USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 410 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 38 CYS SG : rot 154:sc= 0.197 USER MOD Set 1.2: A 41 CYS SG : rot -51:sc= 0.124 USER MOD Set 1.3: A 59 CYS SG : rot -40:sc= -3.22! USER MOD Set 1.4: A 62 CYS SG : rot 180:sc= 0.466 USER MOD Set 2.1: A 11 CYS SG : rot 138:sc= 0.0761 USER MOD Set 2.2: A 14 CYS SG : rot -53:sc= 0.523 USER MOD Set 2.3: A 32 HIS : no HE2:sc= -8.86! C(o=-8.2!,f=-16!) USER MOD Set 2.4: A 35 CYS SG : rot 163:sc= 0.105 USER MOD Single : A 16 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.527) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 151:sc= 0.205 (180deg=-0.0251) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= -0.183 (180deg=-0.416) USER MOD Single : A 44 SER OG : rot 180:sc= -1.06 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 148:sc= -2.69 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.779 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= -0.503 (180deg=-0.849) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.281 K(o=-0.28,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 122 N GLY A 10 -13.871 -2.864 -10.466 1.00 0.00 N ATOM 123 CA GLY A 10 -13.076 -3.960 -10.994 1.00 0.00 C ATOM 124 C GLY A 10 -11.617 -3.527 -11.177 1.00 0.00 C ATOM 125 O GLY A 10 -11.154 -2.616 -10.486 1.00 0.00 O ATOM 0 HA2 GLY A 10 -13.126 -4.812 -10.316 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.487 -4.287 -11.949 1.00 0.00 H new ATOM 129 N CYS A 11 -10.850 -4.358 -11.878 1.00 0.00 N ATOM 130 CA CYS A 11 -9.403 -4.472 -11.610 1.00 0.00 C ATOM 131 C CYS A 11 -8.663 -4.601 -12.956 1.00 0.00 C ATOM 132 O CYS A 11 -8.439 -5.726 -13.450 1.00 0.00 O ATOM 133 CB CYS A 11 -9.142 -5.674 -10.719 1.00 0.00 C ATOM 134 SG CYS A 11 -7.541 -5.688 -9.878 1.00 0.00 S ATOM 0 H CYS A 11 -11.192 -4.959 -12.628 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.038 -3.586 -11.090 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.929 -5.724 -9.966 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.223 -6.577 -11.324 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.699 -6.085 -8.650 1.00 0.00 H new ATOM 139 N PRO A 12 -7.975 -3.502 -13.334 1.00 0.00 N ATOM 140 CA PRO A 12 -7.057 -3.491 -14.499 1.00 0.00 C ATOM 141 C PRO A 12 -5.922 -4.509 -14.394 1.00 0.00 C ATOM 142 O PRO A 12 -5.171 -4.710 -15.346 1.00 0.00 O ATOM 143 CB PRO A 12 -6.556 -2.059 -14.643 1.00 0.00 C ATOM 144 CG PRO A 12 -7.316 -1.186 -13.688 1.00 0.00 C ATOM 145 CD PRO A 12 -8.019 -2.138 -12.730 1.00 0.00 C ATOM 0 HA PRO A 12 -7.591 -3.805 -15.396 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.488 -2.009 -14.432 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.696 -1.711 -15.666 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.645 -0.516 -13.151 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.035 -0.561 -14.217 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.527 -2.134 -11.757 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.050 -1.825 -12.567 1.00 0.00 H new ATOM 153 N ARG A 13 -5.705 -4.990 -13.175 1.00 0.00 N ATOM 154 CA ARG A 13 -4.536 -5.798 -12.862 1.00 0.00 C ATOM 155 C ARG A 13 -4.782 -7.258 -13.221 1.00 0.00 C ATOM 156 O ARG A 13 -4.155 -7.801 -14.127 1.00 0.00 O ATOM 157 CB ARG A 13 -4.137 -5.681 -11.386 1.00 0.00 C ATOM 158 CG ARG A 13 -3.795 -4.269 -10.930 1.00 0.00 C ATOM 159 CD ARG A 13 -2.562 -3.760 -11.596 1.00 0.00 C ATOM 160 NE ARG A 13 -2.837 -3.210 -12.915 1.00 0.00 N ATOM 161 CZ ARG A 13 -1.911 -3.095 -13.868 1.00 0.00 C ATOM 162 NH1 ARG A 13 -0.621 -3.295 -13.612 1.00 0.00 N ATOM 163 NH2 ARG A 13 -2.280 -2.717 -15.093 1.00 0.00 N ATOM 0 H ARG A 13 -6.329 -4.832 -12.384 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.710 -5.415 -13.462 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.954 -6.059 -10.772 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.277 -6.325 -11.204 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.629 -3.603 -11.150 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.656 -4.259 -9.849 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.105 -2.992 -10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.839 -4.570 -11.686 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.786 -2.897 -13.121 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.321 -3.542 -12.669 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.068 -3.201 -14.359 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.261 -2.520 -15.292 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.581 -2.625 -15.831 1.00 0.00 H new ATOM 177 N CYS A 14 -5.703 -7.880 -12.490 1.00 0.00 N ATOM 178 CA CYS A 14 -5.907 -9.318 -12.583 1.00 0.00 C ATOM 179 C CYS A 14 -6.904 -9.648 -13.688 1.00 0.00 C ATOM 180 O CYS A 14 -6.958 -10.776 -14.175 1.00 0.00 O ATOM 181 CB CYS A 14 -6.282 -9.932 -11.245 1.00 0.00 C ATOM 182 SG CYS A 14 -7.803 -9.322 -10.491 1.00 0.00 S ATOM 0 H CYS A 14 -6.319 -7.409 -11.827 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.957 -9.777 -12.857 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.372 -11.010 -11.376 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.461 -9.763 -10.548 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.760 -8.025 -10.415 1.00 0.00 H new ATOM 187 N GLY A 15 -7.827 -8.713 -13.915 1.00 0.00 N ATOM 188 CA GLY A 15 -8.798 -8.849 -14.992 1.00 0.00 C ATOM 189 C GLY A 15 -10.088 -9.475 -14.471 1.00 0.00 C ATOM 190 O GLY A 15 -10.954 -9.873 -15.250 1.00 0.00 O ATOM 0 H GLY A 15 -7.920 -7.857 -13.368 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.010 -7.871 -15.424 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.383 -9.467 -15.788 1.00 0.00 H new ATOM 194 N GLN A 16 -10.261 -9.423 -13.154 1.00 0.00 N ATOM 195 CA GLN A 16 -11.563 -9.660 -12.539 1.00 0.00 C ATOM 196 C GLN A 16 -12.293 -8.336 -12.330 1.00 0.00 C ATOM 197 O GLN A 16 -11.808 -7.280 -12.732 1.00 0.00 O ATOM 198 CB GLN A 16 -11.461 -10.445 -11.230 1.00 0.00 C ATOM 199 CG GLN A 16 -11.731 -11.929 -11.385 1.00 0.00 C ATOM 200 CD GLN A 16 -11.645 -12.685 -10.081 1.00 0.00 C ATOM 201 OE1 GLN A 16 -12.583 -13.355 -9.655 1.00 0.00 O ATOM 202 NE2 GLN A 16 -10.524 -12.494 -9.389 1.00 0.00 N ATOM 0 H GLN A 16 -9.514 -9.218 -12.490 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.140 -10.280 -13.225 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.464 -10.308 -10.812 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.168 -10.029 -10.512 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.723 -12.069 -11.815 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.015 -12.351 -12.091 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.771 -11.930 -9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.418 -12.912 -8.465 1.00 0.00 H new ATOM 211 N ALA A 17 -13.386 -8.396 -11.575 1.00 0.00 N ATOM 212 CA ALA A 17 -13.998 -7.200 -11.010 1.00 0.00 C ATOM 213 C ALA A 17 -15.001 -7.583 -9.917 1.00 0.00 C ATOM 214 O ALA A 17 -15.460 -8.726 -9.872 1.00 0.00 O ATOM 215 CB ALA A 17 -14.666 -6.375 -12.100 1.00 0.00 C ATOM 0 H ALA A 17 -13.867 -9.264 -11.340 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.218 -6.588 -10.558 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.117 -5.486 -11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -13.921 -6.076 -12.838 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -15.439 -6.971 -12.586 1.00 0.00 H new ATOM 221 N VAL A 18 -15.077 -6.734 -8.894 1.00 0.00 N ATOM 222 CA VAL A 18 -15.546 -7.153 -7.573 1.00 0.00 C ATOM 223 C VAL A 18 -16.358 -6.044 -6.921 1.00 0.00 C ATOM 224 O VAL A 18 -16.072 -4.859 -7.085 1.00 0.00 O ATOM 225 CB VAL A 18 -14.358 -7.639 -6.721 1.00 0.00 C ATOM 226 CG1 VAL A 18 -14.785 -8.086 -5.327 1.00 0.00 C ATOM 227 CG2 VAL A 18 -13.578 -8.740 -7.423 1.00 0.00 C ATOM 0 H VAL A 18 -14.819 -5.749 -8.954 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.223 -8.002 -7.668 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.699 -6.780 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.911 -8.419 -4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.254 -7.252 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -15.497 -8.907 -5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.748 -9.057 -6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.236 -9.589 -7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.191 -8.364 -8.370 1.00 0.00 H new ATOM 237 N TYR A 19 -17.465 -6.438 -6.293 1.00 0.00 N ATOM 238 CA TYR A 19 -18.218 -5.535 -5.435 1.00 0.00 C ATOM 239 C TYR A 19 -18.065 -5.939 -3.971 1.00 0.00 C ATOM 240 O TYR A 19 -18.437 -5.190 -3.069 1.00 0.00 O ATOM 241 CB TYR A 19 -19.706 -5.498 -5.841 1.00 0.00 C ATOM 242 CG TYR A 19 -20.556 -4.570 -5.003 1.00 0.00 C ATOM 243 CD1 TYR A 19 -20.278 -3.204 -4.960 1.00 0.00 C ATOM 244 CD2 TYR A 19 -21.600 -5.054 -4.212 1.00 0.00 C ATOM 245 CE1 TYR A 19 -21.014 -2.340 -4.157 1.00 0.00 C ATOM 246 CE2 TYR A 19 -22.354 -4.201 -3.407 1.00 0.00 C ATOM 247 CZ TYR A 19 -22.041 -2.843 -3.368 1.00 0.00 C ATOM 248 OH TYR A 19 -22.711 -1.973 -2.555 1.00 0.00 O ATOM 0 H TYR A 19 -17.857 -7.377 -6.365 1.00 0.00 H new ATOM 0 HA TYR A 19 -17.813 -4.531 -5.559 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -19.778 -5.194 -6.885 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -20.114 -6.506 -5.773 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -19.474 -2.809 -5.563 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -21.828 -6.110 -4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -20.789 -1.284 -4.147 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -23.173 -4.589 -2.819 1.00 0.00 H new ATOM 0 HH TYR A 19 -23.405 -2.456 -2.059 1.00 0.00 H new ATOM 258 N ALA A 20 -17.653 -7.185 -3.763 1.00 0.00 N ATOM 259 CA ALA A 20 -17.718 -7.810 -2.449 1.00 0.00 C ATOM 260 C ALA A 20 -16.323 -8.230 -1.994 1.00 0.00 C ATOM 261 O ALA A 20 -15.906 -7.923 -0.878 1.00 0.00 O ATOM 262 CB ALA A 20 -18.668 -9.002 -2.475 1.00 0.00 C ATOM 0 H ALA A 20 -17.268 -7.784 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.105 -7.086 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -18.706 -9.459 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.666 -8.666 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -18.313 -9.735 -3.199 1.00 0.00 H new ATOM 268 N ALA A 21 -15.670 -9.048 -2.817 1.00 0.00 N ATOM 269 CA ALA A 21 -14.516 -9.822 -2.369 1.00 0.00 C ATOM 270 C ALA A 21 -13.399 -8.894 -1.913 1.00 0.00 C ATOM 271 O ALA A 21 -13.178 -8.709 -0.716 1.00 0.00 O ATOM 272 CB ALA A 21 -14.047 -10.766 -3.468 1.00 0.00 C ATOM 0 H ALA A 21 -15.920 -9.191 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.811 -10.431 -1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.186 -11.335 -3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.854 -11.452 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.765 -10.188 -4.348 1.00 0.00 H new ATOM 278 N GLU A 22 -12.728 -8.272 -2.878 1.00 0.00 N ATOM 279 CA GLU A 22 -11.447 -7.623 -2.609 1.00 0.00 C ATOM 280 C GLU A 22 -11.537 -6.122 -2.862 1.00 0.00 C ATOM 281 O GLU A 22 -10.519 -5.429 -2.919 1.00 0.00 O ATOM 282 CB GLU A 22 -10.404 -8.280 -3.504 1.00 0.00 C ATOM 283 CG GLU A 22 -10.478 -9.774 -3.643 1.00 0.00 C ATOM 284 CD GLU A 22 -10.986 -10.581 -2.489 1.00 0.00 C ATOM 285 OE1 GLU A 22 -10.649 -10.094 -1.387 1.00 0.00 O ATOM 286 OE2 GLU A 22 -11.540 -11.663 -2.600 1.00 0.00 O ATOM 0 H GLU A 22 -13.045 -8.203 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.167 -7.744 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.485 -7.841 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.416 -8.023 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.110 -9.995 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.477 -10.133 -3.882 1.00 0.00 H new ATOM 293 N LYS A 23 -12.750 -5.646 -3.115 1.00 0.00 N ATOM 294 CA LYS A 23 -12.952 -4.354 -3.762 1.00 0.00 C ATOM 295 C LYS A 23 -12.352 -3.236 -2.917 1.00 0.00 C ATOM 296 O LYS A 23 -12.824 -2.956 -1.816 1.00 0.00 O ATOM 297 CB LYS A 23 -14.434 -4.062 -3.998 1.00 0.00 C ATOM 298 CG LYS A 23 -14.693 -2.877 -4.929 1.00 0.00 C ATOM 299 CD LYS A 23 -15.568 -1.807 -4.302 1.00 0.00 C ATOM 300 CE LYS A 23 -14.993 -1.153 -3.115 1.00 0.00 C ATOM 301 NZ LYS A 23 -15.661 0.143 -2.832 1.00 0.00 N ATOM 0 H LYS A 23 -13.613 -6.137 -2.881 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.451 -4.399 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.907 -4.950 -4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.913 -3.869 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.740 -2.435 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.167 -3.237 -5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.779 -1.045 -5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.523 -2.255 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.092 -1.811 -2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.927 -0.988 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.947 0.852 -2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.172 0.463 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.333 0.023 -2.047 1.00 0.00 H new ATOM 315 N VAL A 24 -11.430 -2.496 -3.524 1.00 0.00 N ATOM 316 CA VAL A 24 -10.962 -1.233 -2.967 1.00 0.00 C ATOM 317 C VAL A 24 -11.193 -0.098 -3.963 1.00 0.00 C ATOM 318 O VAL A 24 -11.301 -0.338 -5.167 1.00 0.00 O ATOM 319 CB VAL A 24 -9.491 -1.355 -2.516 1.00 0.00 C ATOM 320 CG1 VAL A 24 -9.346 -2.098 -1.193 1.00 0.00 C ATOM 321 CG2 VAL A 24 -8.626 -1.989 -3.592 1.00 0.00 C ATOM 0 H VAL A 24 -10.990 -2.752 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.540 -0.990 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.135 -0.338 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.292 -2.156 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.892 -1.565 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.750 -3.105 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.597 -2.058 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.000 -2.988 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.659 -1.377 -4.493 1.00 0.00 H new ATOM 331 N ILE A 25 -11.011 1.126 -3.479 1.00 0.00 N ATOM 332 CA ILE A 25 -10.948 2.298 -4.339 1.00 0.00 C ATOM 333 C ILE A 25 -9.973 3.324 -3.770 1.00 0.00 C ATOM 334 O ILE A 25 -9.816 3.436 -2.555 1.00 0.00 O ATOM 335 CB ILE A 25 -12.389 2.909 -4.534 1.00 0.00 C ATOM 336 CG1 ILE A 25 -13.318 1.829 -5.146 1.00 0.00 C ATOM 337 CG2 ILE A 25 -12.378 4.208 -5.366 1.00 0.00 C ATOM 338 CD1 ILE A 25 -14.764 2.309 -5.421 1.00 0.00 C ATOM 0 H ILE A 25 -10.904 1.331 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.577 2.001 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.776 3.200 -3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.881 1.479 -6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.354 0.974 -4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.396 4.583 -5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.764 4.956 -4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.966 4.004 -6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -15.344 1.491 -5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -15.224 2.631 -4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.743 3.144 -6.122 1.00 0.00 H new ATOM 350 N GLY A 26 -9.211 3.942 -4.666 1.00 0.00 N ATOM 351 CA GLY A 26 -8.094 4.790 -4.276 1.00 0.00 C ATOM 352 C GLY A 26 -7.649 5.657 -5.450 1.00 0.00 C ATOM 353 O GLY A 26 -7.130 5.153 -6.444 1.00 0.00 O ATOM 0 H GLY A 26 -9.349 3.870 -5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.385 5.423 -3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.262 4.173 -3.936 1.00 0.00 H new ATOM 357 N ALA A 27 -7.718 6.969 -5.246 1.00 0.00 N ATOM 358 CA ALA A 27 -7.127 7.925 -6.172 1.00 0.00 C ATOM 359 C ALA A 27 -7.780 7.805 -7.547 1.00 0.00 C ATOM 360 O ALA A 27 -7.160 8.105 -8.565 1.00 0.00 O ATOM 361 CB ALA A 27 -5.619 7.713 -6.261 1.00 0.00 C ATOM 0 H ALA A 27 -8.180 7.395 -4.443 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.306 8.934 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.191 8.434 -6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.173 7.850 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.414 6.702 -6.614 1.00 0.00 H new ATOM 367 N GLY A 28 -8.936 7.147 -7.563 1.00 0.00 N ATOM 368 CA GLY A 28 -9.658 6.892 -8.800 1.00 0.00 C ATOM 369 C GLY A 28 -9.581 5.413 -9.167 1.00 0.00 C ATOM 370 O GLY A 28 -10.328 4.938 -10.023 1.00 0.00 O ATOM 0 H GLY A 28 -9.392 6.780 -6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.700 7.192 -8.688 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.237 7.495 -9.605 1.00 0.00 H new ATOM 374 N LYS A 29 -8.556 4.751 -8.644 1.00 0.00 N ATOM 375 CA LYS A 29 -8.248 3.380 -9.021 1.00 0.00 C ATOM 376 C LYS A 29 -9.166 2.407 -8.288 1.00 0.00 C ATOM 377 O LYS A 29 -9.268 2.439 -7.063 1.00 0.00 O ATOM 378 CB LYS A 29 -6.793 3.016 -8.711 1.00 0.00 C ATOM 379 CG LYS A 29 -5.864 3.092 -9.924 1.00 0.00 C ATOM 380 CD LYS A 29 -5.116 1.797 -10.183 1.00 0.00 C ATOM 381 CE LYS A 29 -5.232 1.278 -11.555 1.00 0.00 C ATOM 382 NZ LYS A 29 -4.046 1.637 -12.373 1.00 0.00 N ATOM 0 H LYS A 29 -7.920 5.147 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.404 3.304 -10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.418 3.685 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.760 2.006 -8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.449 3.349 -10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.144 3.896 -9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.061 1.952 -9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.482 1.038 -9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.342 0.194 -11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.132 1.678 -12.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.159 1.256 -13.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.956 2.672 -12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.191 1.234 -11.940 1.00 0.00 H new ATOM 396 N SER A 30 -9.692 1.446 -9.039 1.00 0.00 N ATOM 397 CA SER A 30 -10.386 0.304 -8.460 1.00 0.00 C ATOM 398 C SER A 30 -9.485 -0.928 -8.472 1.00 0.00 C ATOM 399 O SER A 30 -8.895 -1.264 -9.498 1.00 0.00 O ATOM 400 CB SER A 30 -11.704 0.029 -9.173 1.00 0.00 C ATOM 401 OG SER A 30 -12.567 1.150 -9.118 1.00 0.00 O ATOM 0 H SER A 30 -9.650 1.437 -10.058 1.00 0.00 H new ATOM 0 HA SER A 30 -10.625 0.545 -7.424 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.509 -0.231 -10.213 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.193 -0.831 -8.716 1.00 0.00 H new ATOM 0 HG SER A 30 -13.403 0.943 -9.586 1.00 0.00 H new ATOM 407 N TRP A 31 -9.214 -1.443 -7.276 1.00 0.00 N ATOM 408 CA TRP A 31 -8.251 -2.512 -7.092 1.00 0.00 C ATOM 409 C TRP A 31 -8.925 -3.697 -6.373 1.00 0.00 C ATOM 410 O TRP A 31 -9.917 -3.496 -5.671 1.00 0.00 O ATOM 411 CB TRP A 31 -6.987 -2.065 -6.377 1.00 0.00 C ATOM 412 CG TRP A 31 -6.723 -0.597 -6.341 1.00 0.00 C ATOM 413 CD1 TRP A 31 -7.591 0.380 -5.908 1.00 0.00 C ATOM 414 CD2 TRP A 31 -5.427 0.029 -6.376 1.00 0.00 C ATOM 415 NE1 TRP A 31 -6.959 1.603 -5.916 1.00 0.00 N ATOM 416 CE2 TRP A 31 -5.627 1.410 -6.154 1.00 0.00 C ATOM 417 CE3 TRP A 31 -4.141 -0.449 -6.605 1.00 0.00 C ATOM 418 CZ2 TRP A 31 -4.583 2.322 -6.184 1.00 0.00 C ATOM 419 CZ3 TRP A 31 -3.098 0.455 -6.605 1.00 0.00 C ATOM 420 CH2 TRP A 31 -3.313 1.817 -6.420 1.00 0.00 C ATOM 0 H TRP A 31 -9.657 -1.129 -6.413 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.922 -2.832 -8.081 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.030 -2.429 -5.350 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.136 -2.553 -6.853 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.615 0.212 -5.607 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.411 2.505 -5.768 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -3.963 -1.500 -6.