USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=17 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 66 GLN : amide:sc= -1.93! C(o=-12!,f=-16!) USER MOD Set 1.2: A 76 ASN : amide:sc= -9.61! C(o=-12!,f=-18!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0371) USER MOD Single : A 17 GLN :FLIP amide:sc= -13.9! C(o=-15!,f=-14!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -115:sc= -0.939 (180deg=-2.95!) USER MOD Single : A 20 GLN : amide:sc=-0.00274 X(o=-0.0027,f=-0.15) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -142:sc= -4.21! (180deg=-6.32!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 46:sc= 0.591 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -7.23! C(o=-12!,f=-7.2!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 128:sc= -3.77! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 170:sc= -0.468 USER MOD Single : A 53 GLN : amide:sc= -7.74! C(o=-7.7!,f=-10!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-7.4!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 78 HIS : no HE2:sc= -16.4! C(o=-16!,f=-26!) USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= -0.211 (180deg=-0.619) USER MOD Single : A 93 LYS NZ :NH3+ 142:sc= 1.18 (180deg=0.0781) USER MOD Single : A 97 GLN :FLIP amide:sc= -8.76! C(o=-13!,f=-8.8!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -8.841 -7.116 -6.761 1.00 0.00 N ATOM 97 CA VAL A 8 -7.760 -6.377 -6.149 1.00 0.00 C ATOM 98 C VAL A 8 -7.121 -5.498 -7.222 1.00 0.00 C ATOM 99 O VAL A 8 -7.242 -5.758 -8.403 1.00 0.00 O ATOM 100 CB VAL A 8 -6.729 -7.365 -5.573 1.00 0.00 C ATOM 101 CG1 VAL A 8 -7.453 -8.616 -5.068 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.723 -7.782 -6.654 1.00 0.00 C ATOM 0 HA VAL A 8 -8.128 -5.752 -5.335 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.198 -6.877 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.726 -9.317 -4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.164 -8.336 -4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.986 -9.086 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.002 -8.480 -6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.252 -8.262 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.200 -6.900 -7.024 1.00 0.00 H new ATOM 112 N LEU A 9 -6.511 -4.419 -6.831 1.00 0.00 N ATOM 113 CA LEU A 9 -5.967 -3.515 -7.826 1.00 0.00 C ATOM 114 C LEU A 9 -4.445 -3.689 -8.055 1.00 0.00 C ATOM 115 O LEU A 9 -3.989 -3.497 -9.165 1.00 0.00 O ATOM 116 CB LEU A 9 -6.277 -2.082 -7.391 1.00 0.00 C ATOM 117 CG LEU A 9 -5.468 -1.095 -8.228 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.790 -1.297 -9.710 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.835 0.333 -7.816 1.00 0.00 C ATOM 0 H LEU A 9 -6.374 -4.139 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.437 -3.749 -8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.342 -1.881 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.040 -1.955 -6.335 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.403 -1.262 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.212 -0.592 -10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.534 -2.315 -10.002 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.854 -1.128 -9.878 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.260 1.043 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.899 0.498 -7.984 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.607 0.477 -6.760 1.00 0.00 H new ATOM 131 N LEU A 10 -3.632 -4.046 -7.081 1.00 0.00 N ATOM 132 CA LEU A 10 -2.216 -4.188 -7.404 1.00 0.00 C ATOM 133 C LEU A 10 -1.422 -4.697 -6.202 1.00 0.00 C ATOM 134 O LEU A 10 -1.869 -4.641 -5.076 1.00 0.00 O ATOM 135 CB LEU A 10 -1.647 -2.838 -7.846 1.00 0.00 C ATOM 136 CG LEU A 10 -0.253 -3.048 -8.442 1.00 0.00 C ATOM 137 CD1 LEU A 10 -0.338 -4.030 -9.613 1.00 0.00 C ATOM 138 CD2 LEU A 10 0.297 -1.713 -8.943 1.00 0.00 C ATOM 0 H LEU A 10 -3.898 -4.235 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.127 -4.914 -8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.305 -2.377 -8.583 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.593 -2.157 -6.996 1.00 0.00 H new ATOM 0 HG LEU A 10 0.408 -3.451 -7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.655 -4.178 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.728 -4.984 -9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.002 -3.627 -10.378 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.290 -1.865 -9.367 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.367 -1.310 -9.708 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.361 -1.011 -8.112 1.00 0.00 H new ATOM 150 N ILE A 11 -0.240 -5.206 -6.447 1.00 0.00 N ATOM 151 CA ILE A 11 0.577 -5.723 -5.367 1.00 0.00 C ATOM 152 C ILE A 11 2.046 -5.350 -5.584 1.00 0.00 C ATOM 153 O ILE A 11 2.560 -5.417 -6.683 1.00 0.00 O ATOM 154 CB ILE A 11 0.448 -7.251 -5.342 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.643 -7.887 -4.602 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.387 -7.773 -6.780 1.00 0.00 C ATOM 157 CD1 ILE A 11 2.829 -8.079 -5.556 1.00 0.00 C ATOM 0 H ILE A 11 0.179 -5.275 -7.374 1.00 0.00 H new ATOM 0 HA ILE A 11 0.239 -5.294 -4.424 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.465 -7.522 -4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.940 -7.252 -3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.348 -8.849 -4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.295 -8.859 -6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.475 -7.341 -7.288 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.298 -7.491 -7.308 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.662 -8.529 -5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.534 -8.733 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.135 -7.112 -5.955 1.00 0.00 H new ATOM 169 N VAL A 12 2.738 -5.022 -4.530 1.00 0.00 N ATOM 170 CA VAL A 12 4.148 -4.731 -4.652 1.00 0.00 C ATOM 171 C VAL A 12 4.878 -5.968 -4.125 1.00 0.00 C ATOM 172 O VAL A 12 4.454 -6.597 -3.172 1.00 0.00 O ATOM 173 CB VAL A 12 4.538 -3.473 -3.875 1.00 0.00 C ATOM 174 CG1 VAL A 12 5.342 -2.553 -4.795 1.00 0.00 C ATOM 175 CG2 VAL A 12 3.286 -2.732 -3.412 1.00 0.00 C ATOM 0 H VAL A 12 2.360 -4.948 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 12 4.417 -4.524 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 12 5.130 -3.758 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.626 -1.652 -4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.240 -3.071 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.734 -2.280 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.576 -1.838 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.691 -2.446 -4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.696 -3.382 -2.766 1.00 0.00 H new ATOM 185 N LYS A 13 5.897 -6.380 -4.810 1.00 0.00 N ATOM 186 CA LYS A 13 6.568 -7.625 -4.466 1.00 0.00 C ATOM 187 C LYS A 13 7.689 -7.530 -3.437 1.00 0.00 C ATOM 188 O LYS A 13 7.762 -8.376 -2.568 1.00 0.00 O ATOM 189 CB LYS A 13 7.098 -8.215 -5.779 1.00 0.00 C ATOM 190 CG LYS A 13 8.137 -9.311 -5.533 1.00 0.00 C ATOM 191 CD LYS A 13 7.708 -10.180 -4.361 1.00 0.00 C ATOM 192 CE LYS A 13 7.906 -11.656 -4.711 1.00 0.00 C ATOM 193 NZ LYS A 13 6.581 -12.334 -4.769 1.00 0.00 N ATOM 0 H LYS A 13 6.293 -5.886 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 13 5.832 -8.258 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.268 -8.624 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.542 -7.422 -6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.251 -9.923 -6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.109 -8.863 -5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.290 -9.925 -3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.662 -9.991 -4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.416 -11.748 -5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.540 -12.136 -3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.715 -13.338 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.111 -12.257 -3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.991 -11.881 -5.496 1.00 0.00 H new ATOM 207 N LYS A 14 8.454 -6.499 -3.372 1.00 0.00 N ATOM 208 CA LYS A 14 9.374 -6.465 -2.246 1.00 0.00 C ATOM 209 C LYS A 14 9.351 -5.117 -1.540 1.00 0.00 C ATOM 210 O LYS A 14 9.880 -4.141 -2.034 1.00 0.00 O ATOM 211 CB LYS A 14 10.796 -6.716 -2.756 1.00 0.00 C ATOM 212 CG LYS A 14 11.372 -7.961 -2.080 1.00 0.00 C ATOM 213 CD LYS A 14 10.360 -9.101 -2.166 1.00 0.00 C ATOM 214 CE LYS A 14 11.079 -10.437 -1.975 1.00 0.00 C ATOM 215 NZ LYS A 14 11.573 -10.539 -0.574 1.00 0.00 N ATOM 0 H LYS A 14 8.481 -5.713 -4.021 1.00 0.00 H new ATOM 0 HA LYS A 14 9.065 -7.234 