USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 678 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 93 LYS NZ :NH3+ -153:sc= 0.27 (180deg=-1.25!) USER MOD Set 1.2: A 97 GLN : amide:sc= -11.5! C(o=-11!,f=-16!) USER MOD Set 2.1: A 66 GLN : amide:sc= -2.29! C(o=-12!,f=-16!) USER MOD Set 2.2: A 76 ASN : amide:sc= -9.74! C(o=-12!,f=-21!) USER MOD Set 3.1: A 45 HIS :FLIP no HE2:sc= -8.33! C(o=-11!,f=-8.5!) USER MOD Set 3.2: A 75 THR OG1 : rot -4:sc= -0.123 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -145:sc= -0.372 (180deg=-1.85!) USER MOD Single : A 17 GLN :FLIP amide:sc= -14.7! C(o=-16!,f=-15!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -129:sc= -0.178 (180deg=-1.03) USER MOD Single : A 20 GLN : amide:sc= -1.02 K(o=-1,f=-3.5!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -138:sc= -4.68! (180deg=-12.2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0514 USER MOD Single : A 46 MET CE :methyl -150:sc= -0.982 (180deg=-3.25!) USER MOD Single : A 47 TYR OH : rot 165:sc= -1.49! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 170:sc= -0.375 USER MOD Single : A 53 GLN : amide:sc= -6.1! C(o=-6.1!,f=-9.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 151:sc= -0.0782 (180deg=-0.466) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.029 F(o=-0.62,f=-0.029) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -3.98! C(o=-4.5!,f=-4!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -13.5! C(o=-13!,f=-16!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.038) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -8.714 -6.690 -6.897 1.00 0.00 N ATOM 97 CA VAL A 8 -7.537 -6.043 -6.356 1.00 0.00 C ATOM 98 C VAL A 8 -6.852 -5.229 -7.453 1.00 0.00 C ATOM 99 O VAL A 8 -7.035 -5.466 -8.631 1.00 0.00 O ATOM 100 CB VAL A 8 -6.575 -7.100 -5.782 1.00 0.00 C ATOM 101 CG1 VAL A 8 -7.380 -8.284 -5.243 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.612 -7.605 -6.866 1.00 0.00 C ATOM 0 HA VAL A 8 -7.829 -5.370 -5.550 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.997 -6.640 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.699 -9.032 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.052 -7.940 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.964 -8.725 -6.051 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.942 -8.351 -6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.183 -8.054 -7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.027 -6.770 -7.251 1.00 0.00 H new ATOM 112 N LEU A 9 -6.116 -4.229 -7.066 1.00 0.00 N ATOM 113 CA LEU A 9 -5.492 -3.371 -8.057 1.00 0.00 C ATOM 114 C LEU A 9 -4.017 -3.737 -8.312 1.00 0.00 C ATOM 115 O LEU A 9 -3.596 -3.743 -9.452 1.00 0.00 O ATOM 116 CB LEU A 9 -5.571 -1.918 -7.587 1.00 0.00 C ATOM 117 CG LEU A 9 -4.870 -1.014 -8.603 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.299 -1.398 -10.022 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.255 0.443 -8.337 1.00 0.00 C ATOM 0 H LEU A 9 -5.929 -3.982 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.032 -3.509 -8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.613 -1.617 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.102 -1.815 -6.608 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.791 -1.134 -8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.797 -0.751 -10.741 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.028 -2.436 -10.216 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.378 -1.281 -10.120 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.757 1.089 -9.060 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.335 0.557 -8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.948 0.722 -7.329 1.00 0.00 H new ATOM 131 N LEU A 10 -3.206 -4.048 -7.327 1.00 0.00 N ATOM 132 CA LEU A 10 -1.836 -4.384 -7.677 1.00 0.00 C ATOM 133 C LEU A 10 -1.054 -4.861 -6.462 1.00 0.00 C ATOM 134 O LEU A 10 -1.394 -4.587 -5.333 1.00 0.00 O ATOM 135 CB LEU A 10 -1.140 -3.160 -8.268 1.00 0.00 C ATOM 136 CG LEU A 10 -0.037 -3.611 -9.227 1.00 0.00 C ATOM 137 CD1 LEU A 10 -0.417 -3.230 -10.659 1.00 0.00 C ATOM 138 CD2 LEU A 10 1.277 -2.924 -8.849 1.00 0.00 C ATOM 0 H LEU A 10 -3.444 -4.077 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.866 -5.191 -8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.863 -2.537 -8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.716 -2.550 -7.471 1.00 0.00 H new ATOM 0 HG LEU A 10 0.084 -4.692 -9.159 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.369 -3.552 -11.342 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.354 -3.718 -10.929 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.538 -2.149 -10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.064 -3.244 -9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.155 -1.843 -8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.549 -3.195 -7.829 1.00 0.00 H new ATOM 150 N ILE A 11 0.009 -5.571 -6.709 1.00 0.00 N ATOM 151 CA ILE A 11 0.830 -6.063 -5.624 1.00 0.00 C ATOM 152 C ILE A 11 2.312 -5.957 -5.998 1.00 0.00 C ATOM 153 O ILE A 11 2.705 -6.228 -7.115 1.00 0.00 O ATOM 154 CB ILE A 11 0.473 -7.524 -5.330 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.621 -8.194 -4.549 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.224 -8.268 -6.646 1.00 0.00 C ATOM 157 CD1 ILE A 11 2.705 -8.690 -5.513 1.00 0.00 C ATOM 0 H ILE A 11 0.332 -5.824 -7.643 1.00 0.00 H new ATOM 0 HA ILE A 11 0.645 -5.460 -4.735 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.433 -7.561 -4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.051 -7.484 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.234 -9.030 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.030 -9.307 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.599 -7.795 -7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.124 -8.232 -7.260 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.508 -9.160 -4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.274 -9.416 -6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.104 -7.847 -6.077 1.00 0.00 H new ATOM 169 N VAL A 12 3.138 -5.610 -5.053 1.00 0.00 N ATOM 170 CA VAL A 12 4.561 -5.538 -5.314 1.00 0.00 C ATOM 171 C VAL A 12 5.250 -6.447 -4.298 1.00 0.00 C ATOM 172 O VAL A 12 5.025 -6.340 -3.101 1.00 0.00 O ATOM 173 CB VAL A 12 5.067 -4.104 -5.162 1.00 0.00 C ATOM 174 CG1 VAL A 12 4.866 -3.348 -6.476 1.00 0.00 C ATOM 175 CG2 VAL A 12 4.294 -3.398 -4.050 1.00 0.00 C ATOM 0 H VAL A 12 2.862 -5.373 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 12 4.777 -5.855 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 12 6.127 -4.124 -4.910 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.227 -2.325 -6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.421 -3.846 -7.271 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.806 -3.333 -6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.659 -2.376 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.233 -3.381 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.438 -3.932 -3.111 1.00 0.00 H new ATOM 185 N LYS A 13 6.058 -7.364 -4.748 1.00 0.00 N ATOM 186 CA LYS A 13 6.673 -8.245 -3.785 1.00 0.00 C ATOM 187 C LYS A 13 7.573 -7.432 -2.872 1.00 0.00 C ATOM 188 O LYS A 13 7.209 -7.088 -1.793 1.00 0.00 O ATOM 189 CB LYS A 13 7.503 -9.303 -4.515 1.00 0.00 C ATOM 190 CG LYS A 13 8.246 -10.166 -3.495 1.00 0.00 C ATOM 191 CD LYS A 13 9.491 -10.769 -4.148 1.00 0.00 C ATOM 192 CE LYS A 13 9.913 -12.025 -3.383 1.00 0.00 C ATOM 193 NZ LYS A 13 11.172 -12.564 -3.969 1.00 0.00 N ATOM 0 H LYS A 13 6.301 -7.522 -5.726 1.00 0.00 H new ATOM 0 HA LYS A 13 5.902 -8.740 -3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.855 -9.927 -5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.214 -8.822 -5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.530 -9.564 -2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.594 -10.959 -3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.284 -11.017 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.303 -10.041 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.062 -11.789 -2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.125 -12.776 -3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.459 -13.418 -3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.015 -12.804 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.922 -11.847 -3.899 1.00 0.00 H new ATOM 207 N LYS A 14 8.748 -7.144 -3.265 1.00 0.00 N ATOM 208 CA LYS A 14 9.628 -6.429 -2.371 1.00 0.00 C ATOM 209 C LYS A 14 8.953 -5.195 -1.759 1.00 0.00 C ATOM 210 O LYS A 14 8.581 -4.266 -2.444 1.00 0.00 O ATOM 211 CB LYS A 14 10.878 -5.981 -3.136 1.00 0.00 C ATOM 212 CG LYS A 14 12.107 -6.696 -2.568 1.00 0.00 C ATOM 213 CD LYS A 14 11.877 -8.208 -2.592 1.00 0.00 C ATOM 214 CE LYS A 14 13.226 -8.928 -2.552 1.00 0.00 C ATOM 215 NZ LYS A 14 14.093 -8.417 -3.650 1.00 0.00 N ATOM 0 H LYS A 14 9.139 -7.377 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 14 9.892 -7.108 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.769 -6.208 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.001 -4.901 -3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.991 -6.443 -3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.295 -6.363 -1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.267 -8.508 -1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.329 -8.489 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.708 -8.766 -1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.080 -10.003 -2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.680 -9.193 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.498 -8.039 -4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.708 -7.662 -3.284 1.00 0.00 H new ATOM 229 N VAL A 15 8.935 -5.148 -0.443 1.00 0.00 N ATOM 230 CA VAL A 15 8.455 -3.963 0.221 1.00 0.00 C ATOM 231 C VAL A 15 9.179 -3.836 1.546 1.00 0.00 C ATOM 232 O VAL A 15 9.538 -4.810 2.178 1.00 0.00 O ATOM 233 CB VAL A 15 6.935 -3.940 0.378 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.534 -2.883 1.408 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.337 -3.553 -0.963 1.00 0.00 C ATOM 0 H VAL A 15 9.241 -5.901 