USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 84 CYS SG : rot -129:sc= -3.38! USER MOD Set 1.2: A 87 CYS SG : rot 78:sc= 0.572! USER MOD Set 1.3: A 105 CYS SG : rot -104:sc= -12.9! USER MOD Set 1.4: A 108 CYS SG : rot -174:sc= -5.2! USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0.365 USER MOD Set 2.2: A 83 THR OG1 : rot 158:sc= 0.545 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.0293 K(o=0.029,f=-9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HD1:sc=-0.00352 F(o=-0.51,f=-0.0035) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.7) USER MOD Single : A 78 SER OG : rot -20:sc= 0.0394 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -167:sc= 0.559 (180deg=0.482) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -98:sc= 1.84 USER MOD Single : A 106 GLN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 11.892 8.492 -10.375 1.00 0.00 N ATOM 97 CA ASN A 8 12.929 9.358 -9.788 1.00 0.00 C ATOM 98 C ASN A 8 12.256 10.570 -9.130 1.00 0.00 C ATOM 99 O ASN A 8 12.211 11.674 -9.691 1.00 0.00 O ATOM 100 CB ASN A 8 14.026 9.751 -10.818 1.00 0.00 C ATOM 101 CG ASN A 8 14.825 8.537 -11.309 1.00 0.00 C ATOM 102 OD1 ASN A 8 14.442 7.866 -12.271 1.00 0.00 O ATOM 103 ND2 ASN A 8 15.938 8.247 -10.658 1.00 0.00 N ATOM 0 HA ASN A 8 13.463 8.803 -9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 8 13.560 10.246 -11.670 1.00 0.00 H new ATOM 0 HB3 ASN A 8 14.706 10.471 -10.364 1.00 0.00 H new ATOM 0 HD21 ASN A 8 16.505 7.450 -10.947 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.230 8.820 -9.866 1.00 0.00 H new ATOM 110 N VAL A 9 11.688 10.310 -7.938 1.00 0.00 N ATOM 111 CA VAL A 9 10.818 11.256 -7.224 1.00 0.00 C ATOM 112 C VAL A 9 11.584 12.520 -6.787 1.00 0.00 C ATOM 113 O VAL A 9 10.989 13.575 -6.661 1.00 0.00 O ATOM 114 CB VAL A 9 10.122 10.573 -5.980 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.132 11.524 -5.276 1.00 0.00 C ATOM 116 CG2 VAL A 9 9.413 9.252 -6.368 1.00 0.00 C ATOM 0 H VAL A 9 11.823 9.429 -7.441 1.00 0.00 H new ATOM 0 HA VAL A 9 10.041 11.562 -7.925 1.00 0.00 H new ATOM 0 HB VAL A 9 10.920 10.336 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.677 11.013 -4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.664 12.408 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.354 11.824 -5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.948 8.815 -5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.648 9.456 -7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.143 8.553 -6.776 1.00 0.00 H new ATOM 126 N GLU A 10 12.909 12.404 -6.597 1.00 0.00 N ATOM 127 CA GLU A 10 13.775 13.534 -6.191 1.00 0.00 C ATOM 128 C GLU A 10 13.785 14.675 -7.229 1.00 0.00 C ATOM 129 O GLU A 10 13.941 15.847 -6.863 1.00 0.00 O ATOM 130 CB GLU A 10 15.194 13.006 -5.926 1.00 0.00 C ATOM 131 CG GLU A 10 15.263 12.045 -4.723 1.00 0.00 C ATOM 132 CD GLU A 10 16.645 11.412 -4.514 1.00 0.00 C ATOM 133 OE1 GLU A 10 16.931 10.376 -5.153 1.00 0.00 O ATOM 134 OE2 GLU A 10 17.448 11.943 -3.717 1.00 0.00 O ATOM 0 H GLU A 10 13.414 11.526 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 10 13.368 13.967 -5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.557 12.492 -6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.863 13.849 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.982 12.587 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.528 11.252 -4.861 1.00 0.00 H new ATOM 141 N SER A 11 13.619 14.314 -8.516 1.00 0.00 N ATOM 142 CA SER A 11 13.445 15.292 -9.604 1.00 0.00 C ATOM 143 C SER A 11 12.102 16.029 -9.436 1.00 0.00 C ATOM 144 O SER A 11 12.008 17.253 -9.623 1.00 0.00 O ATOM 145 CB SER A 11 13.505 14.568 -10.969 1.00 0.00 C ATOM 146 OG SER A 11 14.696 13.793 -11.082 1.00 0.00 O ATOM 0 H SER A 11 13.602 13.343 -8.828 1.00 0.00 H new ATOM 0 HA SER A 11 14.249 16.027 -9.564 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.634 13.922 -11.081 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.465 15.300 -11.776 1.00 0.00 H new ATOM 0 HG SER A 11 14.712 13.343 -11.952 1.00 0.00 H new ATOM 152 N TYR A 12 11.075 15.255 -9.044 1.00 0.00 N ATOM 153 CA TYR A 12 9.723 15.770 -8.802 1.00 0.00 C ATOM 154 C TYR A 12 9.677 16.595 -7.496 1.00 0.00 C ATOM 155 O TYR A 12 8.926 17.551 -7.403 1.00 0.00 O ATOM 156 CB TYR A 12 8.695 14.610 -8.777 1.00 0.00 C ATOM 157 CG TYR A 12 8.629 13.777 -10.079 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.631 14.394 -11.336 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.555 12.376 -10.055 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.563 13.651 -12.499 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.482 11.639 -11.216 1.00 0.00 C ATOM 162 CZ TYR A 12 8.487 12.276 -12.433 1.00 0.00 C ATOM 163 OH TYR A 12 8.403 11.532 -13.594 1.00 0.00 O ATOM 0 H TYR A 12 11.163 14.251 -8.887 1.00 0.00 H new ATOM 0 HA TYR A 12 9.454 16.436 -9.622 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.938 13.945 -7.948 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.707 15.023 -8.575 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.687 15.471 -11.398 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.555 11.864 -9.104 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.569 14.147 -13.458 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.421 10.562 -11.170 1.00 0.00 H new ATOM 0 HH TYR A 12 8.358 10.579 -13.369 1.00 0.00 H new ATOM 173 N GLU A 13 10.531 16.248 -6.514 1.00 0.00 N ATOM 174 CA GLU A 13 10.581 16.941 -5.211 1.00 0.00 C ATOM 175 C GLU A 13 11.073 18.382 -5.391 1.00 0.00 C ATOM 176 O GLU A 13 10.411 19.329 -4.956 1.00 0.00 O ATOM 177 CB GLU A 13 11.503 16.186 -4.210 1.00 0.00 C ATOM 178 CG GLU A 13 10.931 14.864 -3.681 1.00 0.00 C ATOM 179 CD GLU A 13 11.801 14.222 -2.590 1.00 0.00 C ATOM 180 OE1 GLU A 13 11.617 14.553 -1.397 1.00 0.00 O ATOM 181 OE2 GLU A 13 12.684 13.406 -2.916 1.00 0.00 O ATOM 0 H GLU A 13 11.202 15.484 -6.600 1.00 0.00 H new ATOM 0 HA GLU A 13 9.571 16.958 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.457 15.984 -4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.710 16.841 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.932 15.041 -3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.824 14.164 -4.510 1.00 0.00 H new ATOM 188 N LYS A 14 12.232 18.521 -6.068 1.00 0.00 N ATOM 189 CA LYS A 14 12.889 19.824 -6.274 1.00 0.00 C ATOM 190 C LYS A 14 12.037 20.759 -7.160 1.00 0.00 C ATOM 191 O LYS A 14 11.913 21.942 -6.848 1.00 0.00 O ATOM 192 CB LYS A 14 14.316 19.659 -6.871 1.00 0.00 C ATOM 193 CG LYS A 14 14.377 18.919 -8.227 1.00 0.00 C ATOM 194 CD LYS A 14 15.722 19.098 -8.962 1.00 0.00 C ATOM 195 CE LYS A 14 15.972 20.561 -9.371 1.00 0.00 C ATOM 196 NZ LYS A 14 17.250 20.724 -10.112 1.00 0.00 N ATOM 0 H LYS A 14 12.734 17.737 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 14 12.985 20.286 -5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.758 20.648 -6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.934 19.120 -6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.201 17.856 -8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.571 19.280 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.534 18.759 -8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.735 18.467 -9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.147 20.909 -9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.988 21.188 -8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.378 21.724 -10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.041 20.416 -9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.226 20.146 -10.976 1.00 0.00 H new ATOM 210 N ILE A 15 11.423 20.215 -8.242 1.00 0.00 N ATOM 211 CA ILE A 15 10.603 21.029 -9.171 1.00 0.00 C ATOM 212 C ILE A 15 9.357 21.578 -8.444 1.00 0.00 C ATOM 213 O ILE A 15 8.931 22.705 -8.691 1.00 0.00 O ATOM 214 CB ILE A 15 10.196 20.230 -10.476 1.00 0.00 C ATOM 215 CG1 ILE A 15 9.590 21.172 -11.574 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.224 19.079 -10.159 1.00 0.00 C ATOM 217 CD1 ILE A 15 9.193 20.462 -12.865 1.00 0.00 C ATOM 0 H ILE A 15 11.480 19.227 -8.489 1.00 0.00 H new ATOM 0 HA ILE A 15 11.217 21.867 -9.499 1.00 0.00 H new ATOM 0 HB ILE A 15 11.114 19.798 -10.874 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.712 21.671 -11.163 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.317 21.949 -11.810 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.968 18.555 -11.080 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.697 18.384 -9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.318 19.482 -9.707 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.784 21.187 -13.568 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.070 19.987 -13.304 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.441 19.704 -12.647 1.00 0.00 H new ATOM 229 N LEU A 16 8.806 20.779 -7.507 1.00 0.00 N ATOM 230 CA LEU A 16 7.666 21.197 -6.673 1.00 0.00 C ATOM 231 C LEU A 16 8.081 22.296 -5.676 1.00 0.00 C ATOM 232 O LEU A 16 7.314 23.227 -5.437 1.00 0.00 O ATOM 233 CB LEU A 16 7.055 19.977 -5.938 1.00 0.00 C ATOM 234 CG LEU A 16 6.307 18.943 -6.842 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.866 17.703 -6.035 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.117 19.592 -7.578 1.00 0.00 C ATOM 0 H LEU A 16 9.137 19.835 -7.310 1.00 0.00 H new ATOM 