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -4.751 3.378 -6.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.090 0.096 -6.752 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.473 2.495 -6.461 1.00 0.00 H new ATOM 431 N HIS A 32 -8.161 -4.778 -6.254 1.00 0.00 N ATOM 432 CA HIS A 32 -8.403 -5.796 -5.236 1.00 0.00 C ATOM 433 C HIS A 32 -7.368 -5.679 -4.121 1.00 0.00 C ATOM 434 O HIS A 32 -6.192 -5.423 -4.379 1.00 0.00 O ATOM 435 CB HIS A 32 -8.383 -7.242 -5.793 1.00 0.00 C ATOM 436 CG HIS A 32 -9.453 -7.469 -6.826 1.00 0.00 C ATOM 437 ND1 HIS A 32 -9.184 -7.735 -8.150 1.00 0.00 N ATOM 438 CD2 HIS A 32 -10.775 -7.154 -6.766 1.00 0.00 C ATOM 439 CE1 HIS A 32 -10.338 -7.772 -8.812 1.00 0.00 C ATOM 440 NE2 HIS A 32 -11.280 -7.272 -8.034 1.00 0.00 N ATOM 0 H HIS A 32 -7.361 -4.973 -6.856 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.407 -5.610 -4.854 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.407 -7.446 -6.233 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.517 -7.947 -4.973 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -8.259 -7.879 -8.554 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.325 -6.865 -5.882 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -10.480 -8.147 -9.815 1.00 0.00 H new ATOM 448 N LYS A 33 -7.768 -6.138 -2.936 1.00 0.00 N ATOM 449 CA LYS A 33 -6.892 -6.120 -1.774 1.00 0.00 C ATOM 450 C LYS A 33 -5.649 -6.970 -2.031 1.00 0.00 C ATOM 451 O LYS A 33 -4.536 -6.565 -1.693 1.00 0.00 O ATOM 452 CB LYS A 33 -7.596 -6.640 -0.520 1.00 0.00 C ATOM 453 CG LYS A 33 -8.071 -8.089 -0.631 1.00 0.00 C ATOM 454 CD LYS A 33 -8.036 -8.831 0.692 1.00 0.00 C ATOM 455 CE LYS A 33 -9.333 -9.365 1.137 1.00 0.00 C ATOM 456 NZ LYS A 33 -9.354 -10.848 1.094 1.00 0.00 N ATOM 0 H LYS A 33 -8.694 -6.526 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.608 -5.081 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.916 -6.555 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.454 -6.002 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.089 -8.102 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.446 -8.615 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.328 -9.656 0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.654 -8.158 1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.538 -9.026 2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.127 -8.970 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.007 -11.207 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.672 -11.164 0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.398 -11.214 1.277 1.00 0.00 H new ATOM 470 N SER A 34 -5.821 -7.960 -2.907 1.00 0.00 N ATOM 471 CA SER A 34 -4.730 -8.850 -3.275 1.00 0.00 C ATOM 472 C SER A 34 -3.889 -8.232 -4.387 1.00 0.00 C ATOM 473 O SER A 34 -2.690 -8.487 -4.487 1.00 0.00 O ATOM 474 CB SER A 34 -5.243 -10.228 -3.673 1.00 0.00 C ATOM 475 OG SER A 34 -4.221 -11.205 -3.595 1.00 0.00 O ATOM 0 H SER A 34 -6.706 -8.162 -3.372 1.00 0.00 H new ATOM 0 HA SER A 34 -4.095 -8.983 -2.399 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.069 -10.512 -3.021 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.636 -10.192 -4.689 1.00 0.00 H new ATOM 0 HG SER A 34 -4.582 -12.078 -3.855 1.00 0.00 H new ATOM 481 N CYS A 35 -4.511 -7.328 -5.136 1.00 0.00 N ATOM 482 CA CYS A 35 -3.802 -6.519 -6.117 1.00 0.00 C ATOM 483 C CYS A 35 -3.424 -5.168 -5.517 1.00 0.00 C ATOM 484 O CYS A 35 -3.321 -4.169 -6.226 1.00 0.00 O ATOM 485 CB CYS A 35 -4.625 -6.355 -7.393 1.00 0.00 C ATOM 486 SG CYS A 35 -5.101 -7.912 -8.179 1.00 0.00 S ATOM 0 H CYS A 35 -5.511 -7.137 -5.081 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.882 -7.036 -6.391 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.527 -5.789 -7.159 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.053 -5.762 -8.106 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.078 -7.698 -9.010 1.00 0.00 H new ATOM 491 N PHE A 36 -3.305 -5.145 -4.195 1.00 0.00 N ATOM 492 CA PHE A 36 -3.139 -3.900 -3.458 1.00 0.00 C ATOM 493 C PHE A 36 -1.751 -3.842 -2.823 1.00 0.00 C ATOM 494 O PHE A 36 -1.518 -4.443 -1.775 1.00 0.00 O ATOM 495 CB PHE A 36 -4.205 -3.687 -2.352 1.00 0.00 C ATOM 496 CG PHE A 36 -4.431 -2.234 -2.047 1.00 0.00 C ATOM 497 CD1 PHE A 36 -3.394 -1.323 -1.850 1.00 0.00 C ATOM 498 CD2 PHE A 36 -5.755 -1.800 -1.946 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.671 -0.004 -1.473 1.00 0.00 C ATOM 500 CE2 PHE A 36 -6.053 -0.485 -1.625 1.00 0.00 C ATOM 501 CZ PHE A 36 -5.011 0.407 -1.358 1.00 0.00 C ATOM 0 H PHE A 36 -3.321 -5.980 -3.609 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.265 -3.102 -4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.145 -4.140 -2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.890 -4.201 -1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.370 -1.637 -1.989 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.559 -2.500 -2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.867 0.689 -1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.080 -0.153 -1.582 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.237 1.421 -1.061 1.00 0.00 H new ATOM 511 N ARG A 37 -0.803 -3.305 -3.583 1.00 0.00 N ATOM 512 CA ARG A 37 0.612 -3.432 -3.257 1.00 0.00 C ATOM 513 C ARG A 37 1.189 -2.073 -2.864 1.00 0.00 C ATOM 514 O ARG A 37 1.175 -1.133 -3.657 1.00 0.00 O ATOM 515 CB ARG A 37 1.414 -4.015 -4.428 1.00 0.00 C ATOM 516 CG ARG A 37 1.112 -3.385 -5.780 1.00 0.00 C ATOM 517 CD ARG A 37 2.298 -2.670 -6.332 1.00 0.00 C ATOM 518 NE ARG A 37 2.020 -2.067 -7.628 1.00 0.00 N ATOM 519 CZ ARG A 37 2.489 -0.872 -7.994 1.00 0.00 C ATOM 520 NH1 ARG A 37 3.412 -0.238 -7.278 1.00 0.00 