0.173 1.00 0.00 H new ATOM 0 HA VAL A 15 8.675 -3.094 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 15 6.580 -4.917 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.449 -2.872 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.991 -3.120 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.876 -1.903 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.250 -3.528 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.702 -2.568 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.629 -4.285 -1.716 1.00 0.00 H new ATOM 245 N ARG A 16 9.419 -2.635 1.948 1.00 0.00 N ATOM 246 CA ARG A 16 10.127 -2.395 3.173 1.00 0.00 C ATOM 247 C ARG A 16 9.264 -1.553 4.067 1.00 0.00 C ATOM 248 O ARG A 16 8.689 -0.574 3.654 1.00 0.00 O ATOM 249 CB ARG A 16 11.406 -1.623 2.857 1.00 0.00 C ATOM 250 CG ARG A 16 12.163 -1.315 4.149 1.00 0.00 C ATOM 251 CD ARG A 16 13.050 -2.502 4.530 1.00 0.00 C ATOM 252 NE ARG A 16 13.962 -2.813 3.443 1.00 0.00 N ATOM 253 CZ ARG A 16 15.042 -3.514 3.670 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.324 -3.924 4.878 1.00 0.00 N ATOM 255 NH2 ARG A 16 15.844 -3.805 2.683 1.00 0.00 N ATOM 0 H ARG A 16 9.136 -1.793 1.447 1.00 0.00 H new ATOM 0 HA ARG A 16 10.369 -3.339 3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.037 -2.207 2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.162 -0.696 2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.773 -0.421 4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.457 -1.105 4.953 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.614 -2.269 5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.431 -3.371 4.756 1.00 0.00 H new ATOM 0 HE ARG A 16 13.759 -2.483 2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 16 14.700 -3.698 5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.169 -4.470 5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.627 -3.486 1.739 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.688 -4.352 2.856 1.00 0.00 H new ATOM 269 N GLN A 17 9.180 -1.912 5.290 1.00 0.00 N ATOM 270 CA GLN A 17 8.395 -1.137 6.189 1.00 0.00 C ATOM 271 C GLN A 17 9.170 -1.070 7.498 1.00 0.00 C ATOM 272 O GLN A 17 9.787 -2.035 7.903 1.00 0.00 O ATOM 273 CB GLN A 17 7.011 -1.783 6.342 1.00 0.00 C ATOM 274 CG GLN A 17 7.154 -3.272 6.628 1.00 0.00 C ATOM 275 CD GLN A 17 5.796 -3.863 7.023 1.00 0.00 C ATOM 276 OE1 GLN A 17 4.746 -3.089 7.118 1.00 0.00 O flip ATOM 277 NE2 GLN A 17 5.686 -5.050 7.244 1.00 0.00 N flip ATOM 0 H GLN A 17 9.637 -2.728 5.696 1.00 0.00 H new ATOM 0 HA GLN A 17 8.220 -0.123 5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.464 -1.301 7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.430 -1.634 5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.540 -3.784 5.747 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.875 -3.429 7.430 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.500 -5.660 7.172 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.779 -5.439 7.502 1.00 0.00 H new ATOM 286 N LYS A 18 9.255 0.098 8.076 1.00 0.00 N ATOM 287 CA LYS A 18 10.090 0.291 9.258 1.00 0.00 C ATOM 288 C LYS A 18 10.066 -0.941 10.172 1.00 0.00 C ATOM 289 O LYS A 18 10.994 -1.165 10.924 1.00 0.00 O ATOM 290 CB LYS A 18 9.584 1.505 10.037 1.00 0.00 C ATOM 291 CG LYS A 18 9.976 2.787 9.299 1.00 0.00 C ATOM 292 CD LYS A 18 9.116 3.948 9.798 1.00 0.00 C ATOM 293 CE LYS A 18 9.963 4.872 10.675 1.00 0.00 C ATOM 294 NZ LYS A 18 10.430 6.034 9.867 1.00 0.00 N ATOM 0 H LYS A 18 8.764 0.934 7.759 1.00 0.00 H new ATOM 0 HA LYS A 18 11.117 0.449 8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.501 1.453 10.147 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.007 1.508 11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.031 3.005 9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.841 2.656 8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.710 4.503 8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.267 3.567 10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.378 5.219 11.527 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.818 4.327 11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.006 6.662 10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.003 5.694 9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.608 6.558 9.505 1.00 0.00 H new ATOM 308 N LYS A 19 9.062 -1.764 10.104 1.00 0.00 N ATOM 309 CA LYS A 19 9.068 -2.944 10.933 1.00 0.00 C ATOM 310 C LYS A 19 9.892 -4.062 10.258 1.00 0.00 C ATOM 311 O LYS A 19 10.729 -4.700 10.866 1.00 0.00 O ATOM 312 CB LYS A 19 7.612 -3.435 11.150 1.00 0.00 C ATOM 313 CG LYS A 19 6.979 -3.960 9.833 1.00 0.00 C ATOM 314 CD LYS A 19 5.505 -4.301 10.059 1.00 0.00 C ATOM 315 CE LYS A 19 5.353 -5.087 11.363 1.00 0.00 C ATOM 316 NZ LYS A 19 4.936 -4.162 12.455 1.00 0.00 N ATOM 0 H LYS A 19 8.246 -1.651 9.502 1.00 0.00 H new ATOM 0 HA LYS A 19 9.519 -2.699 11.895 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.603 -4.227 11.899 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.007 -2.618 11.543 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.070 -3.207 9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.516 -4.844 9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.913 -3.387 10.103 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.125 -4.888 9.223 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.613 -5.878 11.239 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.296 -5.570 11.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.566 -4.284 13.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.992 -3.180 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.958 -4.376 12.737 1.00 0.00 H new ATOM 330 N GLN A 20 9.558 -4.358 9.039 1.00 0.00 N ATOM 331 CA GLN A 20 10.157 -5.461 8.329 1.00 0.00 C ATOM 332 C GLN A 20 10.164 -5.205 6.830 1.00 0.00 C ATOM 333 O GLN A 20 9.473 -4.339 6.331 1.00 0.00 O ATOM 334 CB GLN A 20 9.361 -6.732 8.600 1.00 0.00 C ATOM 335 CG GLN A 20 10.315 -7.837 9.036 1.00 0.00 C ATOM 336 CD GLN A 20 10.205 -9.019 8.071 1.00 0.00 C ATOM 337 OE1 GLN A 20 10.861 -9.047 7.049 1.00 0.00 O ATOM 338 NE2 GLN A 20 9.397 -10.003 8.355 1.00 0.00 N ATOM 0 H GLN A 20 8.861 -3.843 8.501 1.00 0.00 H new ATOM 0 HA GLN A 20 11.184 -5.570 8.676 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.617 -6.551 9.375 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.820 -7.035 7.703 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.338 -7.462 9.053 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.076 -8.159 10.050 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.846 -9.979 9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.316 -10.796 7.719 1.00 0.00 H new ATOM 347 N ASP A 21 10.874 -6.011 6.101 1.00 0.00 N ATOM 348 CA ASP A 21 10.842 -5.878 4.671 1.00 0.00 C ATOM 349 C ASP A 21 9.993 -7.081 4.320 1.00 0.00 C ATOM 350 O ASP A 21 10.171 -8.165 4.840 1.00 0.00 O ATOM 351 CB ASP A 21 12.236 -5.994 4.035 1.00 0.00 C ATOM 352 CG ASP A 21 13.313 -5.662 5.071 1.00 0.00 C ATOM 353 OD1 ASP A 21 13.022 -4.908 5.984 1.00 0.00 O ATOM 354 OD2 ASP A 21 14.412 -6.173 4.934 1.00 0.00 O ATOM 0 H ASP A 21 11.473 -6.755 6.460 1.00 0.00 H new ATOM 0 HA ASP A 21 10.473 -4.914 4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.387 -7.003 3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.315 -5.315 3.186 1.00 0.00 H new ATOM 359 N GLY A 22 9.015 -6.867 3.508 1.00 0.00 N ATOM 360 CA GLY A 22 8.093 -7.920 3.189 1.00 0.00 C ATOM 361 C GLY A 22 7.344 -7.563 1.929 1.00 0.00 C ATOM 362 O GLY A 22 7.448 -6.450 1.444 1.00 0.00 O ATOM 0 H GLY A 22 8.827 -5.975 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.629 -8.859 3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.394 -8.068 4.012 1.00 0.00 H new ATOM 366 N ALA A 23 6.665 -8.493 1.333 1.00 0.00 N ATOM 367 CA ALA A 23 5.983 -8.174 0.117 1.00 0.00 C ATOM 368 C ALA A 23 4.604 -7.573 0.405 1.00 0.00 C ATOM 369 O ALA A 23 3.887 -7.968 1.302 1.00 0.00 O ATOM 370 CB ALA A 23 5.840 -9.425 -0.751 1.00 0.00 C ATOM 0 H ALA A 23 6.568 -9.455 1.657 1.00 0.00 H new ATOM 0 HA ALA A 23 6.574 -7.433 -0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.319 -9.170 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.829 -9.818 -0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.270 -10.180 -0.210 1.00 0.00 H new ATOM 376 N LEU A 24 4.309 -6.547 -0.335 1.00 0.00 N ATOM 377 CA LEU A 24 3.077 -5.808 -0.122 1.00 0.00 C ATOM 378 C LEU A 24 2.088 -6.064 -1.260 1.00 0.00 C ATOM 379 O LEU A 24 2.419 -6.014 -2.427 1.00 0.00 O ATOM 380 CB LEU A 24 3.402 -4.317 -0.069 1.00 0.00 C ATOM 381 CG LEU A 24 3.056 -3.729 1.289 1.00 0.00 C ATOM 382 CD1 LEU A 24 3.075 -2.206 1.165 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.665 -4.183 1.724 1.00 0.00 C ATOM 0 H LEU A 24 4.895 -6.195 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 24 2.624 -6.136 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.462 -4.165 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.848 -3.793 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 24 3.779 -4.065 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.829 -1.759 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.068 -1.878 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.342 -1.892 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.430 -3.754 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.928 -3.849 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.642 -5.271 1.791 1.00 0.00 H new ATOM 395 N TYR A 25 0.861 -6.323 -0.895 1.00 0.00 N ATOM 396 CA TYR A 25 -0.190 -6.571 -1.863 1.00 0.00 C ATOM 397 C TYR A 25 -1.188 -5.429 -1.756 1.00 0.00 C ATOM 398 O TYR A 25 -1.514 -5.005 -0.665 1.00 0.00 O ATOM 399 CB TYR A 25 -0.921 -7.859 -1.486 1.00 0.00 C ATOM 400 CG TYR A 25 -0.340 -9.033 -2.221 1.00 0.00 C ATOM 401 CD1 TYR A 25 0.812 -9.657 -1.740 1.00 0.00 C ATOM 402 CD2 TYR A 25 -0.970 -9.507 -3.372 1.00 0.00 C ATOM 403 CE1 TYR A 25 1.341 -10.762 -2.411 1.00 0.00 C ATOM 404 CE2 TYR A 25 -0.444 -10.613 -4.051 1.00 0.00 C ATOM 405 CZ TYR A 25 0.713 -11.243 -3.570 1.00 0.00 C ATOM 406 OH TYR A 25 1.232 -12.335 -4.235 1.00 0.00 O ATOM 0 H TYR A 25 0.556 -6.369 0.077 