0 HA LEU A 16 6.902 21.618 -7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.854 19.458 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.358 20.343 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 16 7.012 18.604 -7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.349 17.005 -6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.743 17.217 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.194 18.010 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.620 18.845 -8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.410 19.987 -6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.479 20.404 -8.209 1.00 0.00 H new ATOM 248 N ARG A 17 9.304 22.184 -5.115 1.00 0.00 N ATOM 249 CA ARG A 17 9.878 23.214 -4.220 1.00 0.00 C ATOM 250 C ARG A 17 9.966 24.573 -4.954 1.00 0.00 C ATOM 251 O ARG A 17 9.482 25.579 -4.453 1.00 0.00 O ATOM 252 CB ARG A 17 11.283 22.781 -3.720 1.00 0.00 C ATOM 253 CG ARG A 17 11.325 21.512 -2.817 1.00 0.00 C ATOM 254 CD ARG A 17 11.364 21.796 -1.298 1.00 0.00 C ATOM 255 NE ARG A 17 10.062 22.234 -0.728 1.00 0.00 N ATOM 256 CZ ARG A 17 9.511 21.734 0.403 1.00 0.00 C ATOM 257 NH1 ARG A 17 10.053 20.690 1.012 1.00 0.00 N ATOM 258 NH2 ARG A 17 8.409 22.268 0.915 1.00 0.00 N ATOM 0 H ARG A 17 9.918 21.384 -5.267 1.00 0.00 H new ATOM 0 HA ARG A 17 9.223 23.324 -3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.918 22.606 -4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 17 11.722 23.611 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.450 20.899 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.202 20.922 -3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.691 20.895 -0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.111 22.565 -1.102 1.00 0.00 H new ATOM 0 HE ARG A 17 9.548 22.962 -1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.893 20.256 0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.631 20.320 1.864 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.967 23.064 0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.004 21.882 1.768 1.00 0.00 H new ATOM 272 N ASP A 18 10.551 24.562 -6.165 1.00 0.00 N ATOM 273 CA ASP A 18 10.726 25.775 -6.999 1.00 0.00 C ATOM 274 C ASP A 18 9.372 26.410 -7.371 1.00 0.00 C ATOM 275 O ASP A 18 9.181 27.618 -7.204 1.00 0.00 O ATOM 276 CB ASP A 18 11.527 25.433 -8.285 1.00 0.00 C ATOM 277 CG ASP A 18 13.036 25.227 -8.032 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.791 26.225 -8.027 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.480 24.070 -7.859 1.00 0.00 O ATOM 0 H ASP A 18 10.917 23.714 -6.597 1.00 0.00 H new ATOM 0 HA ASP A 18 11.285 26.503 -6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.114 24.528 -8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.394 26.235 -9.011 1.00 0.00 H new ATOM 284 N ARG A 19 8.433 25.561 -7.843 1.00 0.00 N ATOM 285 CA ARG A 19 7.087 25.996 -8.287 1.00 0.00 C ATOM 286 C ARG A 19 6.289 26.613 -7.132 1.00 0.00 C ATOM 287 O ARG A 19 5.595 27.615 -7.314 1.00 0.00 O ATOM 288 CB ARG A 19 6.293 24.807 -8.928 1.00 0.00 C ATOM 289 CG ARG A 19 6.441 24.639 -10.462 1.00 0.00 C ATOM 290 CD ARG A 19 7.907 24.649 -10.956 1.00 0.00 C ATOM 291 NE ARG A 19 8.379 25.995 -11.355 1.00 0.00 N ATOM 292 CZ ARG A 19 8.722 26.366 -12.605 1.00 0.00 C ATOM 293 NH1 ARG A 19 8.540 25.547 -13.633 1.00 0.00 N ATOM 294 NH2 ARG A 19 9.210 27.581 -12.822 1.00 0.00 N ATOM 0 H ARG A 19 8.585 24.556 -7.928 1.00 0.00 H new ATOM 0 HA ARG A 19 7.228 26.764 -9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.613 23.882 -8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.236 24.936 -8.697 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.974 23.701 -10.761 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.895 25.440 -10.960 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.552 24.264 -10.166 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.002 23.971 -11.804 1.00 0.00 H new ATOM 0 HE ARG A 19 8.451 26.701 -10.622 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.136 24.623 -13.483 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.804 25.842 -14.573 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.325 28.231 -12.044 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.470 27.865 -13.766 1.00 0.00 H new ATOM 308 N GLN A 20 6.387 26.011 -5.939 1.00 0.00 N ATOM 309 CA GLN A 20 5.626 26.488 -4.775 1.00 0.00 C ATOM 310 C GLN A 20 6.243 27.759 -4.186 1.00 0.00 C ATOM 311 O GLN A 20 5.515 28.587 -3.679 1.00 0.00 O ATOM 312 CB GLN A 20 5.479 25.405 -3.681 1.00 0.00 C ATOM 313 CG GLN A 20 6.716 25.187 -2.798 1.00 0.00 C ATOM 314 CD GLN A 20 6.540 24.131 -1.724 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.497 23.459 -1.367 1.00 0.00 O ATOM 316 NE2 GLN A 20 5.335 23.989 -1.181 1.00 0.00 N ATOM 0 H GLN A 20 6.979 25.201 -5.755 1.00 0.00 H new ATOM 0 HA GLN A 20 4.626 26.724 -5.139 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.639 25.672 -3.040 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.226 24.460 -4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.556 24.905 -3.433 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.979 26.132 -2.322 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.559 24.567 -1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.186 23.302 -0.442 1.00 0.00 H new ATOM 325 N ARG A 21 7.584 27.907 -4.263 1.00 0.00 N ATOM 326 CA ARG A 21 8.293 29.052 -3.652 1.00 0.00 C ATOM 327 C ARG A 21 8.118 30.327 -4.486 1.00 0.00 C ATOM 328 O ARG A 21 8.002 31.419 -3.925 1.00 0.00 O ATOM 329 CB ARG A 21 9.797 28.728 -3.424 1.00 0.00 C ATOM 330 CG ARG A 21 10.061 27.720 -2.277 1.00 0.00 C ATOM 331 CD ARG A 21 9.604 28.240 -0.903 1.00 0.00 C ATOM 332 NE ARG A 21 9.739 27.205 0.139 1.00 0.00 N ATOM 333 CZ ARG A 21 10.472 27.299 1.262 1.00 0.00 C ATOM 334 NH1 ARG A 21 11.226 28.367 1.515 1.00 0.00 N ATOM 335 NH2 ARG A 21 10.445 26.301 2.136 1.00 0.00 N ATOM 0 H ARG A 21 8.197 27.247 -4.742 1.00 0.00 H new ATOM 0 HA ARG A 21 7.843 29.234 -2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.215 28.328 -4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.328 29.655 -3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.544 26.785 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.127 27.494 -2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.195 29.114 -0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.565 28.564 -0.963 1.00 0.00 H new ATOM 0 HE ARG A 21 9.227 26.335 -0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.257 29.139 0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.773 28.413 2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.873 25.477 1.951 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.996 26.358 2.992 1.00 0.00 H new ATOM 349 N GLU A 22 8.085 30.177 -5.825 1.00 0.00 N ATOM 350 CA GLU A 22 7.813 31.304 -6.737 1.00 0.00 C ATOM 351 C GLU A 22 6.355 31.772 -6.572 1.00 0.00 C ATOM 352 O GLU A 22 6.087 32.979 -6.522 1.00 0.00 O ATOM 353 CB GLU A 22 8.135 30.919 -8.206 1.00 0.00 C ATOM 354 CG GLU A 22 7.261 29.797 -8.792 1.00 0.00 C ATOM 355 CD GLU A 22 7.749 29.264 -10.142 1.00 0.00 C ATOM 356 OE1 GLU A 22 8.885 28.756 -10.203 1.00 0.00 O ATOM 357 OE2 GLU A 22 7.019 29.351 -11.148 1.00 0.00 O ATOM 0 H GLU A 22 8.243 29.287 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 22 8.466 32.137 -6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.027 31.806 -8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.180 30.613 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.222 28.972 -8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.242 30.167 -8.907 1.00 0.00 H new ATOM 364 N LEU A 23 5.424 30.798 -6.439 1.00 0.00 N ATOM 365 CA LEU A 23 4.009 31.090 -6.153 1.00 0.00 C ATOM 366 C LEU A 23 3.864 31.718 -4.764 1.00 0.00 C ATOM 367 O LEU A 23 3.156 32.699 -4.620 1.00 0.00 O ATOM 368 CB LEU A 23 3.122 29.815 -6.267 1.00 0.00 C ATOM 369 CG LEU A 23 2.864 29.274 -7.712 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.091 27.931 -7.686 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.126 30.324 -8.577 1.00 0.00 C ATOM 0 H LEU A 23 5.633 29.803 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 23 3.662 31.801 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.588 29.021 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.158 30.027 -5.804 1.00 0.00 H new ATOM 0 HG LEU A 23 3.835 29.085 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.929 27.584 -8.707 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.671 27.188 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.129 28.075 -7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.960 29.921 -9.576 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.167 30.564 -8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.731 31.228 -8.647 1.00 0.00 H new ATOM 383 N TYR A 24 4.594 31.161 -3.775 1.00 0.00 N ATOM 384 CA TYR A 24 4.510 31.574 -2.352 1.00 0.00 C ATOM 385 C TYR A 24 4.843 33.065 -2.199 1.00 0.00 C ATOM 386 O TYR A 24 4.052 33.818 -1.647 1.00 0.00 O ATOM 387 CB TYR A 24 5.452 30.705 -1.435 1.00 0.00 C ATOM 388 CG TYR A 24 4.718 29.745 -0.475 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.872 30.249 0.515 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.871 28.350 -0.546 1.00 0.00 C ATOM 391 CE1 TYR A 24 3.208 29.411 1.389 1.00 0.00 C ATOM 392 