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.787 -6.849 -3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.426 -5.852 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.305 -8.251 -2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.606 -7.746 -1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.591 -8.977 -1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.856 -9.082 -3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.401 -11.262 -2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.913 -10.516 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.956 -11.492 -0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.321 -9.833 -0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.788 -10.363 0.085 1.00 0.00 H new ATOM 229 N VAL A 15 8.660 -5.022 -0.449 1.00 0.00 N ATOM 230 CA VAL A 15 8.528 -3.729 0.173 1.00 0.00 C ATOM 231 C VAL A 15 9.305 -3.640 1.469 1.00 0.00 C ATOM 232 O VAL A 15 9.685 -4.619 2.078 1.00 0.00 O ATOM 233 CB VAL A 15 7.039 -3.479 0.412 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.779 -2.057 0.893 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.328 -3.668 -0.907 1.00 0.00 C ATOM 0 H VAL A 15 8.189 -5.794 0.023 1.00 0.00 H new ATOM 0 HA VAL A 15 8.945 -2.966 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 15 6.683 -4.169 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.710 -1.916 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.311 -1.887 1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.130 -1.349 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.260 -3.497 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.720 -2.959 -1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.490 -4.685 -1.265 1.00 0.00 H new ATOM 245 N ARG A 16 9.532 -2.434 1.866 1.00 0.00 N ATOM 246 CA ARG A 16 10.254 -2.144 3.065 1.00 0.00 C ATOM 247 C ARG A 16 9.372 -1.275 3.926 1.00 0.00 C ATOM 248 O ARG A 16 8.970 -0.201 3.530 1.00 0.00 O ATOM 249 CB ARG A 16 11.486 -1.328 2.682 1.00 0.00 C ATOM 250 CG ARG A 16 12.193 -0.824 3.937 1.00 0.00 C ATOM 251 CD ARG A 16 13.401 -1.715 4.276 1.00 0.00 C ATOM 252 NE ARG A 16 13.374 -2.966 3.527 1.00 0.00 N ATOM 253 CZ ARG A 16 14.486 -3.630 3.324 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.618 -3.196 3.815 1.00 0.00 N ATOM 255 NH2 ARG A 16 14.462 -4.742 2.641 1.00 0.00 N ATOM 0 H ARG A 16 9.217 -1.606 1.360 1.00 0.00 H new ATOM 0 HA ARG A 16 10.539 -3.058 3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.168 -1.940 2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.193 -0.485 2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.524 0.204 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.495 -0.815 4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 16 14.323 -1.178 4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.406 -1.930 5.345 1.00 0.00 H new ATOM 0 HE ARG A 16 12.491 -3.324 3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.640 -2.335 4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.478 -3.719 3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.580 -5.092 2.267 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.325 -5.261 2.481 1.00 0.00 H new ATOM 269 N GLN A 17 9.080 -1.696 5.101 1.00 0.00 N ATOM 270 CA GLN A 17 8.276 -0.864 5.934 1.00 0.00 C ATOM 271 C GLN A 17 9.013 -0.709 7.258 1.00 0.00 C ATOM 272 O GLN A 17 9.733 -1.592 7.678 1.00 0.00 O ATOM 273 CB GLN A 17 6.871 -1.463 6.094 1.00 0.00 C ATOM 274 CG GLN A 17 6.942 -2.924 6.492 1.00 0.00 C ATOM 275 CD GLN A 17 5.547 -3.393 6.898 1.00 0.00 C ATOM 276 OE1 GLN A 17 5.420 -4.475 7.602 1.00 0.00 O flip ATOM 277 NE2 GLN A 17 4.562 -2.759 6.575 1.00 0.00 N flip ATOM 0 H GLN A 17 9.373 -2.586 5.505 1.00 0.00 H new ATOM 0 HA GLN A 17 8.126 0.122 5.494 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.318 -0.904 6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.322 -1.364 5.158 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.315 -3.523 5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.640 -3.056 7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.662 -1.908 6.021 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.635 -3.078 6.857 1.00 0.00 H new ATOM 286 N LYS A 18 8.942 0.459 7.831 1.00 0.00 N ATOM 287 CA LYS A 18 9.719 0.757 9.029 1.00 0.00 C ATOM 288 C LYS A 18 9.825 -0.462 9.960 1.00 0.00 C ATOM 289 O LYS A 18 10.734 -0.541 10.763 1.00 