1.00 0.00 H new ATOM 0 HA TYR A 25 0.228 -6.652 -2.866 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.847 -8.024 -0.411 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.981 -7.764 -1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.295 -9.285 -0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.862 -9.022 -3.739 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.232 -11.245 -2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.929 -10.980 -4.944 1.00 0.00 H new ATOM 0 HH TYR A 25 0.676 -12.537 -5.016 1.00 0.00 H new ATOM 416 N LEU A 26 -1.700 -4.915 -2.836 1.00 0.00 N ATOM 417 CA LEU A 26 -2.656 -3.840 -2.708 1.00 0.00 C ATOM 418 C LEU A 26 -3.986 -4.314 -3.274 1.00 0.00 C ATOM 419 O LEU A 26 -4.049 -4.892 -4.351 1.00 0.00 O ATOM 420 CB LEU A 26 -2.169 -2.612 -3.480 1.00 0.00 C ATOM 421 CG LEU A 26 -1.712 -1.541 -2.490 1.00 0.00 C ATOM 422 CD1 LEU A 26 -0.779 -2.173 -1.458 1.00 0.00 C ATOM 423 CD2 LEU A 26 -0.967 -0.435 -3.242 1.00 0.00 C ATOM 0 H LEU A 26 -1.485 -5.207 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.771 -3.565 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.347 -2.886 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.969 -2.223 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.580 -1.115 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.451 -1.412 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.309 -2.962 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.089 -2.597 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.641 0.329 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.098 -0.859 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.631 0.013 -3.981 1.00 0.00 H new ATOM 435 N MET A 27 -5.053 -4.033 -2.582 1.00 0.00 N ATOM 436 CA MET A 27 -6.355 -4.421 -3.054 1.00 0.00 C ATOM 437 C MET A 27 -7.228 -3.173 -3.081 1.00 0.00 C ATOM 438 O MET A 27 -7.105 -2.317 -2.226 1.00 0.00 O ATOM 439 CB MET A 27 -6.953 -5.454 -2.097 1.00 0.00 C ATOM 440 CG MET A 27 -8.115 -6.174 -2.778 1.00 0.00 C ATOM 441 SD MET A 27 -8.279 -7.843 -2.095 1.00 0.00 S ATOM 442 CE MET A 27 -6.584 -8.394 -2.410 1.00 0.00 C ATOM 0 H MET A 27 -5.049 -3.538 -1.690 1.00 0.00 H new ATOM 0 HA MET A 27 -6.293 -4.861 -4.049 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.190 -6.174 -1.800 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.299 -4.964 -1.187 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.040 -5.616 -2.628 1.00 0.00 H new ATOM 0 HG3 MET A 27 -7.944 -6.225 -3.853 1.00 0.00 H new ATOM 0 HE1 MET A 27 -6.598 -9.418 -2.783 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.122 -7.743 -3.153 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.010 -8.353 -1.484 1.00 0.00 H new ATOM 452 N ALA A 28 -8.096 -3.045 -4.049 1.00 0.00 N ATOM 453 CA ALA A 28 -8.930 -1.856 -4.110 1.00 0.00 C ATOM 454 C ALA A 28 -9.444 -1.530 -2.706 1.00 0.00 C ATOM 455 O ALA A 28 -9.304 -0.426 -2.219 1.00 0.00 O ATOM 456 CB ALA A 28 -10.118 -2.122 -5.040 1.00 0.00 C ATOM 0 H ALA A 28 -8.249 -3.726 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.350 -1.015 -4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.747 -1.233 -5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.752 -2.364 -6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.701 -2.959 -4.655 1.00 0.00 H new ATOM 462 N GLU A 29 -10.123 -2.457 -2.101 1.00 0.00 N ATOM 463 CA GLU A 29 -10.727 -2.172 -0.818 1.00 0.00 C ATOM 464 C GLU A 29 -9.760 -2.386 0.351 1.00 0.00 C ATOM 465 O GLU A 29 -10.097 -2.065 1.469 1.00 0.00 O ATOM 466 CB GLU A 29 -11.944 -3.081 -0.631 1.00 0.00 C ATOM 467 CG GLU A 29 -12.466 -2.966 0.805 1.00 0.00 C ATOM 468 CD GLU A 29 -13.994 -3.047 0.799 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.585 -2.634 -0.185 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.546 -3.520 1.778 1.00 0.00 O ATOM 0 H GLU A 29 -10.276 -3.400 -2.458 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.014 -1.120 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.728 -2.803 -1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.673 -4.115 -0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.051 -3.765 1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.143 -2.023 1.247 1.00 0.00 H new ATOM 477 N ARG A 30 -8.572 -2.898 0.161 1.00 0.00 N ATOM 478 CA ARG A 30 -7.711 -3.048 1.327 1.00 0.00 C ATOM 479 C ARG A 30 -6.253 -3.277 0.928 1.00 0.00 C ATOM 480 O ARG A 30 -5.935 -3.592 -0.200 1.00 0.00 O ATOM 481 CB ARG A 30 -8.183 -4.226 2.183 1.00 0.00 C ATOM 482 CG ARG A 30 -7.743 -5.548 1.563 1.00 0.00 C ATOM 483 CD ARG A 30 -8.979 -6.364 1.196 1.00 0.00 C ATOM 484 NE ARG A 30 -9.553 -5.824 -0.024 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.494 -6.479 -0.653 1.00 0.00 C ATOM 486 NH1 ARG A 30 -10.914 -7.627 -0.193 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.020 -5.984 -1.740 1.00 0.00 N ATOM 0 H ARG A 30 -8.185 -3.205 -0.731 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.773 -2.121 1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.776 -4.137 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.269 -4.204 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.137 -5.364 0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.121 -6.103 2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.711 -7.411 1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.709 -6.327 2.005 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.221 -4.932 -0.391 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.508 -8.015 0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.648 -8.136 -0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.697 -5.086 -2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.754 -6.495 -2.230 1.00 0.00 H new ATOM 501 N ILE A 31 -5.373 -3.121 1.877 1.00 0.00 N ATOM 502 CA ILE A 31 -3.956 -3.322 1.616 1.00 0.00 C ATOM 503 C ILE A 31 -3.515 -4.613 2.318 1.00 0.00 C ATOM 504 O ILE A 31 -3.879 -4.864 3.445 1.00 0.00 O ATOM 505 CB ILE A 31 -3.159 -2.108 2.136 1.00 0.00 C ATOM 506 CG1 ILE A 31 -2.885 -1.161 0.966 1.00 0.00 C ATOM 507 CG2 ILE A 31 -1.821 -2.549 2.746 1.00 0.00 C ATOM 508 CD1 ILE A 31 -1.867 -0.102 1.390 1.00 0.00 C ATOM 0 H ILE A 31 -5.599 -2.857 2.836 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.769 -3.414 0.546 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.744 -1.609 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.506 -1.722 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.811 -0.683 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.279 -1.674 3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.007 -3.228 3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.226 -3.059 1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.673 0.571 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.263 0.467 2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.938 -0.589 1.687 1.00 0.00 H new ATOM 520 N ALA A 32 -2.755 -5.444 1.652 1.00 0.00 N ATOM 521 CA ALA A 32 -2.339 -6.694 2.268 1.00 0.00 C ATOM 522 C ALA A 32 -0.819 -6.800 2.333 1.00 0.00 C ATOM 523 O ALA A 32 -0.108 -6.322 1.474 1.00 0.00 O ATOM 524 CB ALA A 32 -2.896 -7.866 1.460 1.00 0.00 C ATOM 0 H ALA A 32 -2.414 -5.291 0.703 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.727 -6.720 3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.586 -8.805 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.985 -7.812 1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.515 -7.818 0.440 1.00 0.00 H new ATOM 530 N TRP A 33 -0.324 -7.435 3.361 1.00 0.00 N ATOM 531 CA TRP A 33 1.115 -7.577 3.485 1.00 0.00 C ATOM 532 C TRP A 33 1.504 -9.033 3.673 1.00 0.00 C ATOM 533 O TRP A 33 0.836 -9.791 4.337 1.00 0.00 O ATOM 534 CB TRP A 33 1.624 -6.787 4.676 1.00 0.00 C ATOM 535 CG TRP A 33 3.109 -6.832 4.688 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.892 -6.596 3.616 1.00 0.00 C ATOM 537 CD2 TRP A 33 4.016 -7.135 5.791 1.00 0.00 C ATOM 538 NE1 TRP A 33 5.209 -6.656 4.021 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.338 -7.005 5.322 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.834 -7.489 7.134 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.441 -7.206 6.131 1.00 0.00 C ATOM 542 CZ3 TRP A 33 4.947 -7.711 7.963 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.252 -7.565 7.461 1.00 0.00 C ATOM 0 H TRP A 33 -0.873 -7.855 4.111 1.00 0.00 H new ATOM 0 HA TRP A 33 1.561 -7.197 2.566 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.279 -5.755 4.618 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.227 -7.204 5.602 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.547 -6.395 2.613 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.999 -6.459 3.407 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.836 -7.592 7.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.438 -7.086 5.