CE2 TYR A 24 4.203 27.510 0.330 1.00 0.00 C ATOM 393 CZ TYR A 24 3.376 28.047 1.293 1.00 0.00 C ATOM 394 OH TYR A 24 2.712 27.220 2.166 1.00 0.00 O ATOM 0 H TYR A 24 5.262 30.408 -3.939 1.00 0.00 H new ATOM 0 HA TYR A 24 3.484 31.407 -2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.117 30.121 -2.072 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.080 31.374 -0.847 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.734 31.317 0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.521 27.925 -1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.558 29.824 2.146 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.330 26.440 0.259 1.00 0.00 H new ATOM 0 HH TYR A 24 2.935 26.287 1.967 1.00 0.00 H new ATOM 404 N ARG A 25 6.017 33.466 -2.721 1.00 0.00 N ATOM 405 CA ARG A 25 6.505 34.858 -2.631 1.00 0.00 C ATOM 406 C ARG A 25 5.649 35.809 -3.501 1.00 0.00 C ATOM 407 O ARG A 25 5.544 37.001 -3.195 1.00 0.00 O ATOM 408 CB ARG A 25 8.009 34.935 -3.026 1.00 0.00 C ATOM 409 CG ARG A 25 8.301 34.625 -4.509 1.00 0.00 C ATOM 410 CD ARG A 25 9.802 34.619 -4.850 1.00 0.00 C ATOM 411 NE ARG A 25 10.031 34.384 -6.294 1.00 0.00 N ATOM 412 CZ ARG A 25 10.938 33.534 -6.823 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.710 32.788 -6.042 1.00 0.00 N ATOM 414 NH2 ARG A 25 11.055 33.417 -8.141 1.00 0.00 N ATOM 0 H ARG A 25 6.652 32.839 -3.215 1.00 0.00 H new ATOM 0 HA ARG A 25 6.408 35.186 -1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.380 35.934 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.570 34.237 -2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.876 33.653 -4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.798 35.364 -5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.245 35.572 -4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.304 33.845 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 25 9.452 34.911 -6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.623 32.852 -5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.390 32.151 -6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.459 33.970 -8.757 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.741 32.774 -8.537 1.00 0.00 H new ATOM 428 N ARG A 26 5.041 35.259 -4.588 1.00 0.00 N ATOM 429 CA ARG A 26 4.129 36.020 -5.470 1.00 0.00 C ATOM 430 C ARG A 26 2.842 36.425 -4.727 1.00 0.00 C ATOM 431 O ARG A 26 2.518 37.611 -4.631 1.00 0.00 O ATOM 432 CB ARG A 26 3.780 35.195 -6.743 1.00 0.00 C ATOM 433 CG ARG A 26 2.611 35.768 -7.571 1.00 0.00 C ATOM 434 CD ARG A 26 2.365 35.024 -8.890 1.00 0.00 C ATOM 435 NE ARG A 26 1.164 35.536 -9.568 1.00 0.00 N ATOM 436 CZ ARG A 26 1.060 36.728 -10.186 1.00 0.00 C ATOM 437 NH1 ARG A 26 2.091 37.569 -10.261 1.00 0.00 N ATOM 438 NH2 ARG A 26 -0.096 37.071 -10.735 1.00 0.00 N ATOM 0 H ARG A 26 5.171 34.287 -4.870 1.00 0.00 H new ATOM 0 HA ARG A 26 4.646 36.930 -5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.664 35.136 -7.377 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.533 34.176 -6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.702 35.735 -6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.811 36.817 -7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.231 35.137 -9.542 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.250 33.958 -8.694 1.00 0.00 H new ATOM 0 HE ARG A 26 0.339 34.936 -9.570 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.987 37.316 -9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.984 38.466 -10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.892 36.435 -10.686 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.190 37.971 -11.206 1.00 0.00 H new ATOM 452 N LEU A 27 2.111 35.419 -4.210 1.00 0.00 N ATOM 453 CA LEU A 27 0.809 35.632 -3.554 1.00 0.00 C ATOM 454 C LEU A 27 0.987 36.289 -2.175 1.00 0.00 C ATOM 455 O LEU A 27 0.121 37.041 -1.727 1.00 0.00 O ATOM 456 CB LEU A 27 -0.024 34.306 -3.530 1.00 0.00 C ATOM 457 CG LEU A 27 0.636 33.008 -2.938 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.608 32.950 -1.406 1.00 0.00 C ATOM 459 CD2 LEU A 27 0.006 31.737 -3.535 1.00 0.00 C ATOM 0 H LEU A 27 2.405 34.443 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 27 0.222 36.340 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.936 34.499 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.324 34.086 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 27 1.686 33.055 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.080 32.028 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.149 33.805 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.425 32.977 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.485 30.857 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.060 31.718 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.146 31.735 -4.616 1.00 0.00 H new ATOM 471 N HIS A 28 2.161 36.074 -1.542 1.00 0.00 N ATOM 472 CA HIS A 28 2.539 36.759 -0.281 1.00 0.00 C ATOM 473 C HIS A 28 3.171 38.144 -0.559 1.00 0.00 C ATOM 474 O HIS A 28 3.978 38.625 0.212 1.00 0.00 O ATOM 475 CB HIS A 28 3.487 35.873 0.587 1.00 0.00 C ATOM 476 CG HIS A 28 2.762 34.876 1.451 1.00 0.00 C ATOM 477 ND1 HIS A 28 2.536 33.552 1.301 1.00 0.00 N flip ATOM 478 CD2 HIS A 28 2.122 35.234 2.617 1.00 0.00 C flip ATOM 479 CE1 HIS A 28 1.770 33.138 2.361 1.00 0.00 C flip ATOM 480 NE2 HIS A 28 1.537 34.176 3.139 1.00 0.00 N flip ATOM 0 H HIS A 28 2.870 35.426 -1.885 1.00 0.00 H new ATOM 0 HA HIS A 28 1.624 36.920 0.288 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.173 35.339 -0.070 1.00 0.00 H new ATOM 0 HB3 HIS A 28 4.092 36.519 1.223 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.103 36.228 3.038 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.417 32.131 2.530 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.994 34.162 4.002 1.00 0.00 H new ATOM 932 N LEU A 58 -3.880 36.949 -1.020 1.00 0.00 N ATOM 933 CA LEU A 58 -2.954 36.066 -1.732 1.00 0.00 C ATOM 934 C LEU A 58 -3.348 35.953 -3.223 1.00 0.00 C ATOM 935 O LEU A 58 -2.685 36.539 -4.093 1.00 0.00 O ATOM 936 CB LEU A 58 -2.874 34.673 -1.047 1.00 0.00 C ATOM 937 CG LEU A 58 -2.474 34.650 0.465 1.00 0.00 C ATOM 938 CD1 LEU A 58 -2.327 33.205 0.991 1.00 0.00 C ATOM 939 CD2 LEU A 58 -1.197 35.471 0.743 1.00 0.00 C ATOM 0 HA LEU A 58 -1.956 36.503 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.845 34.189 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.156 34.065 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.289 35.125 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.048 33.228 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.275 32.678 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.554 32.688 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.959 35.425 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.368 35.060 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.361 36.509 0.452 1.00 0.00 H new ATOM 951 N GLY A 59 -4.437 35.220 -3.507 1.00 0.00 N ATOM 952 CA GLY A 59 -4.927 35.026 -4.884 1.00 0.00 C ATOM 953 C GLY A 59 -5.167 33.550 -5.186 1.00 0.00 C ATOM 954 O GLY A 59 -4.243 32.741 -5.073 1.00 0.00 O ATOM 0 H GLY A 59 -4.998 34.749 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.853 35.583 -5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.202 35.430 -5.590 1.00 0.00 H new ATOM 958 N GLN A 60 -6.398 33.216 -5.620 1.00 0.00 N ATOM 959 CA GLN A 60 -6.903 31.828 -5.648 1.00 0.00 C ATOM 960 C GLN A 60 -6.160 30.907 -6.642 1.00 0.00 C ATOM 961 O GLN A 60 -5.953 29.742 -6.328 1.00 0.00 O ATOM 962 CB GLN A 60 -8.424 31.822 -5.932 1.00 0.00 C ATOM 963 CG GLN A 60 -9.269 32.516 -4.841 1.00 0.00 C ATOM 964 CD GLN A 60 -10.767 32.521 -5.154 1.00 0.00 C ATOM 965 OE1 GLN A 60 -11.496 31.614 -4.765 1.00 0.00 O ATOM 966 NE2 GLN A 60 -11.225 33.534 -5.867 1.00 0.00 N ATOM 0 H GLN A 60 -7.072 33.902 -5.962 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.707 31.412 -4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.607 32.314 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.760 30.790 -6.036 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.105 32.013 -3.888 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.925 33.544 -4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.589 34.271 -6.173 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.214 33.580 -6.111 1.00 0.00 H new ATOM 975 N VAL A 61 -5.778 31.421 -7.832 1.00 0.00 N ATOM 976 CA VAL A 61 -5.012 30.628 -8.840 1.00 0.00 C ATOM 977 C VAL A 61 -3.642 30.206 -8.274 1.00 0.00 C ATOM 978 O VAL A 61 -3.203 29.065 -8.468 1.00 0.00 O ATOM 979 CB VAL A 61 -4.843 31.404 -10.211 1.00 0.00 C ATOM 980 CG1 VAL A 61 -4.198 32.791 -10.019 1.00 0.00 C ATOM 981 CG2 VAL A 61 -4.067 30.562 -11.263 1.00 0.00 C ATOM 0 H VAL A 61 -5.983 32.376 -8.124 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.592 29.730 -9.052 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.848 31.567 -10.599 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.103 33.285 -10.986 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.824 33.396 -9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.211 32.674 -9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.974 31.131 -12.188 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.074 30.327 -10.880 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.609 29.637 -11.460 1.00 0.00 H new ATOM 991 N GLY A 62 -3.012 31.129 -7.528 1.00 0.00 N ATOM 992 CA GLY A 62 -1.750 30.858 -6.863 1.00 0.00 C ATOM 993 C GLY A 62 -1.907 29.815 -5.764 1.00 0.00 C ATOM 994 O GLY A 62 -1.178 28.833 -5.745 1.00 0.00 O ATOM 0 H GLY A 62 -3.369 32.073 -7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.020 30.510 -7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.358 31.781 -6.436 1.00 0.00 H new ATOM 998 N GLN A 63 -2.913 30.034 -4.887 1.00 0.00 N ATOM 999 CA GLN A 63 -3.177 29.206 -3.683 1.00 0.00 C ATOM 1000 C GLN A 63 -3.636 27.784 -4.044 1.00 0.00 C ATOM 1001 O GLN A 63 -3.307 26.822 -3.351 1.00 0.00 O ATOM 1002 CB GLN A 63 -4.266 29.875 -2.808 1.00 0.00 C ATOM 1003 CG GLN A 63 -3.867 31.225 -2.200 1.00 0.00 C ATOM 1004 CD GLN A 63 -5.019 31.897 -1.454 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -5.786 32.672 -2.029 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -5.146 31.613 -0.175 1.00 0.00 N ATOM 0 H GLN A 63 -3.575 30.802 -4.996 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.238 29.132 -3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.162 30.016 -3.413 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.531 29.193 -2.000 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.032 31.078 -1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.517 31.887 -2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.495 30.967 0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.896 32.039 0.370 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.409 27.683 -5.128 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.016 26.409 -5.582 1.00 0.00 C ATOM 1017 C ASP A 64 -3.938 25.516 -6.185 1.00 0.00 C ATOM 1018 O ASP A 64 -3.823 24.336 -5.842 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.127 26.671 -6.631 1.00 0.00 C ATOM 1020 CG ASP A 64 -6.800 25.390 -7.162 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -7.536 24.732 -6.396 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -6.588 25.024 -8.342 1.00 0.00 O ATOM 0 H ASP A 64 -4.638 28.479 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.465 25.912 -4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.888 27.312 -6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.699 27.219 -7.470 1.00 0.00 H new ATOM 1027 N GLU A 65 -3.141 26.116 -7.084 1.00 0.00 N ATOM 1028 CA GLU A 65 -2.022 25.436 -7.740 1.00 0.00 C ATOM 1029 C GLU A 65 -0.948 25.065 -6.690 1.00 0.00 C ATOM 1030 O GLU A 65 -0.316 24.012 -6.779 1.00 0.00 O ATOM 1031 CB GLU A 65 -1.435 26.343 -8.860 1.00 0.00 C ATOM 1032 CG GLU A 65 -0.646 25.602 -9.961 1.00 0.00 C ATOM 1033 CD GLU A 65 -1.536 24.803 -10.948 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -2.271 23.879 -10.523 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -1.485 25.082 -12.166 1.00 0.00 O ATOM 0 H GLU A 65 -3.258 27.087 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.373 24.514 -8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.253 26.891 -9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.779 27.082 -8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.059 26.328 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.060 24.918 -9.490 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.808 25.953 -5.679 1.00 0.00 N ATOM 1043 CA LEU A 66 0.083 25.768 -4.514 1.00 0.00 C ATOM 1044 C LEU A 66 -0.334 24.513 -3.730 1.00 0.00 C ATOM 1045 O LEU A 66 0.503 23.694 -3.368 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.015 27.010 -3.574 1.00 0.00 C ATOM 1047 CG LEU A 66 1.159 27.276 -2.594 1.00 0.00 C ATOM 1048 CD1 LEU A 66 2.468 27.479 -3.360 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.850 28.498 -1.692 1.00 0.00 C ATOM 0 H LEU A 66 -1.321 26.834 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 66 1.107 25.654 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.134 27.894 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.926 26.912 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 66 1.276 26.402 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.278 27.664 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.691 26.585 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.369 28.333 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.685 28.669 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.702 29.381 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.054 28.305 -1.115 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.661 24.396 -3.501 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.277 23.290 -2.742 1.00 0.00 C ATOM 1063 C ARG A 67 -2.022 21.941 -3.433 1.00 0.00 C ATOM 1064 O ARG A 67 -1.794 20.936 -2.761 1.00 0.00 O ATOM 1065 CB ARG A 67 -3.804 23.528 -2.590 1.00 0.00 C ATOM 1066 CG ARG A 67 -4.551 22.443 -1.777 1.00 0.00 C ATOM 1067 CD ARG A 67 -6.075 22.633 -1.800 1.00 0.00 C ATOM 1068 NE ARG A 67 -6.778 21.610 -1.003 1.00 0.00 N ATOM 1069 CZ ARG A 67 -7.990 21.104 -1.294 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -8.627 21.460 -2.405 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -8.557 20.229 -0.481 1.00 0.00 N ATOM 0 H ARG A 67 -2.340 25.076 -3.843 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.820 23.262 -1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.961 24.494 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.249 23.589 -3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.305 21.460 -2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.202 22.463 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.321 23.623 -1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.428 22.594 -2.830 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.309 21.260 -0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.197 22.124 -3.049 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.546 21.069 -2.614 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.075 19.936 0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.476 19.847 -0.704 1.00 0.00 H new ATOM 1085 N ALA A 68 -2.068 21.948 -4.783 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.766 20.765 -5.613 1.00 0.00 C ATOM 1087 C ALA A 68 -0.319 20.305 -5.377 1.00 0.00 C ATOM 1088 O ALA A 68 -0.050 19.108 -5.219 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.000 21.081 -7.103 1.00 0.00 C ATOM 0 H ALA A 68 -2.316 22.775 -5.326 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.436 19.955 -5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.773 20.199 -7.702 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.041 21.365 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.351 21.903 -7.407 1.00 0.00 H new ATOM 1095 N ILE A 69 0.595 21.293 -5.324 1.00 0.00 N ATOM 1096 CA ILE A 69 2.030 21.064 -5.087 1.00 0.00 C ATOM 1097 C ILE A 69 2.270 20.494 -3.671 1.00 0.00 C ATOM 1098 O ILE A 69 3.016 19.532 -3.505 1.00 0.00 O ATOM 1099 CB ILE A 69 2.840 22.397 -5.277 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.672 22.953 -6.730 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.329 22.201 -4.927 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.198 24.361 -6.942 1.00 0.00 C ATOM 0 H ILE A 69 0.355 22.277 -5.445 1.00 0.00 H new ATOM 0 HA ILE A 69 2.379 20.334 -5.817 1.00 0.00 H new ATOM 0 HB ILE A 69 2.432 23.135 -4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.183 22.282 -7.421 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.614 22.933 -6.990 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.863 23.141 -5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.420 21.885 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.758 21.439 -5.577 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.037 24.657 -7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.671 25.050 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.265 24.388 -6.719 1.00 0.00 H new ATOM 1114 N ASP A 70 1.604 21.100 -2.672 1.00 0.00 N ATOM 1115 CA ASP A 70 1.706 20.701 -1.250 1.00 0.00 C ATOM 1116 C ASP A 70 1.116 19.297 -1.024 1.00 0.00 C ATOM 1117 O ASP A 70 1.599 18.543 -0.176 1.00 0.00 O ATOM 1118 CB ASP A 70 0.984 21.739 -0.344 1.00 0.00 C ATOM 1119 CG ASP A 70 1.678 23.116 -0.316 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.895 23.157 -0.041 1.00 0.00 O ATOM 1121 OD2 ASP A 70 1.006 24.156 -0.512 1.00 0.00 O ATOM 0 H ASP A 70 0.974 21.887 -2.826 1.00 0.00 H new ATOM 0 HA ASP A 70 2.762 20.672 -0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.041 21.864 -0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.929 21.347 0.672 1.00 0.00 H new ATOM 1126 N ALA A 71 0.072 18.972 -1.812 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.599 17.655 -1.797 1.00 0.00 C ATOM 1128 C ALA A 71 0.321 16.582 -2.404 1.00 0.00 C ATOM 1129 O ALA A 71 0.347 15.434 -1.955 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.936 17.724 -2.565 1.00 0.00 C ATOM 0 H ALA A 71 -0.334 19.623 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.812 17.382 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.418 16.747 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.588 18.460 -2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.747 18.014 -3.599 1.00 0.00 H new ATOM 1136 N ALA A 72 1.086 16.992 -3.429 1.00 0.00 N ATOM 1137 CA ALA A 72 2.069 16.137 -4.106 1.00 0.00 C ATOM 1138 C ALA A 72 3.249 15.821 -3.170 1.00 0.00 C ATOM 1139 O ALA A 72 3.622 