0.00 O ATOM 290 CB LYS A 18 9.054 1.910 9.784 1.00 0.00 C ATOM 291 CG LYS A 18 10.090 3.003 10.060 1.00 0.00 C ATOM 292 CD LYS A 18 10.518 3.646 8.739 1.00 0.00 C ATOM 293 CE LYS A 18 11.803 4.449 8.954 1.00 0.00 C ATOM 294 NZ LYS A 18 11.604 5.844 8.469 1.00 0.00 N ATOM 0 H LYS A 18 8.359 1.227 7.499 1.00 0.00 H new ATOM 0 HA LYS A 18 10.727 1.030 8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.229 2.315 9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.631 1.549 10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.670 3.758 10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.956 2.578 10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.679 2.877 7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.728 4.298 8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.068 4.455 10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.630 3.981 8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.477 6.390 8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.370 5.829 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.826 6.288 8.997 1.00 0.00 H new ATOM 308 N LYS A 19 8.952 -1.424 9.861 1.00 0.00 N ATOM 309 CA LYS A 19 9.081 -2.581 10.716 1.00 0.00 C ATOM 310 C LYS A 19 9.887 -3.697 10.008 1.00 0.00 C ATOM 311 O LYS A 19 10.792 -4.285 10.567 1.00 0.00 O ATOM 312 CB LYS A 19 7.667 -3.110 11.078 1.00 0.00 C ATOM 313 CG LYS A 19 7.023 -3.877 9.892 1.00 0.00 C ATOM 314 CD LYS A 19 5.615 -4.362 10.255 1.00 0.00 C ATOM 315 CE LYS A 19 5.570 -4.812 11.718 1.00 0.00 C ATOM 316 NZ LYS A 19 5.248 -3.645 12.587 1.00 0.00 N ATOM 0 H LYS A 19 8.161 -1.438 9.217 1.00 0.00 H new ATOM 0 HA LYS A 19 9.613 -2.292 11.622 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.735 -3.769 11.944 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.027 -2.275 11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.974 -3.228 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.647 -4.729 9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.894 -3.562 10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.328 -5.188 9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.820 -5.593 11.847 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.529 -5.241 12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.058 -3.439 13.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.045 -2.816 11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.415 -3.865 13.170 1.00 0.00 H new ATOM 330 N GLN A 20 9.467 -4.051 8.832 1.00 0.00 N ATOM 331 CA GLN A 20 10.043 -5.161 8.112 1.00 0.00 C ATOM 332 C GLN A 20 9.913 -4.951 6.615 1.00 0.00 C ATOM 333 O GLN A 20 9.187 -4.099 6.156 1.00 0.00 O ATOM 334 CB GLN A 20 9.354 -6.465 8.503 1.00 0.00 C ATOM 335 CG GLN A 20 10.316 -7.297 9.345 1.00 0.00 C ATOM 336 CD GLN A 20 10.521 -8.662 8.686 1.00 0.00 C ATOM 337 OE1 GLN A 20 9.570 -9.322 8.317 1.00 0.00 O ATOM 338 NE2 GLN A 20 11.733 -9.117 8.521 1.00 0.00 N ATOM 0 H GLN A 20 8.711 -3.579 8.336 1.00 0.00 H new ATOM 0 HA GLN A 20 11.100 -5.221 8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.444 -6.257 9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.058 -7.018 7.611 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.271 -6.781 9.442 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.919 -7.423 10.352 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.532 -8.564 8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.881 -10.026 8.083 1.00 0.00 H new ATOM 347 N ASP A 21 10.572 -5.757 5.849 1.00 0.00 N ATOM 348 CA ASP A 21 10.433 -5.640 4.422 1.00 0.00 C ATOM 349 C ASP A 21 9.570 -6.851 4.102 1.00 0.00 C ATOM 350 O ASP A 21 9.755 -7.926 4.637 1.00 0.00 O ATOM 351 CB ASP A 21 11.791 -5.750 3.708 1.00 0.00 C ATOM 352 CG ASP A 21 12.920 -5.459 4.701 1.00 0.00 C ATOM 353 OD1 ASP A 21 12.758 -4.556 5.504 1.00 0.00 O ATOM 354 OD2 ASP A 21 13.927 -6.146 4.640 1.00 0.00 O ATOM 0 H ASP A 21 11.202 -6.492 6.171 1.00 0.00 H new ATOM 0 HA ASP A 21 10.018 -4.684 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.912 -6.748 3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.834 -5.046 2.877 1.00 0.00 H new ATOM 359 N GLY A 22 8.587 -6.660 3.281 1.00 0.00 N ATOM 360 CA GLY A 22 7.669 -7.728 2.969 1.00 0.00 C ATOM 361 C GLY A 22 6.937 -7.368 1.683 1.00 0.00 C ATOM 362 O GLY A 22 6.991 -6.238 1.241 1.00 0.00 O ATOM 0 H GLY A 22 8.393 -5.776 