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.799 -7.996 8.994 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.103 -7.731 8.105 1.00 0.00 H new ATOM 554 N ALA A 34 2.602 -9.410 3.095 1.00 0.00 N ATOM 555 CA ALA A 34 3.074 -10.773 3.225 1.00 0.00 C ATOM 556 C ALA A 34 4.600 -10.811 3.121 1.00 0.00 C ATOM 557 O ALA A 34 5.161 -10.408 2.123 1.00 0.00 O ATOM 558 CB ALA A 34 2.459 -11.639 2.135 1.00 0.00 C ATOM 0 H ALA A 34 3.194 -8.803 2.528 1.00 0.00 H new ATOM 0 HA ALA A 34 2.776 -11.160 4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.818 -12.663 2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.373 -11.624 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.745 -11.251 1.157 1.00 0.00 H new ATOM 564 N PRO A 35 5.223 -11.303 4.159 1.00 0.00 N ATOM 565 CA PRO A 35 6.700 -11.378 4.135 1.00 0.00 C ATOM 566 C PRO A 35 7.158 -12.528 3.232 1.00 0.00 C ATOM 567 O PRO A 35 8.112 -12.403 2.489 1.00 0.00 O ATOM 568 CB PRO A 35 7.127 -11.636 5.584 1.00 0.00 C ATOM 569 CG PRO A 35 5.846 -11.716 6.441 1.00 0.00 C ATOM 570 CD PRO A 35 4.649 -11.499 5.508 1.00 0.00 C ATOM 0 HA PRO A 35 7.144 -10.463 3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.695 -12.564 5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.776 -10.836 5.940 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.776 -12.685 6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.862 -10.959 7.225 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.977 -12.357 5.527 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.066 -10.631 5.815 1.00 0.00 H new ATOM 678 N THR A 42 -0.168 -11.720 5.257 1.00 0.00 N ATOM 679 CA THR A 42 0.151 -11.463 6.645 1.00 0.00 C ATOM 680 C THR A 42 -0.642 -10.233 7.119 1.00 0.00 C ATOM 681 O THR A 42 -0.726 -9.950 8.298 1.00 0.00 O ATOM 682 CB THR A 42 1.679 -11.226 6.774 1.00 0.00 C ATOM 683 OG1 THR A 42 2.177 -11.983 7.866 1.00 0.00 O ATOM 684 CG2 THR A 42 2.011 -9.743 6.999 1.00 0.00 C ATOM 0 HA THR A 42 -0.122 -12.314 7.269 1.00 0.00 H new ATOM 0 HB THR A 42 2.147 -11.539 5.841 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.143 -11.838 7.951 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.091 -9.621 7.084 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.645 -9.156 6.157 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.534 -9.398 7.916 1.00 0.00 H new ATOM 692 N ILE A 43 -1.217 -9.500 6.201 1.00 0.00 N ATOM 693 CA ILE A 43 -1.970 -8.325 6.606 1.00 0.00 C ATOM 694 C ILE A 43 -3.084 -8.002 5.623 1.00 0.00 C ATOM 695 O ILE A 43 -3.039 -8.376 4.467 1.00 0.00 O ATOM 696 CB ILE A 43 -1.011 -7.134 6.738 1.00 0.00 C ATOM 697 CG1 ILE A 43 -1.198 -6.494 8.110 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.260 -6.059 5.653 1.00 0.00 C ATOM 699 CD1 ILE A 43 -0.461 -5.160 8.130 1.00 0.00 C ATOM 0 H ILE A 43 -1.186 -9.681 5.198 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.440 -8.531 7.568 1.00 0.00 H new ATOM 0 HB ILE A 43 0.004 -7.512 6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.258 -6.344 8.316 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.812 -7.151 8.889 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.557 -5.237 5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.119 -6.499 4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.279 -5.683 5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.586 -4.690 9.106 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.599 -5.327 7.941 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.869 -4.507 7.358 1.00 0.00 H new ATOM 711 N SER A 44 -4.057 -7.263 6.086 1.00 0.00 N ATOM 712 CA SER A 44 -5.146 -6.863 5.226 1.00 0.00 C ATOM 713 C SER A 44 -5.983 -5.768 5.910 1.00 0.00 C ATOM 714 O SER A 44 -6.792 -6.047 6.772 1.00 0.00 O ATOM 715 CB SER A 44 -6.031 -8.072 4.925 1.00 0.00 C ATOM 716 OG SER A 44 -7.376 -7.642 4.763 1.00 0.00 O ATOM 0 H SER A 44 -4.121 -6.926 7.047 1.00 0.00 H new ATOM 0 HA SER A 44 -4.738 -6.469 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.686 -8.573 4.021 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.964 -8.797 5.736 1.00 0.00 H new ATOM 0 HG SER A 44 -7.946 -8.415 4.569 1.00 0.00 H new ATOM 722 N HIS A 45 -5.811 -4.524 5.522 1.00 0.00 N ATOM 723 CA HIS A 45 -6.601 -3.458 6.131 1.00 0.00 C ATOM 724 C HIS A 45 -7.599 -2.926 5.112 1.00 0.00 C ATOM 725 O HIS A 45 -7.224 -2.441 4.061 1.00 0.00 O ATOM 726 CB HIS A 45 -5.738 -2.272 6.550 1.00 0.00 C ATOM 727 CG HIS A 45 -4.285 -2.627 6.569 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.424 -2.975 5.568 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -3.529 -2.589 7.729 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -2.145 -3.150 6.088 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -2.266 -2.904 7.396 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.150 -4.222 4.806 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.088 -3.886 7.007 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.901 -1.442 5.863 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.043 -1.931 7.540 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.680 -3.089 4.587 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.889 -2.350 8.719 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.249 -3.425 5.551 1.00 0.00 H new ATOM 739 N MET A 46 -8.858 -2.986 5.419 1.00 0.00 N ATOM 740 CA MET A 46 -9.842 -2.482 4.491 1.00 0.00 C ATOM 741 C MET A 46 -9.750 -0.957 4.416 1.00 0.00 C ATOM 742 O MET A 46 -9.915 -0.263 5.390 1.00 0.00 O ATOM 743 CB MET A 46 -11.243 -2.886 4.946 1.00 0.00 C ATOM 744 CG MET A 46 -11.866 -3.828 3.914 1.00 0.00 C ATOM 745 SD MET A 46 -12.651 -5.220 4.764 1.00 0.00 S ATOM 746 CE MET A 46 -14.359 -4.835 4.306 1.00 0.00 C ATOM 0 H MET A 46 -9.231 -3.370 6.287 1.00 0.00 H new ATOM 0 HA MET A 46 -9.648 -2.906 3.506 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.193 -3.377 5.918 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.866 -2.000 5.068 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.602 -3.292 3.314 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.100 -4.192 3.229 1.00 0.00 H new ATOM 0 HE1 MET A 46 -15.033 -5.185 5.088 1.00 0.00 H new ATOM 0 HE2 MET A 46 -14.470 -3.757 4.187 1.00 0.00 H new ATOM 0 HE3 MET A 46 -14.604 -5.330 3.367 1.00 0.00 H new ATOM 756 N TYR A 47 -9.444 -0.449 3.263 1.00 0.00 N ATOM 757 CA TYR A 47 -9.313 0.985 3.095 1.00 0.00 C ATOM 758 C TYR A 47 -10.428 1.728 3.880 1.00 0.00 C ATOM 759 O TYR A 47 -10.151 2.666 4.592 1.00 0.00 O ATOM 760 CB TYR A 47 -9.367 1.314 1.596 1.00 0.00 C ATOM 761 CG TYR A 47 -7.986 1.136 0.966 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.843 0.878 1.754 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.844 1.241 -0.425 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.592 0.732 1.146 1.00 0.00 C ATOM 765 CE2 TYR A 47 -6.596 1.098 -1.021 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.468 0.845 -0.241 1.00 0.00 C ATOM 767 OH TYR A 47 -4.231 0.706 -0.839 1.00 0.00 O ATOM 0 H TYR A 47 -9.278 -0.996 2.418 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.357 1.321 3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.088 0.664 1.099 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.710 2.339 1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.935 0.793 2.827 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.711 1.435 -1.039 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.720 0.531 1.750 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.500 1.183 -2.093 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.347 0.572 -1.803 1.00 0.00 H new ATOM 777 N ALA A 48 -11.670 1.304 3.805 1.00 0.00 N ATOM 778 CA ALA A 48 -12.719 1.982 4.583 1.00 0.00 C ATOM 779 C ALA A 48 -12.483 1.682 6.075 1.00 0.00 C ATOM 780 O ALA A 48 -12.685 2.502 6.948 1.00 0.00 O ATOM 781 CB ALA A 48 -14.093 1.467 4.150 1.00 0.00 C ATOM 0 H ALA A 48 -11.987 0.519 3.236 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.684 3.058 4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.869 1.970 4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.240 1.671 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.150 0.393 4.324 1.00 0.00 H new ATOM 787 N ASP A 49 -11.997 0.503 6.320 1.00 0.00 N ATOM 788 CA ASP A 49 -11.645 0.039 7.659 1.00 0.00 C ATOM 789 C ASP A 49 -10.438 0.841 8.181 1.00 0.00 C ATOM 790 O ASP A 49 -10.019 0.695 9.313 1.00 0.00 O ATOM 791 CB ASP A 49 -11.295 -1.450 7.617 1.00 0.00 C ATOM 792 CG ASP A 49 -12.571 -2.265 7.398 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.478 -1.751 6.764 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.621 -3.390 7.869 1.00 0.00 O ATOM 0 H ASP A 49 -11.825 -0.189 5.591 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.494 0.187 8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.583 -1.645 6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.815 -1.749 8.549 1.00 0.00 H new ATOM 799 N ILE A 50 -9.898 1.698 7.358 1.00 0.00 N ATOM 800 CA ILE A 50 -8.774 2.504 7.778 1.00 0.00 C ATOM 801 C ILE A 50 -8.959 3.937 7.253 1.00 0.00 C ATOM 802 O ILE A 50 -9.305 4.120 6.107 1.00 0.00 O ATOM 803 CB ILE A 50 -7.500 1.906 7.188 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.578 1.952 5.662 1.00 0.00 C ATOM 805 CG2 ILE A 50 -7.363 0.452 7.636 1.00 0.00 C ATOM 806 CD1 ILE A 50 -6.268 1.430 5.069 1.00 0.00 C ATOM 0 H ILE A 50 -10.211 1.859 6.401 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.707 2.522 8.866 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.639 2.479 7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.415 1.348 5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.760 2.973 5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.453 0.026 7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.313 0.410 8.724 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.225 -0.118 7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.323 1.462 3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.441 2.053 5.409 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.106 0.402 5.394 1.00 0.00 H new ATOM 818 N LYS A 51 -8.715 4.976 8.027 1.00 0.00 N ATOM 819 CA LYS A 51 -8.885 6.282 7.422 1.00 0.00 C ATOM 820 C LYS A 51 -7.824 7.281 7.864 1.00 0.00 C ATOM 821 O LYS A 51 -7.894 7.895 8.910 1.00 0.00 O ATOM 822 CB LYS A 51 -10.247 6.863 7.767 1.00 0.00 C ATOM 823 CG LYS A 51 -10.575 7.930 6.722 1.00 0.00 C ATOM 824 CD LYS A 51 -9.625 9.121 6.891 1.00 0.00 C ATOM 825 CE LYS A 51 -10.244 10.369 6.261 1.00 0.00 C ATOM 826 NZ LYS A 51 -9.647 11.586 6.880 1.00 0.00 N ATOM 0 H LYS A 51 -8.420 4.953 9.003 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.791 6.124 6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.007 6.082 7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.236 7.297 8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.478 7.514 5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.609 8.257 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.430 9.295 7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.666 8.903 6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.068 10.372 5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.324 10.366 6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.068 12.435 6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.836 11.584 7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.620 11.589 6.718 1.00 0.00 H new ATOM 840 N CYS A 52 -6.907 7.498 6.985 1.00 0.00 N ATOM 841 CA CYS A 52 -5.869 8.485 7.153 1.00 0.00 C ATOM 842 C CYS A 