14.659 -3.018 1.00 0.00 O ATOM 1140 CB ALA A 72 2.527 16.816 -5.399 1.00 0.00 C ATOM 0 H ALA A 72 1.037 17.936 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 72 1.609 15.184 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.257 16.183 -5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.668 16.971 -6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.982 17.778 -5.163 1.00 0.00 H new ATOM 1146 N LEU A 73 3.777 16.873 -2.512 1.00 0.00 N ATOM 1147 CA LEU A 73 4.876 16.770 -1.520 1.00 0.00 C ATOM 1148 C LEU A 73 4.453 15.936 -0.292 1.00 0.00 C ATOM 1149 O LEU A 73 5.273 15.229 0.304 1.00 0.00 O ATOM 1150 CB LEU A 73 5.326 18.190 -1.079 1.00 0.00 C ATOM 1151 CG LEU A 73 6.049 19.042 -2.171 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.220 20.504 -1.718 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.413 18.421 -2.560 1.00 0.00 C ATOM 0 H LEU A 73 3.452 17.829 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 73 5.713 16.258 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.449 18.739 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.992 18.090 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 73 5.416 19.039 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.726 21.070 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.241 20.943 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.814 20.535 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.890 19.038 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.054 18.371 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.257 17.416 -2.953 1.00 0.00 H new ATOM 1165 N ALA A 74 3.157 16.042 0.067 1.00 0.00 N ATOM 1166 CA ALA A 74 2.541 15.254 1.156 1.00 0.00 C ATOM 1167 C ALA A 74 2.539 13.759 0.799 1.00 0.00 C ATOM 1168 O ALA A 74 2.829 12.911 1.646 1.00 0.00 O ATOM 1169 CB ALA A 74 1.111 15.749 1.440 1.00 0.00 C ATOM 0 H ALA A 74 2.505 16.679 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 74 3.133 15.390 2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.674 15.157 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.141 16.798 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.504 15.643 0.541 1.00 0.00 H new ATOM 1175 N ARG A 75 2.226 13.462 -0.479 1.00 0.00 N ATOM 1176 CA ARG A 75 2.249 12.090 -1.023 1.00 0.00 C ATOM 1177 C ARG A 75 3.685 11.543 -1.121 1.00 0.00 C ATOM 1178 O ARG A 75 3.881 10.340 -1.009 1.00 0.00 O ATOM 1179 CB ARG A 75 1.548 12.031 -2.410 1.00 0.00 C ATOM 1180 CG ARG A 75 0.007 12.150 -2.359 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.643 12.260 -3.755 1.00 0.00 C ATOM 1182 NE ARG A 75 -0.408 13.581 -4.376 1.00 0.00 N ATOM 1183 CZ ARG A 75 -0.771 13.937 -5.623 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -1.339 13.060 -6.456 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -0.575 15.189 -6.034 1.00 0.00 N ATOM 0 H ARG A 75 1.950 14.167 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 75 1.698 11.456 -0.329 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.941 12.833 -3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.811 11.091 -2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.401 11.281 -1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.264 13.026 -1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.244 11.479 -4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.716 12.086 -3.670 1.00 0.00 H new ATOM 0 HE ARG A 75 0.070 14.283 -3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.505 12.101 -6.151 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.607 13.350 -7.397 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.152 15.872 -5.405 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.848 15.465 -6.977 1.00 0.00 H new ATOM 1199 N ILE A 76 4.682 12.426 -1.339 1.00 0.00 N ATOM 1200 CA ILE A 76 6.109 12.013 -1.374 1.00 0.00 C ATOM 1201 C ILE A 76 6.568 11.595 0.039 1.00 0.00 C ATOM 1202 O ILE A 76 7.243 10.573 0.211 1.00 0.00 O ATOM 1203 CB ILE A 76 7.049 13.146 -1.938 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.591 13.565 -3.368 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.526 12.682 -1.946 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.267 14.789 -3.957 1.00 0.00 C ATOM 0 H ILE A 76 4.532 13.423 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 76 6.187 11.164 -2.054 1.00 0.00 H new ATOM 0 HB ILE A 76 6.975 14.015 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.758 12.724 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.516 13.745 -3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.156 13.480 -2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.837 12.441 -0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.626 11.797 -2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.867 14.982 -4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.080 15.651 -3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.341 14.614 -4.025 1.00 0.00 H new ATOM 1218 N ALA A 77 6.150 12.392 1.039 1.00 0.00 N ATOM 1219 CA ALA A 77 6.412 12.124 2.465 1.00 0.00 C ATOM 1220 C ALA A 77 5.684 10.841 2.924 1.00 0.00 C ATOM 1221 O ALA A 77 6.197 10.084 3.748 1.00 0.00 O ATOM 1222 CB ALA A 77 5.986 13.338 3.314 1.00 0.00 C ATOM 0 H ALA A 77 5.617 13.247 0.879 1.00 0.00 H new ATOM 0 HA ALA A 77 7.481 11.964 2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.182 13.133 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.552 14.216 3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.921 13.525 3.173 1.00 0.00 H new ATOM 1228 N SER A 78 4.493 10.608 2.343 1.00 0.00 N ATOM 1229 CA SER A 78 3.658 9.420 2.616 1.00 0.00 C ATOM 1230 C SER A 78 4.136 8.199 1.788 1.00 0.00 C ATOM 1231 O SER A 78 3.713 7.066 2.042 1.00 0.00 O ATOM 1232 CB SER A 78 2.180 9.767 2.300 1.00 0.00 C ATOM 1233 OG SER A 78 1.281 8.693 2.570 1.00 0.00 O ATOM 0 H SER A 78 4.077 11.245 1.663 1.00 0.00 H new ATOM 0 HA SER A 78 3.749 9.146 3.667 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.884 10.636 2.887 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.096 10.048 1.250 1.00 0.00 H new ATOM 0 HG SER A 78 1.779 7.849 2.599 1.00 0.00 H new ATOM 1239 N GLY A 79 5.013 8.453 0.789 1.00 0.00 N ATOM 1240 CA GLY A 79 5.557 7.406 -0.086 1.00 0.00 C ATOM 1241 C GLY A 79 4.565 6.913 -1.143 1.00 0.00 C ATOM 1242 O GLY A 79 4.834 5.927 -1.834 1.00 0.00 O ATOM 0 H GLY A 79 5.358 9.388 0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.447 7.788 -0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.873 6.561 0.526 1.00 0.00 H new ATOM 1246 N THR A 80 3.421 7.616 -1.276 1.00 0.00 N ATOM 1247 CA THR A 80 2.335 7.264 -2.208 1.00 0.00 C ATOM 1248 C THR A 80 2.233 8.334 -3.321 1.00 0.00 C ATOM 1249 O THR A 80 1.162 8.582 -3.893 1.00 0.00 O ATOM 1250 CB THR A 80 0.974 7.098 -1.431 1.00 0.00 C ATOM 1251 OG1 THR A 80 -0.040 6.577 -2.313 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.484 8.420 -0.797 1.00 0.00 C ATOM 0 H THR A 80 3.225 8.455 -0.730 1.00 0.00 H new ATOM 0 HA THR A 80 2.558 6.307 -2.679 1.00 0.00 H new ATOM 0 HB THR A 80 1.158 6.396 -0.617 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.881 6.476 -1.821 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.457 8.246 -0.275 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.230 8.783 -0.090 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.333 9.164 -1.579 1.00 0.00 H new ATOM 1260 N PHE A 81 3.374 8.984 -3.626 1.00 0.00 N ATOM 1261 CA PHE A 81 3.470 9.900 -4.764 1.00 0.00 C ATOM 1262 C PHE A 81 3.316 9.120 -6.077 1.00 0.00 C ATOM 1263 O PHE A 81 3.793 7.986 -6.194 1.00 0.00 O ATOM 1264 CB PHE A 81 4.802 10.681 -4.747 1.00 0.00 C ATOM 1265 CG PHE A 81 4.885 11.745 -5.841 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.033 12.850 -5.818 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.777 11.630 -6.901 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.083 13.799 -6.813 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.817 12.578 -7.898 1.00 0.00 C ATOM 1270 CZ PHE A 81 4.975 13.664 -7.855 1.00 0.00 C ATOM 0 H PHE A 81 4.239 8.887 -3.095 1.00 0.00 H new ATOM 0 HA PHE A 81 2.662 10.628 -4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.925 11.158 -3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.629 9.981 -4.866 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.326 12.962 -5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.448 10.785 -6.943 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.422 14.652 -6.777 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.512 12.468 -8.717 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.012 14.409 -8.636 1.00 0.00 H new ATOM 1280 N GLY A 82 2.667 9.757 -7.061 1.00 0.00 N ATOM 1281 CA GLY A 82 2.298 9.094 -8.301 1.00 0.00 C ATOM 1282 C GLY A 82 1.072 8.217 -8.127 1.00 0.00 C ATOM 1283 O GLY A 82 0.983 7.148 -8.717 1.00 0.00 O ATOM 0 H GLY A 82 2.389 10.737 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.104 9.842 -9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.133 8.487 -8.651 1.00 0.00 H new ATOM 1287 N THR A 83 0.118 8.690 -7.308 1.00 0.00 N ATOM 1288 CA THR A 83 -1.164 8.003 -7.068 1.00 0.00 C ATOM 1289 C THR A 83 -2.350 8.936 -7.397 1.00 0.00 C ATOM 1290 O THR A 83 -2.478 10.031 -6.828 1.00 0.00 O ATOM 1291 CB THR A 83 -1.272 7.486 -5.594 1.00 0.00 C ATOM 1292 OG1 THR A 83 -0.199 6.561 -5.336 