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.448 -5.616 9.472 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.376 -5.645 7.952 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.683 -4.308 7.056 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.481 -4.663 5.784 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.625 -7.874 7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.716 -6.267 4.396 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.399 -9.479 6.233 1.00 0.00 H new ATOM 0 HH TYR A 106 2.176 -9.235 4.961 1.00 0.00 H new ATOM 1733 N THR A 107 1.495 -4.021 9.550 1.00 0.00 N ATOM 1734 CA THR A 107 2.767 -3.328 9.443 1.00 0.00 C ATOM 1735 C THR A 107 3.881 -4.231 8.928 1.00 0.00 C ATOM 1736 O THR A 107 4.312 -5.158 9.615 1.00 0.00 O ATOM 1737 CB THR A 107 3.179 -2.768 10.813 1.00 0.00 C ATOM 1738 OG1 THR A 107 2.019 -2.348 11.540 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.127 -1.594 10.655 1.00 0.00 C ATOM 0 H THR A 107 1.377 -4.541 10.419 1.00 0.00 H new ATOM 0 HA THR A 107 2.626 -2.521 8.725 1.00 0.00 H new ATOM 0 HB THR A 107 3.689 -3.559 11.363 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.866 -2.957 12.292 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.404 -1.215 11.639 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.023 -1.918 10.126 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.636 -0.804 10.087 1.00 0.00 H new ATOM 1747 N LEU A 108 4.342 -3.953 7.715 1.00 0.00 N ATOM 1748 CA LEU A 108 5.428 -4.710 7.114 1.00 0.00 C ATOM 1749 C LEU A 108 6.744 -3.967 7.299 1.00 0.00 C ATOM 1750 O LEU A 108 7.092 -3.098 6.499 1.00 0.00 O ATOM 1751 CB LEU A 108 5.157 -4.939 5.626 1.00 0.00 C ATOM 1752 CG LEU A 108 6.340 -5.484 4.819 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.874 -6.765 5.442 1.00 0.00 C ATOM 1754 CD2 LEU A 108 5.932 -5.720 3.374 1.00 0.00 C ATOM 0 H LEU A 108 3.977 -3.204 7.127 1.00 0.00 H new ATOM 0 HA LEU A 108 5.495 -5.679 7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.322 -5.633 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.840 -3.995 5.182 1.00 0.00 H new ATOM 0 HG LEU A 108 7.138 -4.742 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.713 -7.134 4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.207 -6.563 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.085 -7.517 5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.783 -6.107 2.814 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.116 -6.442 3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.603 -4.780 2.931 1.00 0.00 H new ATOM 1766 N HIS A 109 7.470 -4.306 8.356 1.00 0.00 N ATOM 1767 CA HIS A 109 8.736 -3.646 8.639 1.00 0.00 C ATOM 1768 C HIS A 109 9.837 -4.167 7.732 1.00 0.00 C ATOM 1769 O HIS A 109 9.916 -5.361 7.450 1.00 0.00 O ATOM 1770 CB HIS A 109 9.124 -3.814 10.095 1.00 0.00 C ATOM 1771 CG HIS A 109 8.170 -3.157 11.039 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.502 -2.055 11.799 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.881 -3.444 11.338 1.00 0.00 C ATOM 1774 CE1 HIS A 109 7.460 -1.693 12.525 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.465 -2.520 12.264 1.00 0.00 N ATOM 0 H HIS A 109 7.206 -5.028 9.026 1.00 0.00 H new ATOM 0 HA HIS A 109 8.606 -2.582 8.441 1.00 0.00 H new ATOM 0 HB2 HIS A 109 9.182 -4.877 10.328 1.00 0.00 H new ATOM 0 HB3 HIS A 109 10.120 -3.400 10.249 1.00 0.00 H new ATOM 0 HD1 HIS A 109 9.411 -1.592 11.800 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.291 -4.249 10.925 1.00 0.00 H new ATOM 0 HE1 HIS A 109 7.428 -0.862 13.214 1.00 0.00 H new ATOM 1784 N LEU A 110 10.692 -3.254 7.298 1.00 0.00 N ATOM 1785 CA LEU A 110 11.784 -3.586 6.402 1.00 0.00 C ATOM 1786 C LEU A 110 13.027 -2.760 6.714 1.00 0.00 C ATOM 1787 O LEU A 110 13.315 -1.780 6.026 1.00 0.00 O ATOM 1788 CB LEU A 110 11.360 -3.340 4.953 1.00 0.00 C ATOM 1789 CG LEU A 110 10.314 -4.308 4.395 1.00 0.00 C ATOM 1790 CD1 LEU A 110 9.956 -3.931 2.966 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.814 -5.745 4.458 1.00 0.00 C ATOM 0 H LEU A 110 10.648 -2.268 7.556 1.00 0.00 H new ATOM 0 HA LEU A 110 12.027 -4.639 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.968 -2.326 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.247 -3.388 4.321 1.00 0.00 H new ATOM 0 HG LEU A 110 9.418 -4.235 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.211 -4.628 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.550 -2.919 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.850 -3.975 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.053 -6.413 4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.727 -5.839 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.021 -6.013 5.494 1.00 0.00 H new ATOM 1803 N ASN A 111 13.748 -3.145 7.762 1.00 0.00 N ATOM 1804 CA ASN A 111 14.972 -2.450 8.141 1.00 0.00 C ATOM 1805 C ASN A 111 15.949 -2.449 6.970 1.00 0.00 C ATOM 1806 O ASN A 111 16.771 -3.355 6.828 1.00 0.00 O ATOM 1807 CB ASN A 111 15.613 -3.112 9.363 1.00 0.00 C ATOM 1808 CG ASN A 111 16.932 -2.471 9.745 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.134 -1.273 9.548 1.00 0.00 O ATOM 1810 ND2 ASN A 111 17.840 -3.270 10.294 1.00 0.00 N ATOM 0 H ASN A 111 13.506 -3.933 8.363 1.00 0.00 H new ATOM 0 HA ASN A 111 14.723 -1.421 8.401 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.926 -3.052 10.207 1.00 0.00 H new ATOM 0 HB3 ASN A 111 15.773 -4.170 9.157 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.748 -2.896 10.571 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.630 -4.257 10.439 1.00 0.00 H new ATOM 1817 N VAL A 112 15.839 -1.427 6.134 1.00 0.00 N ATOM 1818 CA VAL A 112 16.682 -1.298 4.953 1.00 0.00 C ATOM 1819 C VAL A 112 18.163 -1.279 5.316 1.00 0.00 C ATOM 1820 O VAL A 112 18.579 -0.572 6.234 1.00 0.00 O ATOM 1821 CB VAL A 112 16.337 -0.018 4.171 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.947 -0.051 2.781 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.829 0.164 4.093 1.00 0.00 C ATOM 0 H VAL A 112 15.168 -0.668 6.253 1.00 0.00 H new ATOM 0 HA VAL A 112 16.488 -2.170 4.329 1.00 0.00 H new ATOM 0 HB VAL A 112 16.761 0.833 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.689 0.864 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 112 18.031 -0.131 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.560 -0.910 2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.601 1.073 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.385 -0.693 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.419 0.242 5.100 1.00 0.00 H new ATOM 1833 N LYS A 113 18.952 -2.061 4.585 1.00 0.00 N ATOM 1834 CA LYS A 113 20.389 -2.135 4.819 1.00 0.00 C ATOM 1835 C LYS A 113 21.103 -0.928 4.218 1.00 0.00 C ATOM 1836 O LYS A 113 21.284 0.072 4.945 1.00 0.00 O ATOM 1837 CB LYS A 113 20.949 -3.426 4.222 1.00 0.00 C ATOM 1838 CG LYS A 113 20.503 -4.679 4.957 1.00 0.00 C ATOM 1839 CD LYS A 113 21.154 -4.784 6.327 1.00 0.00 C ATOM 1840 CE LYS A 113 20.684 -6.021 7.075 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.327 -6.139 8.413 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.473 -0.991 3.027 1.00 0.00 O ATOM 0 H LYS A 113 18.619 -2.653 3.824 1.00 0.00 H new ATOM 0 HA LYS A 113 20.561 -2.132 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.641 -3.498 3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.038 -3.378 4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.419 -4.670 5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.756 -5.559 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.238 -4.816 6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 113 20.920 -3.894 6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 113 19.601 -5.983 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 113 20.909 -6.909 6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.980 -6.995 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 22.359 -6.201 8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 21.092 -5.304 8.986 1.00 0.00 H new