52 -4.925 8.271 5.994 1.00 0.00 C ATOM 843 O CYS A 52 -4.589 7.143 5.698 1.00 0.00 O ATOM 844 CB CYS A 52 -5.140 8.343 8.474 1.00 0.00 C ATOM 845 SG CYS A 52 -4.237 9.871 8.828 1.00 0.00 S ATOM 0 H CYS A 52 -6.847 6.987 6.104 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.291 9.490 7.166 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.851 8.134 9.274 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.450 7.501 8.432 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.789 9.837 10.048 1.00 0.00 H new ATOM 851 N GLN A 53 -4.512 9.281 5.309 1.00 0.00 N ATOM 852 CA GLN A 53 -3.649 9.008 4.184 1.00 0.00 C ATOM 853 C GLN A 53 -2.588 10.083 4.014 1.00 0.00 C ATOM 854 O GLN A 53 -2.864 11.264 3.940 1.00 0.00 O ATOM 855 CB GLN A 53 -4.492 8.931 2.913 1.00 0.00 C ATOM 856 CG GLN A 53 -5.751 8.105 3.182 1.00 0.00 C ATOM 857 CD GLN A 53 -6.796 8.978 3.881 1.00 0.00 C ATOM 858 OE1 GLN A 53 -6.525 10.109 4.230 1.00 0.00 O ATOM 859 NE2 GLN A 53 -7.989 8.496 4.099 1.00 0.00 N ATOM 0 H GLN A 53 -4.736 10.261 5.484 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.143 8.060 4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.766 9.934 2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.913 8.479 2.107 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.152 7.719 2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.507 7.243 3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.217 7.546 3.806 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.694 9.069 4.563 1.00 0.00 H new ATOM 868 N LYS A 54 -1.364 9.646 3.938 1.00 0.00 N ATOM 869 CA LYS A 54 -0.259 10.550 3.759 1.00 0.00 C ATOM 870 C LYS A 54 0.734 9.877 2.805 1.00 0.00 C ATOM 871 O LYS A 54 1.352 8.887 3.141 1.00 0.00 O ATOM 872 CB LYS A 54 0.391 10.803 5.131 1.00 0.00 C ATOM 873 CG LYS A 54 1.902 11.022 4.988 1.00 0.00 C ATOM 874 CD LYS A 54 2.372 12.042 6.028 1.00 0.00 C ATOM 875 CE LYS A 54 3.008 11.309 7.210 1.00 0.00 C ATOM 876 NZ LYS A 54 3.072 12.222 8.385 1.00 0.00 N ATOM 0 H LYS A 54 -1.102 8.662 3.997 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.579 11.505 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.065 11.676 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.203 9.955 5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.431 10.079 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.135 11.377 3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.092 12.727 5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.530 12.643 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.426 10.421 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.009 10.970 6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.504 11.724 9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.645 13.056 8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.111 12.525 8.642 1.00 0.00 H new ATOM 988 N LYS A 62 12.383 7.378 -1.134 1.00 0.00 N ATOM 989 CA LYS A 62 12.248 6.516 -2.294 1.00 0.00 C ATOM 990 C LYS A 62 10.924 5.763 -2.267 1.00 0.00 C ATOM 991 O LYS A 62 10.957 4.577 -2.381 1.00 0.00 O ATOM 992 CB LYS A 62 13.363 5.465 -2.358 1.00 0.00 C ATOM 993 CG LYS A 62 13.737 5.026 -0.942 1.00 0.00 C ATOM 994 CD LYS A 62 14.808 5.942 -0.359 1.00 0.00 C ATOM 995 CE LYS A 62 16.006 5.107 0.095 1.00 0.00 C ATOM 996 NZ LYS A 62 16.633 4.453 -1.089 1.00 0.00 N ATOM 0 HA LYS A 62 12.303 7.172 -3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.033 4.605 -2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.236 5.877 -2.864 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.852 5.042 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.100 3.998 -0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.122 6.672 -1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.402 6.502 0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.734 5.741 0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.686 4.353 0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.648 4.314 -0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.181 3.531 -1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.508 5.057 -1.926 1.00 0.00 H new ATOM 1010 N ILE A 63 9.792 6.427 -2.108 1.00 0.00 N ATOM 1011 CA ILE A 63 8.461 5.784 -2.088 1.00 0.00 C ATOM 1012 C ILE A 63 8.040 5.252 -0.715 1.00 0.00 C ATOM 1013 O ILE A 63 8.108 4.076 -0.418 1.00 0.00 O ATOM 1014 CB ILE A 63 8.234 4.748 -3.201 1.00 0.00 C ATOM 1015 CG1 ILE A 63 6.791 4.273 -3.154 1.00 0.00 C ATOM 1016 CG2 ILE A 63 9.082 3.504 -3.043 1.00 0.00 C ATOM 1017 CD1 ILE A 63 6.064 4.697 -4.431 1.00 0.00 C ATOM 0 H ILE A 63 9.756 7.439 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 63 7.787 6.611 -2.312 1.00 0.00 H new ATOM 0 HB ILE A 63 8.496 5.248 -4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.759 3.189 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.289 4.692 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.873 2.815 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.137 3.778 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.848 3.022 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.030 4.354 -4.392 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.083 5.783 -4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.560 4.256 -5.296 1.00 0.00 H new ATOM 1029 N GLN A 64 7.552 6.159 0.095 1.00 0.00 N ATOM 1030 CA GLN A 64 7.056 5.814 1.419 1.00 0.00 C ATOM 1031 C GLN A 64 5.624 6.346 1.557 1.00 0.00 C ATOM 1032 O GLN A 64 5.356 7.494 1.266 1.00 0.00 O ATOM 1033 CB GLN A 64 7.924 6.449 2.511 1.00 0.00 C ATOM 1034 CG GLN A 64 8.716 7.629 1.938 1.00 0.00 C ATOM 1035 CD GLN A 64 9.772 8.078 2.951 1.00 0.00 C ATOM 1036 OE1 GLN A 64 10.489 7.180 3.570 1.00 0.00 O flip ATOM 1037 NE2 GLN A 64 9.947 9.259 3.180 1.00 0.00 N flip ATOM 0 H GLN A 64 7.484 7.150 -0.135 1.00 0.00 H new ATOM 0 HA GLN A 64 7.085 4.731 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.295 6.789 3.334 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.609 5.706 2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.195 7.339 1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.043 8.455 1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.387 9.961 2.696 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.654 9.548 3.856 1.00 0.00 H new ATOM 1046 N LEU A 65 4.702 5.536 2.008 1.00 0.00 N ATOM 1047 CA LEU A 65 3.339 6.021 2.158 1.00 0.00 C ATOM 1048 C LEU A 65 2.846 5.743 3.589 1.00 0.00 C ATOM 1049 O LEU A 65 3.467 5.003 4.333 1.00 0.00 O ATOM 1050 CB LEU A 65 2.403 5.369 1.114 1.00 0.00 C ATOM 1051 CG LEU A 65 2.447 3.830 1.155 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.802 3.325 0.671 1.00 0.00 C ATOM 1053 CD2 LEU A 65 2.184 3.311 2.569 1.00 0.00 C ATOM 0 H LEU A 65 4.854 4.563 2.274 1.00 0.00 H new ATOM 0 HA LEU A 65 3.326 7.097 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.381 5.704 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.684 5.710 0.117 1.00 0.00 H new ATOM 0 HG LEU A 65 1.665 3.456 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.818 2.236 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.970 3.658 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.588 3.720 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.221 2.222 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.944 3.700 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.199 3.641 2.900 1.00 0.00 H new ATOM 1065 N GLN A 66 1.742 6.332 3.985 1.00 0.00 N ATOM 1066 CA GLN A 66 1.246 6.107 5.335 1.00 0.00 C ATOM 1067 C GLN A 66 -0.288 6.209 5.383 1.00 0.00 C ATOM 1068 O GLN A 66 -0.886 7.105 4.822 1.00 0.00 O ATOM 1069 CB GLN A 66 1.850 7.152 6.273 1.00 0.00 C ATOM 1070 CG GLN A 66 2.487 6.454 7.475 1.00 0.00 C ATOM 1071 CD GLN A 66 3.144 7.496 8.382 1.00 0.00 C ATOM 1072 OE1 GLN A 66 2.816 7.598 9.547 1.00 0.00 O ATOM 1073 NE2 GLN A 66 4.066 8.280 7.893 1.00 0.00 N ATOM 0 H GLN A 66 1.176 6.958 3.412 1.00 0.00 H new ATOM 0 HA GLN A 66 1.536 5.104 5.648 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.598 7.742 5.743 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.078 7.844 6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.730 5.899 8.030 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.229 5.731 7.137 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.342 8.195 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.511 8.978 8.489 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.918 5.279 6.057 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.361 5.277 6.164 1.00 0.00 C ATOM 1084 C LEU A 67 -2.707 4.991 7.615 1.00 0.00 C ATOM 1085 O LEU A 67 -1.957 4.340 8.316 1.00 0.00 O ATOM 1086 CB LEU A 67 -2.933 4.172 5.270 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.209 4.660 4.579 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.476 3.805 3.339 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -5.392 4.532 5.541 1.00 0.00 C ATOM 0 H LEU A 67 -0.455 4.510 6.542 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.778 6.234 5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.195 3.880 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.150 3.286 5.867 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.085 5.703 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.384 4.152 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.635 3.890 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.599 2.763 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.300 4.880 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.513 3.489 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.206 5.137 6.429 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.824 5.449 8.089 1.00 0.00 N ATOM 1102 CA VAL A 68 -4.143 5.160 9.470 1.00 0.00 C ATOM 1103 C VAL A 68 -5.522 4.565 9.589 1.00 0.00 C ATOM 1104 O VAL A 68 -6.360 4.667 8.721 1.00 0.00 O ATOM 1105 CB VAL A 68 -4.033 6.385 10.370 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.959 5.935 11.821 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.752 7.123 10.062 1.00 0.00 C ATOM 0 H VAL A 68 -4.510 6.002 7.575 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.402 4.436 9.809 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.898 7.026 