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.620 6.795 -5.294 1.00 0.00 C ATOM 0 H THR A 83 0.214 9.564 -6.791 1.00 0.00 H new ATOM 0 HA THR A 83 -1.202 7.138 -7.730 1.00 0.00 H new ATOM 0 HB THR A 83 -1.205 8.357 -4.943 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.034 6.512 -4.371 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.634 6.459 -4.257 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.435 7.500 -5.458 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.744 5.937 -5.955 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.158 8.501 -8.390 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.484 9.053 -8.698 1.00 0.00 C ATOM 1303 C CYS A 84 -5.390 8.837 -7.477 1.00 0.00 C ATOM 1304 O CYS A 84 -5.969 7.760 -7.323 1.00 0.00 O ATOM 1305 CB CYS A 84 -5.068 8.356 -9.971 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.645 9.053 -10.575 1.00 0.00 S ATOM 0 H CYS A 84 -2.893 7.737 -9.011 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.417 10.120 -8.910 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.331 8.417 -10.771 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.215 7.298 -9.753 1.00 0.00 H new ATOM 0 HG CYS A 84 -7.505 8.094 -10.748 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.442 9.857 -6.587 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.144 9.783 -5.275 1.00 0.00 C ATOM 1313 C VAL A 85 -7.667 9.563 -5.437 1.00 0.00 C ATOM 1314 O VAL A 85 -8.322 8.977 -4.568 1.00 0.00 O ATOM 1315 CB VAL A 85 -5.869 11.074 -4.404 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.356 11.248 -4.117 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.465 12.352 -5.060 1.00 0.00 C ATOM 0 H VAL A 85 -4.998 10.759 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.738 8.916 -4.754 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.377 10.931 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.200 12.144 -3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.986 10.378 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.816 11.344 -5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.254 13.216 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.016 12.500 -6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.543 12.236 -5.168 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.198 10.027 -6.579 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.621 9.897 -6.946 1.00 0.00 C ATOM 1329 C LYS A 86 -9.992 8.429 -7.279 1.00 0.00 C ATOM 1330 O LYS A 86 -11.164 8.037 -7.234 1.00 0.00 O ATOM 1331 CB LYS A 86 -9.896 10.824 -8.162 1.00 0.00 C ATOM 1332 CG LYS A 86 -11.386 11.028 -8.507 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.588 11.969 -9.717 1.00 0.00 C ATOM 1334 CE LYS A 86 -13.056 12.379 -9.920 1.00 0.00 C ATOM 1335 NZ LYS A 86 -13.960 11.224 -10.150 1.00 0.00 N ATOM 0 H LYS A 86 -7.644 10.511 -7.286 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.241 10.193 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.448 11.798 -7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.390 10.412 -9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.842 10.062 -8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.904 11.439 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.982 12.864 -9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.226 11.475 -10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.397 12.930 -9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.122 13.059 -10.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.934 11.566 -10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.657 10.710 -11.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.923 10.586 -9.330 1.00 0.00 H new ATOM 1349 N CYS A 87 -8.963 7.631 -7.606 1.00 0.00 N ATOM 1350 CA CYS A 87 -9.115 6.241 -8.074 1.00 0.00 C ATOM 1351 C CYS A 87 -8.385 5.248 -7.137 1.00 0.00 C ATOM 1352 O CYS A 87 -8.612 4.038 -7.212 1.00 0.00 O ATOM 1353 CB CYS A 87 -8.555 6.153 -9.509 1.00 0.00 C ATOM 1354 SG CYS A 87 -9.106 7.518 -10.580 1.00 0.00 S ATOM 0 H CYS A 87 -7.991 7.935 -7.553 1.00 0.00 H new ATOM 0 HA CYS A 87 -10.170 5.966 -8.066 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.466 6.150 -9.467 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.860 5.206 -9.953 1.00 0.00 H new ATOM 0 HG CYS A 87 -8.418 8.587 -10.309 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.518 5.784 -6.248 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.652 4.966 -5.385 1.00 0.00 C ATOM 1361 C GLY A 88 -5.683 4.075 -6.170 1.00 0.00 C ATOM 1362 O GLY A 88 -5.334 2.979 -5.718 1.00 0.00 O ATOM 0 H GLY A 88 -7.403 6.789 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.081 5.622 -4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.275 4.340 -4.746 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.253 4.556 -7.354 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.373 3.798 -8.284 1.00 0.00 C ATOM 1368 C LYS A 89 -3.255 4.700 -8.830 1.00 0.00 C ATOM 1369 O LYS A 89 -3.140 5.837 -8.421 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.200 3.161 -9.441 1.00 0.00 C ATOM 1371 CG LYS A 89 -5.945 1.868 -9.053 1.00 0.00 C ATOM 1372 CD LYS A 89 -6.565 1.132 -10.266 1.00 0.00 C ATOM 1373 CE LYS A 89 -7.121 -0.246 -9.876 1.00 0.00 C ATOM 1374 NZ LYS A 89 -7.676 -0.988 -11.041 1.00 0.00 N ATOM 0 H LYS A 89 -5.504 5.483 -7.699 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.907 2.986 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.926 3.892 -9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.531 2.945 -10.274 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.253 1.197 -8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.734 2.111 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.365 1.740 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.810 1.012 -11.043 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.329 -0.837 -9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.901 -0.120 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.038 -1.910 -10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.451 -0.439 -11.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.928 -1.134 -11.748 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.456 4.165 -9.773 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.202 4.803 -10.256 1.00 0.00 C ATOM 1390 C ARG A 90 -1.462 6.014 -11.197 1.00 0.00 C ATOM 1391 O ARG A 90 -2.503 6.094 -11.855 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.345 3.714 -10.980 1.00 0.00 C ATOM 1393 CG ARG A 90 1.140 4.071 -11.246 1.00 0.00 C ATOM 1394 CD ARG A 90 1.919 4.380 -9.953 1.00 0.00 C ATOM 1395 NE ARG A 90 1.792 3.308 -8.944 1.00 0.00 N ATOM 1396 CZ ARG A 90 1.337 3.468 -7.683 1.00 0.00 C ATOM 1397 NH1 ARG A 90 1.001 4.671 -7.222 1.00 0.00 N ATOM 1398 NH2 ARG A 90 1.226 2.415 -6.885 1.00 0.00 N ATOM 0 H ARG A 90 -2.657 3.274 -10.227 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.667 5.205 -9.395 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.376 2.802 -10.383 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.818 3.486 -11.935 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.621 3.242 -11.766 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.188 4.934 -11.909 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.972 4.525 -10.193 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.557 5.317 -9.530 1.00 0.00 H new ATOM 0 HE ARG A 90 2.072 2.368 -9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.086 5.490 -7.824 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.659 4.774 -6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.484 1.488 -7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.883 2.532 -5.932 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.506 6.972 -11.206 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.428 8.069 -12.205 1.00 0.00 C ATOM 1414 C ILE A 91 0.545 7.642 -13.328 1.00 0.00 C ATOM 1415 O ILE A 91 1.503 6.901 -13.077 1.00 0.00 O ATOM 1416 CB ILE A 91 0.085 9.428 -11.559 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.885 9.957 -10.468 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.323 10.530 -12.614 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.191 10.512 -10.990 1.00 0.00 C ATOM 0 H ILE A 91 0.242 7.007 -10.513 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.429 8.247 -12.597 1.00 0.00 H new ATOM 0 HB ILE A 91 1.041 9.188 -11.093 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.104 9.146 -9.773 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.378 10.736 -9.899 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.672 11.437 -12.120 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.074 10.193 -13.329 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.609 10.739 -13.139 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.800 10.856 -10.154 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.989 11.348 -11.660 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.726 9.733 -11.533 1.00 0.00 H new ATOM 1431 N SER A 92 0.287 8.120 -14.551 1.00 0.00 N ATOM 1432 CA SER A 92 1.135 7.859 -15.723 1.00 0.00 C ATOM 1433 C SER A 92 2.461 8.644 -15.603 1.00 0.00 C ATOM 1434 O SER A 92 2.466 9.762 -15.077 1.00 0.00 O ATOM 1435 CB SER A 92 0.368 8.262 -17.003 1.00 0.00 C ATOM 1436 OG SER A 92 -0.912 7.647 -17.038 1.00 0.00 O ATOM 0 H SER A 92 -0.523 8.704 -14.758 