N ATOM 521 NH2 ARG A 37 2.067 -0.330 -9.136 1.00 0.00 N ATOM 0 H ARG A 37 -0.991 -2.775 -4.434 1.00 0.00 H new ATOM 0 HA ARG A 37 0.693 -4.120 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.477 -3.898 -4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.217 -5.085 -4.489 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.795 -4.159 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.281 -2.687 -5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.612 -1.896 -5.632 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.129 -3.368 -6.428 1.00 0.00 H new ATOM 0 HE ARG A 37 1.439 -2.583 -8.288 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.779 -0.664 -6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.754 0.674 -7.580 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.394 -0.828 -9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.417 0.583 -9.427 1.00 0.00 H new ATOM 535 N CYS A 38 1.884 -2.059 -1.732 1.00 0.00 N ATOM 536 CA CYS A 38 2.705 -0.928 -1.338 1.00 0.00 C ATOM 537 C CYS A 38 3.871 -0.747 -2.315 1.00 0.00 C ATOM 538 O CYS A 38 4.949 -1.312 -2.088 1.00 0.00 O ATOM 539 CB CYS A 38 3.211 -1.090 0.096 1.00 0.00 C ATOM 540 SG CYS A 38 3.876 0.428 0.821 1.00 0.00 S ATOM 0 H CYS A 38 1.892 -2.831 -1.065 1.00 0.00 H new ATOM 0 HA CYS A 38 2.088 -0.030 -1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.393 -1.450 0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.985 -1.857 0.112 1.00 0.00 H new ATOM 0 HG CYS A 38 3.756 0.380 2.115 1.00 0.00 H new ATOM 545 N ALA A 39 3.788 0.346 -3.074 1.00 0.00 N ATOM 546 CA ALA A 39 4.888 0.789 -3.914 1.00 0.00 C ATOM 547 C ALA A 39 5.768 1.790 -3.165 1.00 0.00 C ATOM 548 O ALA A 39 6.654 2.407 -3.755 1.00 0.00 O ATOM 549 CB ALA A 39 4.355 1.397 -5.209 1.00 0.00 C ATOM 0 H ALA A 39 2.961 0.941 -3.120 1.00 0.00 H new ATOM 0 HA ALA A 39 5.501 -0.076 -4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.190 1.724 -5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.774 0.650 -5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.720 2.251 -4.975 1.00 0.00 H new ATOM 555 N LYS A 40 5.639 1.785 -1.845 1.00 0.00 N ATOM 556 CA LYS A 40 6.608 2.433 -0.968 1.00 0.00 C ATOM 557 C LYS A 40 7.687 1.443 -0.546 1.00 0.00 C ATOM 558 O LYS A 40 8.757 1.381 -1.148 1.00 0.00 O ATOM 559 CB LYS A 40 5.942 3.011 0.283 1.00 0.00 C ATOM 560 CG LYS A 40 6.353 4.452 0.593 1.00 0.00 C ATOM 561 CD LYS A 40 7.813 4.584 0.982 1.00 0.00 C ATOM 562 CE LYS A 40 8.180 3.924 2.246 1.00 0.00 C ATOM 563 NZ LYS A 40 9.287 4.639 2.929 1.00 0.00 N ATOM 0 H LYS A 40 4.866 1.336 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 40 7.055 3.252 -1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.860 2.971 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.188 2.381 1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.158 5.075 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.731 4.835 1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.426 4.170 0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.060 5.643 1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.311 3.884 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.478 2.894 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.522 4.149 3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.123 4.656 2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.993 5.614 3.140 1.00 0.00 H new ATOM 577 N CYS A 41 7.317 0.554 0.375 1.00 0.00 N ATOM 578 CA CYS A 41 8.280 -0.357 0.976 1.00 0.00 C ATOM 579 C CYS A 41 8.492 -1.577 0.082 1.00 0.00 C ATOM 580 O CYS A 41 9.598 -2.110 0.005 1.00 0.00 O ATOM 581 CB CYS A 41 7.921 -0.718 2.406 1.00 0.00 C ATOM 582 SG CYS A 41 6.363 -1.591 2.652 1.00 0.00 S ATOM 0 H CYS A 41 6.362 0.448 0.717 1.00 0.00 H new ATOM 0 HA CYS A 41 9.237 0.160 1.047 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.724 -1.332 2.814 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.893 0.200 2.992 1.00 0.00 H new ATOM 0 HG CYS A 41 5.408 -0.955 2.041 1.00 0.00 H new ATOM 587 N GLY A 42 7.498 -1.836 -0.762 1.00 0.00 N ATOM 588 CA GLY A 42 7.653 -2.748 -1.886 1.00 0.00 C ATOM 589 C GLY A 42 6.662 -3.904 -1.775 1.00 0.00 C ATOM 590 O GLY A 42 6.356 -4.569 -2.762 1.00 0.00 O ATOM 0 H GLY A 42 6.569 -1.422 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.493 -2.212 -2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.672 -3.135 -1.910 1.00 0.00 H new ATOM 594 N LYS A 43 6.301 -4.226 -0.537 1.00 0.00 N ATOM 595 CA LYS A 43 5.564 -5.444 -0.239 1.00 0.00 C ATOM 596 C LYS A 43 4.072 -5.236 -0.484 1.00 0.00 C ATOM 597 O LYS A 43 3.593 -4.101 -0.513 1.00 0.00 O ATOM 598 CB LYS A 43 5.772 -5.899 1.206 1.00 0.00 C ATOM 599 CG LYS A 43 5.347 -4.865 2.250 1.00 0.00 C ATOM 600 CD LYS A 43 4.600 -5.475 3.422 1.00 0.00 C ATOM 601 CE LYS A 43 5.447 -5.867 4.559 1.00 0.00 C ATOM 602 NZ LYS A 43 6.715 -6.490 4.103 1.00 0.00 N ATOM 0 H LYS A 43 6.510 -3.653 0.281 1.00 0.00 H new ATOM 0 HA LYS A 43 5.948 -6.219 -0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.211 -6.819 1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.825 -6.137 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.231 -4.347 2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.715 -4.116 1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.856 -4.760 3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.058 -6.353 3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.669 -4.991 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.904 -6.567 5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.194 -6.935 4.