10.203 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.880 6.808 12.469 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.859 5.375 12.075 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.085 5.299 11.961 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.673 7.999 10.706 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.901 6.465 10.239 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.756 7.438 9.019 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.709 3.892 10.662 1.00 0.00 N ATOM 1118 CA LEU A 69 -6.937 3.205 10.920 1.00 0.00 C ATOM 1119 C LEU A 69 -7.880 4.139 11.668 1.00 0.00 C ATOM 1120 O LEU A 69 -7.448 4.888 12.521 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.582 1.994 11.799 1.00 0.00 C ATOM 1122 CG LEU A 69 -5.491 1.097 11.132 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -6.065 -0.242 10.720 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -4.885 1.724 9.876 1.00 0.00 C ATOM 0 H LEU A 69 -5.012 3.796 11.400 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.427 2.886 10.000 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.225 2.340 12.769 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.478 1.402 11.982 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.716 0.983 11.890 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.284 -0.846 10.258 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.451 -0.758 11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.874 -0.087 10.006 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.134 1.052 9.460 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.670 1.892 9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.418 2.675 10.133 1.00 0.00 H new ATOM 1136 N HIS A 70 -9.167 4.096 11.389 1.00 0.00 N ATOM 1137 CA HIS A 70 -10.083 4.956 12.127 1.00 0.00 C ATOM 1138 C HIS A 70 -9.701 4.819 13.600 1.00 0.00 C ATOM 1139 O HIS A 70 -9.785 5.739 14.390 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.526 4.491 11.915 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.576 2.988 11.918 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -11.535 2.066 10.901 1.00 0.00 N flip ATOM 1143 CD2 HIS A 70 -11.682 2.254 13.089 1.00 0.00 C flip ATOM 1144 CE1 HIS A 70 -11.615 0.782 11.429 1.00 0.00 C flip ATOM 1145 NE2 HIS A 70 -11.702 0.952 12.751 1.00 0.00 N flip ATOM 0 H HIS A 70 -9.596 3.498 10.683 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.016 5.991 11.791 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.166 4.888 12.703 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.908 4.876 10.969 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.738 2.654 14.090 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.608 -0.152 10.887 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.775 0.188 13.423 1.00 0.00 H new ATOM 1153 N ALA A 71 -9.225 3.650 13.928 1.00 0.00 N ATOM 1154 CA ALA A 71 -8.769 3.382 15.267 1.00 0.00 C ATOM 1155 C ALA A 71 -7.421 4.088 15.447 1.00 0.00 C ATOM 1156 O ALA A 71 -7.146 5.088 14.816 1.00 0.00 O ATOM 1157 CB ALA A 71 -8.598 1.875 15.466 1.00 0.00 C ATOM 0 H ALA A 71 -9.142 2.863 13.284 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.492 3.744 15.998 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.253 1.679 16.481 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.554 1.376 15.305 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.866 1.495 14.754 1.00 0.00 H new ATOM 1163 N GLY A 72 -6.600 3.605 16.327 1.00 0.00 N ATOM 1164 CA GLY A 72 -5.320 4.255 16.578 1.00 0.00 C ATOM 1165 C GLY A 72 -4.209 3.376 16.035 1.00 0.00 C ATOM 1166 O GLY A 72 -3.261 3.031 16.712 1.00 0.00 O ATOM 0 H GLY A 72 -6.777 2.771 16.887 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.294 5.234 16.100 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.183 4.419 17.647 1.00 0.00 H new ATOM 1170 N ASP A 73 -4.357 3.001 14.814 1.00 0.00 N ATOM 1171 CA ASP A 73 -3.381 2.142 14.204 1.00 0.00 C ATOM 1172 C ASP A 73 -2.957 2.744 12.883 1.00 0.00 C ATOM 1173 O ASP A 73 -3.767 3.155 12.086 1.00 0.00 O ATOM 1174 CB ASP A 73 -3.977 0.751 13.993 1.00 0.00 C ATOM 1175 CG ASP A 73 -3.912 -0.036 15.304 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -3.542 0.552 16.306 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -4.233 -1.213 15.282 1.00 0.00 O ATOM 0 H ASP A 73 -5.137 3.268 14.213 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.510 2.047 14.852 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.011 0.834 13.657 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.429 0.224 13.212 1.00 0.00 H new ATOM 1182 N THR A 74 -1.685 2.811 12.657 1.00 0.00 N ATOM 1183 CA THR A 74 -1.213 3.390 11.431 1.00 0.00 C ATOM 1184 C THR A 74 -0.686 2.280 10.549 1.00 0.00 C ATOM 1185 O THR A 74 -0.377 1.198 11.009 1.00 0.00 O ATOM 1186 CB THR A 74 -0.091 4.388 11.727 1.00 0.00 C ATOM 1187 OG1 THR A 74 -0.300 4.966 13.008 1.00 0.00 O ATOM 1188 CG2 THR A 74 -0.086 5.486 10.662 1.00 0.00 C ATOM 0 H THR A 74 -0.959 2.479 13.292 1.00 0.00 H new ATOM 0 HA THR A 74 -2.026 3.914 10.929 1.00 0.00 H new ATOM 0 HB THR A 74 0.868 3.871 11.714 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.419 5.604 13.200 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.714 6.196 10.875 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.076 5.040 9.681 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.044 6.006 10.671 1.00 0.00 H new ATOM 1196 N THR A 75 -0.554 2.538 9.289 1.00 0.00 N ATOM 1197 CA THR A 75 -0.036 1.543 8.399 1.00 0.00 C ATOM 1198 C THR A 75 0.982 2.262 7.530 1.00 0.00 C ATOM 1199 O THR A 75 0.626 3.012 6.642 1.00 0.00 O ATOM 1200 CB THR A 75 -1.163 0.982 7.528 1.00 0.00 C ATOM 1201 OG1 THR A 75 -2.075 0.261 8.344 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.576 0.051 6.467 1.00 0.00 C ATOM 0 H THR A 75 -0.796 3.426 8.850 1.00 0.00 H new ATOM 0 HA THR A 75 0.410 0.708 8.940 1.00 0.00 H new ATOM 0 HB THR A 75 -1.686 1.802 7.036 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.738 0.231 9.264 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.380 -0.348 5.848 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.122 0.607 5.841 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.052 -0.771 6.954 1.00 0.00 H new ATOM 1210 N ASN A 76 2.240 2.065 7.769 1.00 0.00 N ATOM 1211 CA ASN A 76 3.224 2.747 6.968 1.00 0.00 C ATOM 1212 C ASN A 76 3.903 1.726 6.083 1.00 0.00 C ATOM 1213 O ASN A 76 4.086 0.588 6.467 1.00 0.00 O ATOM 1214 CB ASN A 76 4.262 3.406 7.874 1.00 0.00 C ATOM 1215 CG ASN A 76 3.557 4.281 8.911 1.00 0.00 C ATOM 1216 OD1 ASN A 76 2.382 4.109 9.169 1.00 0.00 O ATOM 1217 ND2 ASN A 76 4.229 5.218 9.521 1.00 0.00 N ATOM 0 H ASN A 76 2.611 1.452 8.495 1.00 0.00 H new ATOM 0 HA ASN A 76 2.746 3.517 6.363 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.860 2.644 8.373 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.947 4.010 7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.768 5.807 10.215 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.215 5.362 9.304 1.00 0.00 H new ATOM 1224 N PHE A 77 4.284 2.102 4.906 1.00 0.00 N ATOM 1225 CA PHE A 77 4.929 1.137 4.061 1.00 0.00 C ATOM 1226 C PHE A 77 5.959 1.811 3.167 1.00 0.00 C ATOM 1227 O PHE A 77 5.853 2.964 2.802 1.00 0.00 O ATOM 1228 CB PHE A 77 3.897 0.399 3.220 1.00 0.00 C ATOM 1229 CG PHE A 77 3.893 -1.050 3.623 1.00 0.00 C ATOM 1230 CD1 PHE A 77 5.085 -1.773 3.569 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.712 -1.676 4.043 1.00 0.00 C ATOM 1232 CE1 PHE A 77 5.106 -3.116 3.926 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.734 -3.025 4.402 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.939 -3.741 4.338 1.00 0.00 C ATOM 0 H PHE A 77 4.168 3.036 4.512 1.00 0.00 H new ATOM 0 HA PHE A 77 5.445 0.414 4.693 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.909 0.835 3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.134 0.496 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.995 -1.287 3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.789 -1.117 4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.031 -3.672 3.883 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.828 -3.515 4.727 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.958 -4.786 4.611 1.00 0.00 H new ATOM 1244 N HIS A 78 6.987 1.087 2.876 1.00 0.00 N ATOM 1245 CA HIS A 78 8.060 1.635 2.084 1.00 0.00 C ATOM 1246 C HIS A 78 8.589 0.590 1.115 1.00 0.00 C ATOM 1247 O HIS A 78 8.323 -0.583 1.226 1.00 0.00 O ATOM 1248 CB HIS A 78 9.194 2.102 3.009 1.00 0.00 C ATOM 1249 CG HIS A 78 10.288 2.748 2.200 1.00 0.00 C ATOM 1250 ND1 HIS A 78 11.386 2.029 1.771 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.482 4.033 1.732 1.00 0.00 C ATOM 1252 CE1 HIS A 78 12.173 2.869 1.082 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.671 4.096 1.038 1.00 0.00 N ATOM 0 H HIS A 78 7.116 0.118 3.168 1.00 0.00 H new ATOM 0 HA HIS A 78 7.680 2.483 1.513 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.807 2.809 3.743 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.594 1.253 3.564 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.566 1.040 1.946 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.806 4.861 1.886 1.00 0.00 H new ATOM 0 HE1 HIS A 78 13.105 2.580 0.618 1.00 0.00 H new ATOM 1261 N PHE A 79 9.339 1.041 0.168 1.00 0.00 N ATOM 1262 CA PHE A 79 9.919 0.163 -0.818 1.00 0.00 C ATOM 1263 C PHE A 79 11.384 0.570 -0.938 1.00 0.00 C ATOM 1264 O PHE A 79 11.671 1.738 -0.910 1.00 0.00 O ATOM 1265 CB PHE A 79 9.231 0.406 -2.144 1.00 0.00 C ATOM 1266 CG PHE A 79 7.722 0.284 -2.032 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.938 1.398 -1.668 1.00 0.00 C ATOM 1268 CD2 PHE A 79 7.103 -0.926 -2.336 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.534 1.284 -1.605 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.712 -1.041 -2.269 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.929 0.056 -1.905 1.00 0.00 C ATOM 0 H PHE A 79 9.574 2.026 0.046 1.00 0.00 H new ATOM 0 HA PHE A 79 9.814 -0.887 -0.543 1.00 0.00 H new ATOM 0 HB2 PHE A 79 9.488 1.400 -2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.599 -0.309 -2.880 