1.00 0.00 H new ATOM 0 HA SER A 92 1.376 6.797 -15.776 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.257 9.346 -17.040 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.941 7.970 -17.883 1.00 0.00 H new ATOM 0 HG SER A 92 -1.382 7.916 -17.855 1.00 0.00 H new ATOM 1442 N GLU A 93 3.572 8.059 -16.100 1.00 0.00 N ATOM 1443 CA GLU A 93 4.915 8.690 -16.052 1.00 0.00 C ATOM 1444 C GLU A 93 4.909 10.057 -16.774 1.00 0.00 C ATOM 1445 O GLU A 93 5.494 11.033 -16.294 1.00 0.00 O ATOM 1446 CB GLU A 93 5.966 7.747 -16.700 1.00 0.00 C ATOM 1447 CG GLU A 93 7.408 8.299 -16.701 1.00 0.00 C ATOM 1448 CD GLU A 93 8.402 7.399 -17.449 1.00 0.00 C ATOM 1449 OE1 GLU A 93 8.973 6.475 -16.833 1.00 0.00 O ATOM 1450 OE2 GLU A 93 8.594 7.599 -18.672 1.00 0.00 O ATOM 0 H GLU A 93 3.567 7.141 -16.544 1.00 0.00 H new ATOM 0 HA GLU A 93 5.179 8.858 -15.008 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.956 6.794 -16.171 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.668 7.544 -17.728 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.410 9.289 -17.157 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.743 8.422 -15.671 1.00 0.00 H new ATOM 1457 N ASP A 94 4.211 10.093 -17.921 1.00 0.00 N ATOM 1458 CA ASP A 94 4.058 11.297 -18.767 1.00 0.00 C ATOM 1459 C ASP A 94 3.324 12.413 -18.012 1.00 0.00 C ATOM 1460 O ASP A 94 3.675 13.594 -18.124 1.00 0.00 O ATOM 1461 CB ASP A 94 3.292 10.943 -20.065 1.00 0.00 C ATOM 1462 CG ASP A 94 3.986 9.838 -20.876 1.00 0.00 C ATOM 1463 OD1 ASP A 94 3.963 8.668 -20.440 1.00 0.00 O ATOM 1464 OD2 ASP A 94 4.542 10.126 -21.952 1.00 0.00 O ATOM 0 H ASP A 94 3.728 9.276 -18.296 1.00 0.00 H new ATOM 0 HA ASP A 94 5.054 11.658 -19.025 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.282 10.622 -19.811 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.197 11.837 -20.682 1.00 0.00 H new ATOM 1469 N ARG A 95 2.313 12.005 -17.230 1.00 0.00 N ATOM 1470 CA ARG A 95 1.507 12.914 -16.404 1.00 0.00 C ATOM 1471 C ARG A 95 2.341 13.472 -15.233 1.00 0.00 C ATOM 1472 O ARG A 95 2.128 14.602 -14.821 1.00 0.00 O ATOM 1473 CB ARG A 95 0.260 12.174 -15.856 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.689 13.033 -14.979 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.578 13.977 -15.802 1.00 0.00 C ATOM 1476 NE ARG A 95 -2.482 14.775 -14.957 1.00 0.00 N ATOM 1477 CZ ARG A 95 -3.326 15.718 -15.409 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.424 15.992 -16.706 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -4.078 16.384 -14.554 1.00 0.00 N ATOM 0 H ARG A 95 2.031 11.028 -17.153 1.00 0.00 H new ATOM 0 HA ARG A 95 1.184 13.747 -17.028 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.308 11.780 -16.699 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.594 11.318 -15.270 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.322 12.374 -14.385 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.095 13.621 -14.279 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.948 14.646 -16.388 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.167 13.393 -16.509 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.466 14.599 -13.952 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.852 15.482 -17.380 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.071 16.712 -17.028 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.017 16.182 -13.556 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.721 17.101 -14.891 1.00 0.00 H new ATOM 1493 N LEU A 96 3.277 12.658 -14.704 1.00 0.00 N ATOM 1494 CA LEU A 96 4.151 13.064 -13.576 1.00 0.00 C ATOM 1495 C LEU A 96 5.221 14.073 -14.029 1.00 0.00 C ATOM 1496 O LEU A 96 5.464 15.070 -13.356 1.00 0.00 O ATOM 1497 CB LEU A 96 4.840 11.829 -12.929 1.00 0.00 C ATOM 1498 CG LEU A 96 3.907 10.863 -12.149 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.628 9.554 -11.763 1.00 0.00 C ATOM 1500 CD2 LEU A 96 3.306 11.569 -10.908 1.00 0.00 C ATOM 0 H LEU A 96 3.450 11.710 -15.039 1.00 0.00 H new ATOM 0 HA LEU A 96 3.513 13.543 -12.834 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.341 11.264 -13.715 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.614 12.184 -12.249 1.00 0.00 H new ATOM 0 HG LEU A 96 3.087 10.586 -12.811 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.940 8.907 -11.219 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.968 9.046 -12.666 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.486 9.784 -11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.655 10.876 -10.375 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.111 11.892 -10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.728 12.437 -11.227 1.00 0.00 H new ATOM 1512 N LYS A 97 5.859 13.787 -15.172 1.00 0.00 N ATOM 1513 CA LYS A 97 6.973 14.605 -15.693 1.00 0.00 C ATOM 1514 C LYS A 97 6.462 15.965 -16.214 1.00 0.00 C ATOM 1515 O LYS A 97 7.192 16.962 -16.196 1.00 0.00 O ATOM 1516 CB LYS A 97 7.753 13.817 -16.791 1.00 0.00 C ATOM 1517 CG LYS A 97 7.003 13.643 -18.133 1.00 0.00 C ATOM 1518 CD LYS A 97 7.763 12.762 -19.156 1.00 0.00 C ATOM 1519 CE LYS A 97 8.044 11.347 -18.629 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.664 10.464 -19.650 1.00 0.00 N ATOM 0 H LYS A 97 5.623 12.989 -15.761 1.00 0.00 H new ATOM 0 HA LYS A 97 7.666 14.815 -14.878 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.696 14.330 -16.983 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.001 12.830 -16.401 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.026 13.200 -17.939 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.827 14.625 -18.572 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.180 12.694 -20.074 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.707 13.243 -19.413 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.703 11.411 -17.763 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.111 10.900 -18.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.630 9.478 -19.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.142 10.549 -20.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.654 10.746 -19.798 1.00 0.00 H new ATOM 1534 N ALA A 98 5.195 15.988 -16.674 1.00 0.00 N ATOM 1535 CA ALA A 98 4.539 17.206 -17.177 1.00 0.00 C ATOM 1536 C ALA A 98 3.852 17.976 -16.035 1.00 0.00 C ATOM 1537 O ALA A 98 3.995 19.194 -15.920 1.00 0.00 O ATOM 1538 CB ALA A 98 3.521 16.846 -18.263 1.00 0.00 C ATOM 0 H ALA A 98 4.599 15.161 -16.706 1.00 0.00 H new ATOM 0 HA ALA A 98 5.304 17.852 -17.608 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.042 17.754 -18.628 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.030 16.348 -19.088 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.766 16.179 -17.847 1.00 0.00 H new ATOM 1544 N VAL A 99 3.092 17.242 -15.197 1.00 0.00 N ATOM 1545 CA VAL A 99 2.282 17.815 -14.093 1.00 0.00 C ATOM 1546 C VAL A 99 2.597 17.029 -12.784 1.00 0.00 C ATOM 1547 O VAL A 99 1.842 16.125 -12.412 1.00 0.00 O ATOM 1548 CB VAL A 99 0.710 17.747 -14.394 1.00 0.00 C ATOM 1549 CG1 VAL A 99 -0.064 18.847 -13.643 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.390 17.773 -15.909 1.00 0.00 C ATOM 0 H VAL A 99 3.020 16.227 -15.265 1.00 0.00 H new ATOM 0 HA VAL A 99 2.546 18.868 -13.989 1.00 0.00 H new ATOM 0 HB VAL A 99 0.371 16.783 -14.016 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.126 18.767 -13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.084 18.728 -12.570 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.302 19.826 -13.953 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.689 17.725 -16.054 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.774 18.695 -16.346 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.860 16.918 -16.395 1.00 0.00 H new ATOM 1560 N PRO A 100 3.738 17.319 -12.080 1.00 0.00 N ATOM 1561 CA PRO A 100 4.129 16.568 -10.852 1.00 0.00 C ATOM 1562 C PRO A 100 3.266 16.911 -9.623 1.00 0.00 C ATOM 1563 O PRO A 100 3.378 16.264 -8.586 1.00 0.00 O ATOM 1564 CB PRO A 100 5.610 16.979 -10.642 1.00 0.00 C ATOM 1565 CG PRO A 100 5.714 18.341 -11.260 1.00 0.00 C ATOM 1566 CD PRO A 100 4.745 18.359 -12.428 1.00 0.00 C ATOM 0 HA PRO A 100 3.986 15.494 -10.971 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.869 17.003 -9.583 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.289 16.273 -11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.463 19.116 -10.536 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.732 18.537 -11.597 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.282 19.339 -12.547 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.248 18.128 -13.367 1.00 0.00 H new ATOM 1574 N TYR A 101 2.410 17.931 -9.747 1.00 0.00 N ATOM 1575 CA TYR A 101 1.572 18.415 -8.632 1.00 0.00 C ATOM 1576 C TYR A 101 0.126 17.905 -8.717 1.00 0.00 C ATOM 1577 O TYR A 101 -0.629 18.072 -7.758 1.00 0.00 O ATOM 1578 CB TYR A 101 1.617 19.964 -8.560 1.00 0.00 C ATOM 1579 CG TYR A 101 1.347 20.692 -9.882 1.00 0.00 C ATOM 1580 CD1 TYR A 101 0.049 20.934 -10.325 1.00 0.00 C ATOM 1581 CD2 TYR A 101 2.399 21.147 -10.687 1.00 0.00 C ATOM 1582 CE1 TYR A 101 -0.192 21.600 -11.507 1.00 0.00 C ATOM 1583 CE2 TYR A 101 2.157 21.810 -11.874 1.00 0.00 C ATOM 1584 CZ TYR A 101 0.860 22.037 -12.278 1.00 0.00 C ATOM 1585 OH TYR A 101 0.608 22.719 -13.448 1.00 0.00 O ATOM 0 H TYR A 101 2.275 18.446 -10.617 1.00 0.00 H new ATOM 0 