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.508 -7.211 3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.333 -5.760 3.694 1.00 0.00 H new ATOM 616 N SER A 44 3.425 -6.304 -0.951 1.00 0.00 N ATOM 617 CA SER A 44 1.988 -6.275 -1.192 1.00 0.00 C ATOM 618 C SER A 44 1.234 -6.759 0.042 1.00 0.00 C ATOM 619 O SER A 44 1.725 -7.607 0.787 1.00 0.00 O ATOM 620 CB SER A 44 1.612 -7.088 -2.424 1.00 0.00 C ATOM 621 OG SER A 44 2.394 -6.722 -3.546 1.00 0.00 O ATOM 0 H SER A 44 3.873 -7.194 -1.168 1.00 0.00 H new ATOM 0 HA SER A 44 1.698 -5.243 -1.388 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.747 -8.149 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.556 -6.939 -2.651 1.00 0.00 H new ATOM 0 HG SER A 44 2.130 -7.263 -4.319 1.00 0.00 H new ATOM 627 N LEU A 45 0.149 -6.052 0.365 1.00 0.00 N ATOM 628 CA LEU A 45 -0.683 -6.394 1.490 1.00 0.00 C ATOM 629 C LEU A 45 -2.175 -6.189 1.152 1.00 0.00 C ATOM 630 O LEU A 45 -2.579 -6.401 0.011 1.00 0.00 O ATOM 631 CB LEU A 45 -0.261 -5.613 2.735 1.00 0.00 C ATOM 632 CG LEU A 45 0.554 -4.346 2.535 1.00 0.00 C ATOM 633 CD1 LEU A 45 -0.452 -3.209 2.251 1.00 0.00 C ATOM 634 CD2 LEU A 45 1.337 -4.045 3.797 1.00 0.00 C ATOM 0 H LEU A 45 -0.166 -5.231 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.547 -7.452 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.164 -5.347 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.315 -6.284 3.372 1.00 0.00 H new ATOM 0 HG LEU A 45 1.261 -4.453 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.088 -2.274 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.025 -3.446 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.130 -3.103 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.922 -3.136 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.647 -3.905 4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.006 -4.877 4.017 1.00 0.00 H new ATOM 646 N GLU A 46 -2.966 -6.255 2.226 1.00 0.00 N ATOM 647 CA GLU A 46 -4.413 -6.263 2.109 1.00 0.00 C ATOM 648 C GLU A 46 -5.058 -6.141 3.494 1.00 0.00 C ATOM 649 O GLU A 46 -5.876 -5.249 3.720 1.00 0.00 O ATOM 650 CB GLU A 46 -4.833 -7.551 1.413 1.00 0.00 C ATOM 651 CG GLU A 46 -4.071 -8.790 1.799 1.00 0.00 C ATOM 652 CD GLU A 46 -3.290 -9.492 0.723 1.00 0.00 C ATOM 653 OE1 GLU A 46 -2.114 -9.274 0.485 1.00 0.00 O ATOM 654 OE2 GLU A 46 -3.930 -10.445 0.228 1.00 0.00 O ATOM 0 H GLU A 46 -2.621 -6.303 3.185 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.749 -5.411 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.890 -7.721 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.733 -7.408 0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.378 -8.523 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.780 -9.503 2.219 1.00 0.00 H new ATOM 661 N SER A 47 -4.915 -7.210 4.272 1.00 0.00 N ATOM 662 CA SER A 47 -5.686 -7.392 5.492 1.00 0.00 C ATOM 663 C SER A 47 -5.383 -6.272 6.485 1.00 0.00 C ATOM 664 O SER A 47 -6.241 -5.887 7.277 1.00 0.00 O ATOM 665 CB SER A 47 -5.439 -8.761 6.113 1.00 0.00 C ATOM 666 OG SER A 47 -4.101 -8.892 6.560 1.00 0.00 O ATOM 0 H SER A 47 -4.264 -7.970 4.074 1.00 0.00 H new ATOM 0 HA SER A 47 -6.743 -7.344 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.120 -8.911 6.951 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.658 -9.539 5.381 1.00 0.00 H new ATOM 0 HG SER A 47 -3.974 -9.780 6.955 1.00 0.00 H new ATOM 672 N THR A 48 -4.224 -5.650 6.302 1.00 0.00 N ATOM 673 CA THR A 48 -3.880 -4.431 7.020 1.00 0.00 C ATOM 674 C THR A 48 -4.203 -3.205 6.172 1.00 0.00 C ATOM 675 O THR A 48 -4.411 -3.312 4.965 1.00 0.00 O ATOM 676 CB THR A 48 -2.357 -4.425 7.460 1.00 0.00 C ATOM 677 OG1 THR A 48 -2.240 -3.389 8.487 1.00 0.00 O ATOM 678 CG2 THR A 48 -1.378 -4.205 6.308 1.00 0.00 C ATOM 0 H THR A 48 -3.503 -5.974 5.657 1.00 0.00 H new ATOM 0 HA THR A 48 -4.483 -4.396 7.927 1.00 0.00 H new ATOM 0 HB THR A 48 -2.079 -5.407 7.842 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.549 -3.645 9.133 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.358 -4.214 6.691 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.497 -5.001 5.573 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.580 -3.243 5.837 1.00 0.00 H new ATOM 686 N THR A 49 -4.390 -2.077 6.848 1.00 0.00 N ATOM 687 CA THR A 49 -4.950 -0.886 6.224 1.00 0.00 C ATOM 688 C THR A 49 -4.055 -0.415 5.080 1.00 0.00 C ATOM 689 O THR A 49 -2.945 -0.921 4.907 1.00 0.00 O ATOM 690 CB THR A 49 -5.167 0.278 7.277 1.00 0.00 C ATOM 691 OG1 THR A 49 -5.394 -0.381 8.564 1.00 0.00 O ATOM 692 CG2 THR A 49 -6.300 1.236 6.916 1.00 0.00 C ATOM 0 H THR A 49 -4.160 -1.963 7.835 1.00 0.00 H new ATOM 0 HA THR A 49 -5.928 -1.150 5.821 1.00 0.00 H new ATOM 0 HB THR A 49 -4.288 0.922 7.302 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.534 0.296 9.258 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.386 2.004 7.685 1.00 0.00 H new ATOM 0 HG22 THR A 49 -6.087 1.706 5.956 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.237 0.683 6.850 1.00 0.00 H new ATOM 700 N LEU A 50 -4.411 0.747 4.532 1.00 0.00 N ATOM 701 CA LEU A 50 -3.659 1.334 3.434 1.00 0.00 C ATOM 702 C LEU A 50 -3.719 2.857 3.502 1.00 0.00 C ATOM 703 O LEU A 50 -4.168 3.426 4.494 1.00 0.00 O ATOM 704 CB LEU A 50 -4.206 0.750 2.121 1.00 0.00 C ATOM 705 CG LEU A 50 -5.717 0.729 1.956 1.00 0.00 C ATOM 706 CD1 LEU A 50 -6.184 1.858 1.050 1.00 0.00 C ATOM 707 CD2 LEU A 50 -6.125 -0.618 1.371 1.00 0.00 C ATOM 0 H LEU A 50 -5.216 1.297 4.834 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.600 1.084 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.782 1.319 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.840 -0.272 2.025 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.186 0.872 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.269 1.819 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.894 2.815 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.725 1.750 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.207 -0.648 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.645 -0.754 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.815 -1.416 2.045 1.00 0.00 H new ATOM 719 N ALA A 51 -3.134 3.495 2.494 1.00 0.00 N ATOM 720 CA ALA A 51 -2.909 4.934 2.520 1.00 0.00 C ATOM 721 C ALA A 51 -2.808 5.480 1.099 1.00 0.00 C ATOM 722 O ALA A 51 -1.719 5.577 0.536 1.00 0.00 O ATOM 723 CB ALA A 51 -1.654 5.258 3.323 1.00 0.00 C ATOM 0 H ALA A 51 -2.806 3.035 1.645 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.757 5.416 3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.498 6.337 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.773 4.898 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.793 4.771 2.865 1.00 0.00 H new ATOM 729 N ASP A 52 -3.970 5.630 0.467 1.00 0.00 N ATOM 730 CA ASP A 52 -4.043 6.198 -0.871 1.00 0.00 C ATOM 731 C ASP A 52 -3.651 7.672 -0.844 1.00 0.00 C ATOM 732 O ASP A 52 -4.511 8.550 -0.792 1.00 0.00 O ATOM 733 CB ASP A 52 -5.393 5.921 -1.528 1.00 0.00 C ATOM 734 CG ASP A 52 -6.570 6.442 -0.724 1.00 0.00 C ATOM 735 OD1 ASP A 52 -7.087 5.750 0.165 1.00 0.00 O ATOM 736 OD2 ASP A 52 -6.983 7.583 -1.023 1.00 0.00 O ATOM 0 H ASP A 52 -4.872 5.365 0.863 