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.413 2.340 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.700 -1.778 -2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.930 2.136 -1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.240 -1.984 -2.500 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.855 -0.042 -1.854 1.00 0.00 H new ATOM 1346 N ALA A 85 13.249 0.382 -6.413 1.00 0.00 N ATOM 1347 CA ALA A 85 12.545 0.988 -5.301 1.00 0.00 C ATOM 1348 C ALA A 85 11.884 2.329 -5.654 1.00 0.00 C ATOM 1349 O ALA A 85 11.643 3.124 -4.771 1.00 0.00 O ATOM 1350 CB ALA A 85 13.515 1.201 -4.152 1.00 0.00 C ATOM 0 HA ALA A 85 11.745 0.302 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.990 1.657 -3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.929 0.241 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.323 1.858 -4.475 1.00 0.00 H new ATOM 1356 N VAL A 86 11.586 2.633 -6.888 1.00 0.00 N ATOM 1357 CA VAL A 86 10.968 3.919 -7.163 1.00 0.00 C ATOM 1358 C VAL A 86 9.727 3.742 -8.064 1.00 0.00 C ATOM 1359 O VAL A 86 8.646 3.492 -7.585 1.00 0.00 O ATOM 1360 CB VAL A 86 11.980 4.829 -7.861 1.00 0.00 C ATOM 1361 CG1 VAL A 86 11.303 6.145 -8.248 1.00 0.00 C ATOM 1362 CG2 VAL A 86 13.145 5.116 -6.911 1.00 0.00 C ATOM 0 H VAL A 86 11.750 2.037 -7.700 1.00 0.00 H new ATOM 0 HA VAL A 86 10.654 4.367 -6.220 1.00 0.00 H new ATOM 0 HB VAL A 86 12.353 4.336 -8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.025 6.793 -8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.472 5.942 -8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.929 6.639 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.867 5.764 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.770 5.609 -6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.628 4.179 -6.635 1.00 0.00 H new ATOM 1372 N LYS A 87 9.882 3.895 -9.361 1.00 0.00 N ATOM 1373 CA LYS A 87 8.750 3.772 -10.289 1.00 0.00 C ATOM 1374 C LYS A 87 7.752 2.694 -9.835 1.00 0.00 C ATOM 1375 O LYS A 87 6.632 2.994 -9.460 1.00 0.00 O ATOM 1376 CB LYS A 87 9.279 3.407 -11.677 1.00 0.00 C ATOM 1377 CG LYS A 87 9.844 4.657 -12.355 1.00 0.00 C ATOM 1378 CD LYS A 87 9.287 4.762 -13.776 1.00 0.00 C ATOM 1379 CE LYS A 87 10.343 4.287 -14.775 1.00 0.00 C ATOM 1380 NZ LYS A 87 9.708 4.067 -16.104 1.00 0.00 N ATOM 0 H LYS A 87 10.774 4.105 -9.808 1.00 0.00 H new ATOM 0 HA LYS A 87 8.228 4.728 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.054 2.645 -11.593 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.478 2.983 -12.283 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.579 5.546 -11.782 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.933 4.608 -12.382 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.385 4.158 -13.870 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.004 5.792 -13.992 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.139 5.027 -14.859 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.803 3.364 -14.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.427 3.744 -16.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.964 3.346 -16.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.289 4.958 -16.440 1.00 0.00 H new ATOM 1394 N GLU A 88 8.138 1.445 -9.918 1.00 0.00 N ATOM 1395 CA GLU A 88 7.236 0.354 -9.547 1.00 0.00 C ATOM 1396 C GLU A 88 6.371 0.778 -8.359 1.00 0.00 C ATOM 1397 O GLU A 88 5.169 0.936 -8.461 1.00 0.00 O ATOM 1398 CB GLU A 88 8.060 -0.876 -9.150 1.00 0.00 C ATOM 1399 CG GLU A 88 9.400 -0.446 -8.549 1.00 0.00 C ATOM 1400 CD GLU A 88 10.531 -0.863 -9.490 1.00 0.00 C ATOM 1401 OE1 GLU A 88 10.638 -2.045 -9.771 1.00 0.00 O ATOM 1402 OE2 GLU A 88 11.266 0.010 -9.921 1.00 0.00 O ATOM 0 H GLU A 88 9.061 1.148 -10.235 1.00 0.00 H new ATOM 0 HA GLU A 88 6.597 0.115 -10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.506 -1.476 -8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.231 -1.505 -10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.415 0.634 -8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.537 -0.906 -7.570 1.00 0.00 H new ATOM 1409 N ARG A 89 6.987 0.981 -7.248 1.00 0.00 N ATOM 1410 CA ARG A 89 6.259 1.411 -6.068 1.00 0.00 C ATOM 1411 C ARG A 89 5.537 2.700 -6.434 1.00 0.00 C ATOM 1412 O ARG A 89 4.395 2.923 -6.089 1.00 0.00 O ATOM 1413 CB ARG A 89 7.231 1.673 -4.915 1.00 0.00 C ATOM 1414 CG ARG A 89 8.530 0.883 -5.124 1.00 0.00 C ATOM 1415 CD ARG A 89 8.195 -0.600 -5.338 1.00 0.00 C ATOM 1416 NE ARG A 89 9.403 -1.385 -5.302 1.00 0.00 N ATOM 1417 CZ ARG A 89 9.345 -2.662 -5.028 1.00 0.00 C ATOM 1418 NH1 ARG A 89 8.190 -3.249 -4.862 1.00 0.00 N ATOM 1419 NH2 ARG A 89 10.443 -3.355 -4.925 1.00 0.00 N ATOM 0 H ARG A 89 7.991 0.861 -7.114 1.00 0.00 H new ATOM 0 HA ARG A 89 5.554 0.643 -5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.452 2.739 -4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.771 1.386 -3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.071 1.273 -5.986 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.182 0.999 -4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.506 -0.941 -4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.692 -0.734 -6.296 1.00 0.00 H new ATOM 0 HE ARG A 89 10.303 -0.944 -5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.328 -2.711 -4.946 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.150 -4.246 -4.648 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.347 -2.901 -5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.399 -4.351 -4.711 1.00 0.00 H new ATOM 1433 N ASP A 90 6.209 3.526 -7.182 1.00 0.00 N ATOM 1434 CA ASP A 90 5.617 4.764 -7.638 1.00 0.00 C ATOM 1435 C ASP A 90 4.305 4.429 -8.353 1.00 0.00 C ATOM 1436 O ASP A 90 3.433 5.263 -8.502 1.00 0.00 O ATOM 1437 CB ASP A 90 6.570 5.464 -8.610 1.00 0.00 C ATOM 1438 CG ASP A 90 6.620 6.959 -8.292 1.00 0.00 C ATOM 1439 OD1 ASP A 90 5.735 7.427 -7.595 1.00 0.00 O ATOM 1440 OD2 ASP A 90 7.543 7.611 -8.751 1.00 0.00 O ATOM 0 H ASP A 90 7.168 3.371 -7.493 1.00 0.00 H new ATOM 0 HA ASP A 90 5.429 5.427 -6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.568 5.032 -8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.236 5.311 -9.636 1.00 0.00 H new ATOM 1445 N ALA A 91 4.123 3.182 -8.713 1.00 0.00 N ATOM 1446 CA ALA A 91 2.877 2.774 -9.317 1.00 0.00 C ATOM 1447 C ALA A 91 1.996 2.247 -8.183 1.00 0.00 C ATOM 1448 O ALA A 91 0.804 2.496 -8.124 1.00 0.00 O ATOM 1449 CB ALA A 91 3.131 1.664 -10.341 1.00 0.00 C ATOM 0 H ALA A 91 4.813 2.439 -8.600 1.00 0.00 H new ATOM 0 HA ALA A 91 2.399 3.605 -9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.186 1.362 -10.792 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.802 2.032 -11.117 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.586 0.807 -9.844 1.00 0.00 H new ATOM 1455 N VAL A 92 2.605 1.580 -7.232 1.00 0.00 N ATOM 1456 CA VAL A 92 1.849 1.111 -6.090 1.00 0.00 C ATOM 1457 C VAL A 92 1.218 2.346 -5.467 1.00 0.00 C ATOM 1458 O VAL A 92 0.013 2.455 -5.323 1.00 0.00 O ATOM 1459 CB VAL A 92 2.780 0.441 -5.072 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.107 0.416 -3.697 1.00 0.00 C ATOM 1461 CG2 VAL A 92 3.074 -0.994 -5.505 1.00 0.00 C ATOM 0 H VAL A 92 3.599 1.352 -7.222 1.00 0.00 H new ATOM 0 HA VAL A 92 1.100 0.378 -6.389 1.00 0.00 H new ATOM 0 HB VAL A 92 3.710 1.006 -5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.771 -0.061 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.896 1.436 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.175 -0.145 -3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.736 -1.465 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.141 -1.555 -5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.555 -0.988 -6.483 1.00 0.00 H new ATOM 1471 N LYS A 93 2.037 3.306 -5.143 1.00 0.00 N ATOM 1472 CA LYS A 93 1.523 4.531 -4.602 1.00 0.00 C ATOM 1473 C LYS A 93 0.498 5.049 -5.611 1.00 0.00 C ATOM 1474 O LYS A 93 -0.653 5.304 -5.272 1.00 0.00 O ATOM 1475 CB LYS A 93 2.683 5.520 -4.414 1.00 0.00 C ATOM 1476 CG LYS A 93 2.181 6.962 -4.546 1.00 0.00 C ATOM 1477 CD LYS A 93 3.113 7.909 -3.793 1.00 0.00 C ATOM 1478 CE LYS A 93 2.687 9.355 -4.050 1.00 0.00 C ATOM 1479 NZ LYS A 93 2.378 9.532 -5.497 1.00 0.00 N ATOM 0 H LYS A 93 3.051 3.266 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 93 1.052 4.394 -3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.138 5.375 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.457 5.328 -5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.134 7.245 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.169 7.042 -4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.082 7.694 -2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.142 7.759 -4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.812 9.600 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.482 10.038 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.536 10.524 -5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.997 8.916 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.385 9.279 -5.673 1.00 0.00 H new ATOM 1493 N ASP A 94 0.913 5.167 -6.863 1.00 0.00 N ATOM 1494 CA ASP A 94 0.017 5.624 -7.914 1.00 0.00 C ATOM 1495 C ASP A 94 -1.368 5.011 -7.719 1.00 0.00 C ATOM 1496 O ASP A 94 -2.365 5.593 -8.098 1.00 0.00 O ATOM 1497 CB ASP A 94 0.561 5.206 -9.281 1.00 0.00 C ATOM 1498 CG ASP A 94 -0.302 5.825 -10.383 1.00 0.00 C ATOM 1499 OD1 ASP A 94 -1.508 5.655 -10.328 1.00 0.00 O ATOM 1500 OD2 ASP A 94 0.259 6.457 -11.262 1.00 0.00 O ATOM 0 H ASP A 94 1.860 4.954 -7.175 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.054 6.711 -7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.596 5.532 -9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.558 4.120 -9.369 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.458 3.866 -7.095 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.769 3.294 -6.857 1.00 0.00 C ATOM 1507 C LEU A 95 -3.321 3.913 -5.579 1.00 0.00 C ATOM 1508 O LEU A 95 -4.452 4.342 -5.525 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.670 1.783 -6.669 1.00 0.00 C ATOM 1510 CG LEU A 95 -1.549 1.220 -7.534 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -1.708 -0.293 -7.619 