HA TYR A 101 1.988 18.007 -7.711 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.885 20.298 -7.825 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.598 20.265 -8.193 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -0.785 20.593 -9.730 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.418 20.976 -10.374 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.207 21.779 -11.828 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.982 22.149 -12.483 1.00 0.00 H new ATOM 0 HH TYR A 101 1.456 22.960 -13.875 1.00 0.00 H new ATOM 1595 N THR A 102 -0.243 17.261 -9.841 1.00 0.00 N ATOM 1596 CA THR A 102 -1.643 16.878 -10.106 1.00 0.00 C ATOM 1597 C THR A 102 -2.172 15.875 -9.031 1.00 0.00 C ATOM 1598 O THR A 102 -1.541 14.836 -8.784 1.00 0.00 O ATOM 1599 CB THR A 102 -1.820 16.296 -11.554 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.214 16.080 -11.830 1.00 0.00 O ATOM 1601 CG2 THR A 102 -1.028 14.990 -11.783 1.00 0.00 C ATOM 0 H THR A 102 0.409 16.995 -10.579 1.00 0.00 H new ATOM 0 HA THR A 102 -2.243 17.786 -10.040 1.00 0.00 H new ATOM 0 HB THR A 102 -1.412 17.036 -12.243 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.435 15.138 -11.678 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.192 14.639 -12.802 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.035 15.178 -11.630 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.367 14.231 -11.079 1.00 0.00 H new ATOM 1609 N PRO A 103 -3.288 16.214 -8.300 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.944 15.268 -7.362 1.00 0.00 C ATOM 1611 C PRO A 103 -4.574 14.074 -8.115 1.00 0.00 C ATOM 1612 O PRO A 103 -4.511 12.917 -7.665 1.00 0.00 O ATOM 1613 CB PRO A 103 -5.011 16.140 -6.641 1.00 0.00 C ATOM 1614 CG PRO A 103 -5.270 17.288 -7.574 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.961 17.549 -8.292 1.00 0.00 C ATOM 0 HA PRO A 103 -3.246 14.812 -6.660 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.922 15.572 -6.451 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.647 16.491 -5.675 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -6.061 17.043 -8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.596 18.171 -7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.126 17.920 -9.303 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.361 18.296 -7.772 1.00 0.00 H new ATOM 1623 N PHE A 104 -5.145 14.379 -9.295 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.822 13.400 -10.158 1.00 0.00 C ATOM 1625 C PHE A 104 -4.876 12.963 -11.286 1.00 0.00 C ATOM 1626 O PHE A 104 -3.727 13.377 -11.361 1.00 0.00 O ATOM 1627 CB PHE A 104 -7.140 13.998 -10.756 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.957 14.809 -9.750 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -8.526 14.192 -8.641 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -8.128 16.190 -9.896 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -9.246 14.917 -7.715 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.849 16.914 -8.964 1.00 0.00 C ATOM 1633 CZ PHE A 104 -9.407 16.276 -7.875 1.00 0.00 C ATOM 0 H PHE A 104 -5.148 15.324 -9.678 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.089 12.532 -9.556 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.888 14.635 -11.604 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.756 13.185 -11.140 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.402 13.128 -8.503 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.693 16.696 -10.745 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -9.684 14.419 -6.863 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.975 17.979 -9.089 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.970 16.842 -7.148 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.389 12.090 -12.128 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.732 11.619 -13.351 1.00 0.00 C ATOM 1645 C CYS A 105 -5.285 12.396 -14.553 1.00 0.00 C ATOM 1646 O CYS A 105 -6.177 13.223 -14.373 1.00 0.00 O ATOM 1647 CB CYS A 105 -5.066 10.145 -13.456 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.850 9.902 -13.362 1.00 0.00 S ATOM 0 H CYS A 105 -6.306 11.668 -11.983 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.653 11.771 -13.332 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.686 9.745 -14.396 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.574 9.595 -12.654 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.165 9.449 -12.185 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.795 12.108 -15.772 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.220 12.840 -16.988 1.00 0.00 C ATOM 1655 C GLN A 106 -6.715 12.604 -17.296 1.00 0.00 C ATOM 1656 O GLN A 106 -7.495 13.560 -17.367 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.343 12.449 -18.208 1.00 0.00 C ATOM 1658 CG GLN A 106 -4.750 13.130 -19.540 1.00 0.00 C ATOM 1659 CD GLN A 106 -3.890 12.757 -20.755 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -3.696 13.573 -21.655 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -3.411 11.522 -20.826 1.00 0.00 N ATOM 0 H GLN A 106 -4.106 11.376 -15.945 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.082 13.904 -16.793 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.305 12.701 -17.989 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.388 11.368 -18.339 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.787 12.875 -19.757 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.709 14.211 -19.404 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -3.585 10.863 -20.067 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.869 11.231 -21.640 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.109 11.323 -17.425 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.488 10.950 -17.825 1.00 0.00 C ATOM 1672 C GLU A 107 -9.517 11.306 -16.738 1.00 0.00 C ATOM 1673 O GLU A 107 -10.647 11.673 -17.054 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.625 9.446 -18.218 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.265 8.409 -17.131 1.00 0.00 C ATOM 1676 CD GLU A 107 -6.751 8.195 -16.956 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -6.160 7.399 -17.711 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.145 8.834 -16.088 1.00 0.00 O ATOM 0 H GLU A 107 -6.495 10.526 -17.259 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.701 11.541 -18.716 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.654 9.268 -18.530 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.992 9.262 -19.086 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.690 8.731 -16.180 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.731 7.456 -17.382 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.117 11.200 -15.456 1.00 0.00 N ATOM 1686 CA CYS A 108 -10.014 11.527 -14.320 1.00 0.00 C ATOM 1687 C CYS A 108 -10.076 13.038 -14.051 1.00 0.00 C ATOM 1688 O CYS A 108 -11.027 13.498 -13.433 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.608 10.786 -13.045 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.591 8.964 -13.218 1.00 0.00 S ATOM 0 H CYS A 108 -8.185 10.893 -15.177 1.00 0.00 H new ATOM 0 HA CYS A 108 -11.009 11.192 -14.612 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.616 11.121 -12.742 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.295 11.058 -12.244 1.00 0.00 H new ATOM 0 HG CYS A 108 -9.357 8.420 -12.061 1.00 0.00 H new ATOM 1695 N ALA A 109 -9.045 13.801 -14.475 1.00 0.00 N ATOM 1696 CA ALA A 109 -9.092 15.281 -14.432 1.00 0.00 C ATOM 1697 C ALA A 109 -9.922 15.814 -15.615 1.00 0.00 C ATOM 1698 O ALA A 109 -10.464 16.920 -15.553 1.00 0.00 O ATOM 1699 CB ALA A 109 -7.676 15.882 -14.425 1.00 0.00 C ATOM 0 H ALA A 109 -8.175 13.421 -14.849 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.576 15.588 -13.505 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.742 16.970 -14.393 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.134 15.526 -13.549 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -7.147 15.577 -15.328 1.00 0.00 H new ATOM 1705 N ALA A 110 -10.008 15.003 -16.691 1.00 0.00 N ATOM 1706 CA ALA A 110 -10.878 15.276 -17.853 1.00 0.00 C ATOM 1707 C ALA A 110 -12.326 14.831 -17.569 1.00 0.00 C ATOM 1708 O ALA A 110 -13.280 15.374 -18.142 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.330 14.566 -19.103 1.00 0.00 C ATOM 0 H ALA A 110 -9.474 14.138 -16.778 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.885 16.351 -18.035 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.979 14.774 -19.954 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.325 14.929 -19.316 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.297 13.491 -18.926 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.470 13.826 -16.686 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.768 13.258 -16.285 1.00 0.00 C ATOM 1717 C ALA A 111 -13.847 13.160 -14.754 1.00 0.00 C ATOM 1718 O ALA A 111 -13.600 12.100 -14.156 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.986 11.890 -16.946 1.00 0.00 C ATOM 0 H ALA A 111 -11.677 13.380 -16.225 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.566 13.918 -16.625 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.950 11.486 -16.638 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.970 12.003 -18.030 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -13.193 11.208 -16.641 1.00 0.00 H new