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.314 5.700 -1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.408 6.377 -2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.506 4.846 -1.670 1.00 0.00 H new ATOM 741 N LYS A 53 -2.363 7.922 -1.043 1.00 0.00 N ATOM 742 CA LYS A 53 -1.861 9.273 -1.256 1.00 0.00 C ATOM 743 C LYS A 53 -2.155 9.730 -2.681 1.00 0.00 C ATOM 744 O LYS A 53 -2.681 8.970 -3.491 1.00 0.00 O ATOM 745 CB LYS A 53 -0.355 9.367 -1.004 1.00 0.00 C ATOM 746 CG LYS A 53 0.088 10.694 -0.386 1.00 0.00 C ATOM 747 CD LYS A 53 1.068 11.458 -1.256 1.00 0.00 C ATOM 748 CE LYS A 53 1.016 12.921 -1.109 1.00 0.00 C ATOM 749 NZ LYS A 53 2.353 13.484 -0.792 1.00 0.00 N ATOM 0 H LYS A 53 -1.642 7.200 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.372 9.920 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.055 8.552 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.171 9.223 -1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.790 11.315 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.546 10.501 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.078 11.120 -1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.879 11.205 -2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.641 13.367 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.313 13.184 -0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.281 14.517 -0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.699 13.076 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.017 13.254 -1.559 1.00 0.00 H new ATOM 763 N ASP A 54 -1.935 11.018 -2.922 1.00 0.00 N ATOM 764 CA ASP A 54 -2.354 11.653 -4.163 1.00 0.00 C ATOM 765 C ASP A 54 -1.664 10.998 -5.356 1.00 0.00 C ATOM 766 O ASP A 54 -0.654 11.493 -5.850 1.00 0.00 O ATOM 767 CB ASP A 54 -2.190 13.171 -4.103 1.00 0.00 C ATOM 768 CG ASP A 54 -3.029 13.905 -5.131 1.00 0.00 C ATOM 769 OD1 ASP A 54 -4.247 13.624 -5.155 1.00 0.00 O ATOM 770 OD2 ASP A 54 -2.512 14.725 -5.903 1.00 0.00 O ATOM 0 H ASP A 54 -1.466 11.645 -2.268 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.423 11.492 -4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.461 13.520 -3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.140 13.423 -4.254 1.00 0.00 H new ATOM 775 N GLY A 55 -2.309 9.966 -5.888 1.00 0.00 N ATOM 776 CA GLY A 55 -1.883 9.350 -7.136 1.00 0.00 C ATOM 777 C GLY A 55 -1.442 7.910 -6.896 1.00 0.00 C ATOM 778 O GLY A 55 -1.278 7.135 -7.837 1.00 0.00 O ATOM 0 H GLY A 55 -3.134 9.537 -5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.700 9.371 -7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.062 9.921 -7.569 1.00 0.00 H new ATOM 782 N GLU A 56 -1.140 7.608 -5.638 1.00 0.00 N ATOM 783 CA GLU A 56 -0.499 6.349 -5.281 1.00 0.00 C ATOM 784 C GLU A 56 -0.816 5.994 -3.825 1.00 0.00 C ATOM 785 O GLU A 56 -1.789 6.497 -3.262 1.00 0.00 O ATOM 786 CB GLU A 56 0.999 6.505 -5.505 1.00 0.00 C ATOM 787 CG GLU A 56 1.420 6.879 -6.901 1.00 0.00 C ATOM 788 CD GLU A 56 2.894 6.946 -7.191 1.00 0.00 C ATOM 789 OE1 GLU A 56 3.579 5.973 -7.453 1.00 0.00 O ATOM 790 OE2 GLU A 56 3.365 8.081 -6.957 1.00 0.00 O ATOM 0 H GLU A 56 -1.330 8.221 -4.846 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.873 5.534 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.372 7.265 -4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.486 5.567 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.975 6.161 -7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.988 7.853 -7.132 1.00 0.00 H new ATOM 797 N ILE A 57 -0.147 4.956 -3.335 1.00 0.00 N ATOM 798 CA ILE A 57 -0.590 4.245 -2.140 1.00 0.00 C ATOM 799 C ILE A 57 0.607 3.691 -1.378 1.00 0.00 C ATOM 800 O ILE A 57 1.553 3.179 -1.973 1.00 0.00 O ATOM 801 CB ILE A 57 -1.615 3.115 -2.535 1.00 0.00 C ATOM 802 CG1 ILE A 57 -0.888 2.039 -3.383 1.00 0.00 C ATOM 803 CG2 ILE A 57 -2.863 3.673 -3.256 1.00 0.00 C ATOM 804 CD1 ILE A 57 -1.705 0.744 -3.612 1.00 0.00 C ATOM 0 H ILE A 57 0.709 4.586 -3.749 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.103 4.939 -1.474 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.989 2.654 -1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.633 2.469 -4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.050 1.780 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.536 2.853 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.377 4.378 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.558 4.183 -4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.121 0.047 -4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.938 0.286 -2.651 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.631 0.986 -4.133 1.00 0.00 H new ATOM 816 N TYR A 58 0.540 3.778 -0.052 1.00 0.00 N ATOM 817 CA TYR A 58 1.424 2.985 0.803 1.00 0.00 C ATOM 818 C TYR A 58 0.614 2.321 1.917 1.00 0.00 C ATOM 819 O TYR A 58 -0.617 2.312 1.873 1.00 0.00 O ATOM 820 CB TYR A 58 2.564 3.838 1.380 1.00 0.00 C ATOM 821 CG TYR A 58 2.994 4.996 0.511 1.00 0.00 C ATOM 822 CD1 TYR A 58 3.554 4.794 -0.753 1.00 0.00 C ATOM 823 CD2 TYR A 58 2.823 6.310 0.950 1.00 0.00 C ATOM 824 CE1 TYR A 58 3.977 5.866 -1.536 1.00 0.00 C ATOM 825 CE2 TYR A 58 3.240 7.391 0.181 1.00 0.00 C ATOM 826 CZ TYR A 58 3.811 7.166 -1.064 1.00 0.00 C ATOM 827 OH TYR A 58 4.149 8.255 -1.820 1.00 0.00 O ATOM 0 H TYR A 58 -0.109 4.382 0.451 1.00 0.00 H new ATOM 0 HA TYR A 58 1.884 2.207 0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.253 4.226 2.350 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.426 3.195 1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.661 3.788 -1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.357 6.491 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.430 5.691 -2.501 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.120 8.399 0.550 1.00 0.00 H new ATOM 0 HH TYR A 58 3.958 9.074 -1.317 1.00 0.00 H new ATOM 837 N CYS A 59 1.311 1.632 2.823 1.00 0.00 N ATOM 838 CA CYS A 59 0.695 0.518 3.553 1.00 0.00 C ATOM 839 C CYS A 59 0.492 0.866 5.013 1.00 0.00 C ATOM 840 O CYS A 59 1.056 1.832 5.528 1.00 0.00 O ATOM 841 CB CYS A 59 1.387 -0.797 3.289 1.00 0.00 C ATOM 842 SG CYS A 59 2.975 -1.127 4.049 1.00 0.00 S ATOM 0 H CYS A 59 2.284 1.819 3.067 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.309 0.359 3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.707 -1.591 3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.516 -0.887 