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -1.626 1.820 -8.942 1.00 0.00 C ATOM 0 H LEU A 95 -0.669 3.320 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.417 3.496 -7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.483 1.551 -5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.617 1.313 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.584 1.471 -7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.911 -0.708 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.653 -0.721 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.674 -0.533 -8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.822 1.413 -9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.587 1.570 -9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.524 2.904 -8.882 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.515 3.942 -4.547 1.00 0.00 N ATOM 1525 CA LEU A 96 -2.941 4.509 -3.275 1.00 0.00 C ATOM 1526 C LEU A 96 -3.822 5.745 -3.509 1.00 0.00 C ATOM 1527 O LEU A 96 -4.967 5.798 -3.100 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.701 4.933 -2.474 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.853 3.715 -2.057 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.197 4.010 -0.712 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.730 2.466 -1.927 1.00 0.00 C ATOM 0 H LEU A 96 -1.561 3.582 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.512 3.759 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.094 5.612 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.011 5.483 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.095 3.531 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.406 3.155 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.440 4.890 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.968 4.196 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.113 1.617 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.497 2.637 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.205 2.254 -2.885 1.00 0.00 H new ATOM 1543 N GLN A 97 -3.282 6.748 -4.142 1.00 0.00 N ATOM 1544 CA GLN A 97 -4.075 7.961 -4.365 1.00 0.00 C ATOM 1545 C GLN A 97 -5.197 7.702 -5.368 1.00 0.00 C ATOM 1546 O GLN A 97 -5.995 8.571 -5.661 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.227 9.103 -4.891 1.00 0.00 C ATOM 1548 CG GLN A 97 -2.679 8.774 -6.275 1.00 0.00 C ATOM 1549 CD GLN A 97 -1.172 8.614 -6.170 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -0.430 9.571 -6.271 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -0.694 7.431 -5.971 1.00 0.00 N ATOM 0 H GLN A 97 -2.330 6.770 -4.508 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.491 8.238 -3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.824 10.014 -4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.403 9.297 -4.205 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.132 7.858 -6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.928 9.568 -6.980 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.325 6.634 -5.887 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.314 7.294 -5.897 1.00 0.00 H new ATOM 1560 N GLN A 98 -5.265 6.526 -5.891 1.00 0.00 N ATOM 1561 CA GLN A 98 -6.302 6.210 -6.849 1.00 0.00 C ATOM 1562 C GLN A 98 -7.480 5.511 -6.152 1.00 0.00 C ATOM 1563 O GLN A 98 -8.617 5.653 -6.556 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.725 5.295 -7.925 1.00 0.00 C ATOM 1565 CG GLN A 98 -6.467 5.542 -9.237 1.00 0.00 C ATOM 1566 CD GLN A 98 -7.112 4.240 -9.714 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -8.264 4.224 -10.097 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -6.412 3.138 -9.707 1.00 0.00 N ATOM 0 H GLN A 98 -4.624 5.761 -5.681 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.665 7.133 -7.302 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.660 5.489 -8.052 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.826 4.252 -7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.230 6.308 -9.096 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.776 5.916 -9.993 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.444 3.151 -9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.833 2.264 -10.023 1.00 0.00 H new ATOM 1577 N LEU A 99 -7.226 4.761 -5.110 1.00 0.00 N ATOM 1578 CA LEU A 99 -8.321 4.083 -4.418 1.00 0.00 C ATOM 1579 C LEU A 99 -8.805 4.963 -3.273 1.00 0.00 C ATOM 1580 O LEU A 99 -9.957 4.938 -2.894 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.857 2.746 -3.812 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.488 2.352 -4.344 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.448 2.827 -3.347 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.407 0.830 -4.483 1.00 0.00 C ATOM 0 H LEU A 99 -6.298 4.599 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.112 3.896 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.819 2.829 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.581 1.966 -4.047 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.315 2.802 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.453 2.558 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.514 3.910 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.628 2.355 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.425 0.551 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.563 0.367 -3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.176 0.486 -5.175 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.914 5.710 -2.696 1.00 0.00 N ATOM 1597 CA LEU A 100 -8.274 6.545 -1.574 1.00 0.00 C ATOM 1598 C LEU A 100 -9.558 7.299 -1.910 1.00 0.00 C ATOM 1599 O LEU A 100 -10.420 7.481 -1.073 1.00 0.00 O ATOM 1600 CB LEU A 100 -7.148 7.541 -1.294 1.00 0.00 C ATOM 1601 CG LEU A 100 -6.300 7.037 -0.126 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -5.708 5.669 -0.472 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -5.165 8.027 0.140 1.00 0.00 C ATOM 0 H LEU A 100 -6.935 5.764 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.431 5.928 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.527 7.663 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.565 8.520 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.925 6.947 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.104 5.312 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.515 4.962 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.083 5.757 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.559 7.670 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.543 8.115 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.584 9.002 0.388 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.636 7.699 -3.146 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.833 8.431 -3.615 1.00 0.00 C ATOM 1617 C PRO A 101 -12.071 7.519 -3.656 1.00 0.00 C ATOM 1618 O PRO A 101 -13.158 7.948 -3.990 1.00 0.00 O ATOM 1619 CB PRO A 101 -10.455 8.873 -5.028 1.00 0.00 C ATOM 1620 CG PRO A 101 -8.924 8.849 -5.121 1.00 0.00 C ATOM 1621 CD PRO A 101 -8.440 7.939 -3.997 1.00 0.00 C ATOM 0 HA PRO A 101 -11.094 9.260 -2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.895 8.206 -5.770 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.836 9.873 -5.232 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.599 8.474 -6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.512 9.852 -5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.043 7.003 -4.391 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.639 8.410 -3.427 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.905 6.264 -3.355 1.00 0.00 N ATOM 1630 CA LYS A 102 -13.020 5.330 -3.407 1.00 0.00 C ATOM 1631 C LYS A 102 -13.798 5.300 -2.088 1.00 0.00 C ATOM 1632 O LYS A 102 -15.011 5.228 -2.071 1.00 0.00 O ATOM 1633 CB LYS A 102 -12.451 3.935 -3.639 1.00 0.00 C ATOM 1634 CG LYS A 102 -13.565 2.895 -3.558 1.00 0.00 C ATOM 1635 CD LYS A 102 -13.520 2.002 -4.799 1.00 0.00 C ATOM 1636 CE LYS A 102 -14.543 0.874 -4.652 1.00 0.00 C ATOM 1637 NZ LYS A 102 -15.430 0.848 -5.849 1.00 0.00 N ATOM 0 H LYS A 102 -11.016 5.853 -3.070 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.695 5.643 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.969 3.888 -4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.685 3.718 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.449 2.291 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.534 3.389 -3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.736 2.590 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.520 1.587 -4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.032 -0.083 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -15.136 1.022 -3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -16.125 0.081 -5.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.927 1.758 -5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.857 0.687 -6.702 1.00 0.00 H new ATOM 1651 N PHE A 103 -13.104 5.293 -0.990 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.775 5.198 0.302 1.00 0.00 C ATOM 1653 C PHE A 103 -13.673 6.523 1.048 1.00 0.00 C ATOM 1654 O PHE A 103 -14.187 6.665 2.137 1.00 0.00 O ATOM 1655 CB PHE A 103 -13.111 4.095 1.150 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.691 3.948 0.688 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.427 3.213 -0.466 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.654 4.597 1.368 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -10.128 3.118 -0.948 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -9.342 4.494 0.892 1.00 0.00 C ATOM 1661 CZ PHE A 103 -9.079 3.754 -0.270 1.00 0.00 C ATOM 0 H PHE A 103 -12.087 5.350 -0.946 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.825 4.958 0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -13.143 4.356 2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.648 3.153 1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -12.233 2.717 -0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.865 5.175 2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.926 2.553 -1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.535 4.983 1.418 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.068 3.674 -0.642 1.00 0.00 H new