2.210 1.00 0.00 H new ATOM 0 HG CYS A 59 3.698 -0.047 4.029 1.00 0.00 H new ATOM 847 N LYS A 60 -0.412 0.128 5.662 1.00 0.00 N ATOM 848 CA LYS A 60 -0.544 0.199 7.115 1.00 0.00 C ATOM 849 C LYS A 60 0.623 -0.536 7.780 1.00 0.00 C ATOM 850 O LYS A 60 1.053 -0.152 8.871 1.00 0.00 O ATOM 851 CB LYS A 60 -1.856 -0.411 7.601 1.00 0.00 C ATOM 852 CG LYS A 60 -2.167 -0.130 9.072 1.00 0.00 C ATOM 853 CD LYS A 60 -1.553 -1.146 10.016 1.00 0.00 C ATOM 854 CE LYS A 60 -1.111 -0.602 11.311 1.00 0.00 C ATOM 855 NZ LYS A 60 -0.372 -1.617 12.104 1.00 0.00 N ATOM 0 H LYS A 60 -1.057 -0.519 5.208 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.536 1.254 7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.672 -0.027 6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.822 -1.490 7.447 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.802 0.864 9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.248 -0.119 9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.281 -1.936 10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.699 -1.609 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.473 0.266 11.144 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.977 -0.257 11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.125 -1.150 12.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.042 -2.315 12.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.320 -2.098 11.494 1.00 0.00 H new ATOM 869 N GLY A 61 1.336 -1.304 6.959 1.00 0.00 N ATOM 870 CA GLY A 61 2.648 -1.820 7.308 1.00 0.00 C ATOM 871 C GLY A 61 3.657 -0.692 7.475 1.00 0.00 C ATOM 872 O GLY A 61 4.773 -0.906 7.950 1.00 0.00 O ATOM 0 H GLY A 61 1.015 -1.584 6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.582 -2.392 8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.990 -2.506 6.533 1.00 0.00 H new ATOM 876 N CYS A 62 3.251 0.515 7.091 1.00 0.00 N ATOM 877 CA CYS A 62 4.207 1.604 6.875 1.00 0.00 C ATOM 878 C CYS A 62 3.917 2.731 7.878 1.00 0.00 C ATOM 879 O CYS A 62 4.769 3.048 8.708 1.00 0.00 O ATOM 880 CB CYS A 62 4.141 2.115 5.443 1.00 0.00 C ATOM 881 SG CYS A 62 5.483 1.566 4.361 1.00 0.00 S ATOM 0 H CYS A 62 2.277 0.765 6.923 1.00 0.00 H new ATOM 0 HA CYS A 62 5.219 1.231 7.036 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.193 1.801 5.006 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.136 3.205 5.464 1.00 0.00 H new ATOM 0 HG CYS A 62 5.313 2.064 3.172 1.00 0.00 H new ATOM 886 N TYR A 63 2.631 3.046 8.000 1.00 0.00 N ATOM 887 CA TYR A 63 2.122 3.807 9.133 1.00 0.00 C ATOM 888 C TYR A 63 2.388 3.055 10.437 1.00 0.00 C ATOM 889 O TYR A 63 2.524 3.668 11.495 1.00 0.00 O ATOM 890 CB TYR A 63 0.618 4.106 8.970 1.00 0.00 C ATOM 891 CG TYR A 63 0.000 4.844 10.137 1.00 0.00 C ATOM 892 CD1 TYR A 63 0.566 6.032 10.598 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.066 4.300 10.859 1.00 0.00 C ATOM 894 CE1 TYR A 63 0.068 6.685 11.721 1.00 0.00 C ATOM 895 CE2 TYR A 63 -1.574 4.938 11.990 1.00 0.00 C ATOM 896 CZ TYR A 63 -1.016 6.146 12.401 1.00 0.00 C ATOM 897 OH TYR A 63 -1.511 6.842 13.469 1.00 0.00 O ATOM 0 H TYR A 63 1.918 2.782 7.320 1.00 0.00 H new ATOM 0 HA TYR A 63 2.648 4.761 9.168 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.473 4.695 8.065 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.086 3.165 8.827 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.409 6.454 10.072 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.505 3.368 10.535 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.521 7.604 12.061 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.392 4.500 12.542 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.269 6.355 13.854 1.00 0.00 H new ATOM 907 N ALA A 64 2.754 1.784 10.280 1.00 0.00 N ATOM 908 CA ALA A 64 3.205 0.968 11.396 1.00 0.00 C ATOM 909 C ALA A 64 4.725 1.035 11.524 1.00 0.00 C ATOM 910 O ALA A 64 5.258 1.164 12.624 1.00 0.00 O ATOM 911 CB ALA A 64 2.733 -0.472 11.225 1.00 0.00 C ATOM 0 H ALA A 64 2.745 1.298 9.383 1.00 0.00 H new ATOM 0 HA ALA A 64 2.771 1.360 12.316 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.078 -1.071 12.068 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.644 -0.496 11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.139 -0.880 10.300 1.00 0.00 H new ATOM 917 N LYS A 65 5.400 0.788 10.408 1.00 0.00 N ATOM 918 CA LYS A 65 6.842 0.571 10.410 1.00 0.00 C ATOM 919 C LYS A 65 7.564 1.806 10.938 1.00 0.00 C ATOM 920 O LYS A 65 8.682 1.714 11.442 1.00 0.00 O ATOM 921 CB LYS A 65 7.370 0.243 9.013 1.00 0.00 C ATOM 922 CG LYS A 65 8.873 -0.038 8.968 1.00 0.00 C ATOM 923 CD LYS A 65 9.244 -1.136 7.989 1.00 0.00 C ATOM 924 CE LYS A 65 8.656 -2.452 8.282 1.00 0.00 C ATOM 925 NZ LYS A 65 8.294 -3.176 7.037 1.00 0.00 N ATOM 0 H LYS A 65 4.969 0.733 9.485 1.00 0.00 H new ATOM 0 HA LYS A 65 7.037 -0.281 11.061 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.836 -0.626 8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.146 1.075 8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.400 0.877 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.214 -0.318 9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.935 -0.831 6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.329 -1.235 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.364 -3.048 8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.768 -2.325 8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.882 -4.100 7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.600 -2.618 6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.146 -3.318 6.458 1.00 0.00 H new ATOM 939 N ASN A 66 6.816 2.905 11.019 1.00 0.00 N ATOM 940 CA ASN A 66 7.367 4.170 11.482 1.00 0.00 C ATOM 941 C ASN A 66 7.868 4.040 12.917 1.00 0.00 C ATOM 942 O ASN A 66 8.566 4.917 13.422 1.00 0.00 O ATOM 943 CB ASN A 66 6.389 5.323 11.264 1.00 0.00 C ATOM 944 CG ASN A 66 5.240 5.331 12.255 1.00 0.00 C ATOM 945 OD1 ASN A 66 4.784 4.269 12.705 1.00 0.00 O ATOM 946 ND2 ASN A 66 4.766 6.527 12.602 1.00 0.00 N ATOM 0 H ASN A 66 5.828 2.941 10.769 1.00 0.00 H new ATOM 0 HA ASN A 66 8.238 4.422 10.877 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.929 6.267 11.337 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.987 5.263 10.253 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.994 6.597 13.265 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.175 7.373 12.204 1.00 0.00 H new