2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.207 -8.668 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.959 -7.869 3.784 1.00 0.00 H new ATOM 366 N ALA A 23 6.264 -8.283 1.058 1.00 0.00 N ATOM 367 CA ALA A 23 5.585 -7.933 -0.166 1.00 0.00 C ATOM 368 C ALA A 23 4.247 -7.319 0.221 1.00 0.00 C ATOM 369 O ALA A 23 3.608 -7.703 1.180 1.00 0.00 O ATOM 370 CB ALA A 23 5.347 -9.194 -0.998 1.00 0.00 C ATOM 0 H ALA A 23 6.166 -9.253 1.357 1.00 0.00 H new ATOM 0 HA ALA A 23 6.179 -7.234 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.834 -8.929 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.304 -9.660 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.733 -9.894 -0.431 1.00 0.00 H new ATOM 376 N LEU A 24 3.901 -6.285 -0.473 1.00 0.00 N ATOM 377 CA LEU A 24 2.716 -5.535 -0.126 1.00 0.00 C ATOM 378 C LEU A 24 1.640 -5.792 -1.170 1.00 0.00 C ATOM 379 O LEU A 24 1.884 -5.766 -2.351 1.00 0.00 O ATOM 380 CB LEU A 24 3.075 -4.036 -0.123 1.00 0.00 C ATOM 381 CG LEU A 24 2.915 -3.425 1.259 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.851 -1.907 1.092 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.626 -3.914 1.914 1.00 0.00 C ATOM 0 H LEU A 24 4.413 -5.933 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 24 2.349 -5.837 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.103 -3.907 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.437 -3.507 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 24 3.753 -3.716 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.736 -1.438 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.770 -1.553 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.001 -1.646 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.528 -3.466 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.773 -3.626 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.655 -5.000 2.008 1.00 0.00 H new ATOM 395 N TYR A 25 0.443 -6.040 -0.728 1.00 0.00 N ATOM 396 CA TYR A 25 -0.642 -6.294 -1.646 1.00 0.00 C ATOM 397 C TYR A 25 -1.657 -5.176 -1.480 1.00 0.00 C ATOM 398 O TYR A 25 -1.984 -4.795 -0.374 1.00 0.00 O ATOM 399 CB TYR A 25 -1.315 -7.622 -1.290 1.00 0.00 C ATOM 400 CG TYR A 25 -0.667 -8.757 -2.042 1.00 0.00 C ATOM 401 CD1 TYR A 25 -1.150 -9.124 -3.302 1.00 0.00 C ATOM 402 CD2 TYR A 25 0.408 -9.449 -1.474 1.00 0.00 C ATOM 403 CE1 TYR A 25 -0.556 -10.185 -3.997 1.00 0.00 C ATOM 404 CE2 TYR A 25 1.002 -10.510 -2.167 1.00 0.00 C ATOM 405 CZ TYR A 25 0.520 -10.879 -3.429 1.00 0.00 C ATOM 406 OH TYR A 25 1.104 -11.926 -4.112 1.00 0.00 O ATOM 0 H TYR A 25 0.187 -6.073 0.259 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.269 -6.340 -2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.241 -7.799 -0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.377 -7.576 -1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.981 -8.590 -3.739 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.780 -9.164 -0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.928 -10.468 -4.971 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.832 -11.044 -1.729 1.00 0.00 H new ATOM 0 HH TYR A 25 1.837 -12.297 -3.577 1.00 0.00 H new ATOM 416 N LEU A 26 -2.177 -4.643 -2.543 1.00 0.00 N ATOM 417 CA LEU A 26 -3.149 -3.591 -2.409 1.00 0.00 C ATOM 418 C LEU A 26 -4.455 -4.112 -3.015 1.00 0.00 C ATOM 419 O LEU A 26 -4.452 -4.744 -4.062 1.00 0.00 O ATOM 420 CB LEU A 26 -2.627 -2.350 -3.153 1.00 0.00 C ATOM 421 CG LEU A 26 -3.771 -1.562 -3.790 1.00 0.00 C ATOM 422 CD1 LEU A 26 -3.371 -0.091 -3.902 1.00 0.00 C ATOM 423 CD2 LEU A 26 -4.037 -2.113 -5.187 1.00 0.00 C ATOM 0 H LEU A 26 -1.952 -4.911 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.322 -3.308 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.084 -1.709 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.920 -2.656 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.667 -1.654 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.185 0.474 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.164 0.306 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.478 -0.003 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.852 -1.556 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.138 -2.012 -5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.311 -3.166 -5.117 1.00 0.00 H new ATOM 435 N MET A 27 -5.571 -3.833 -2.395 1.00 0.00 N ATOM 436 CA MET A 27 -6.829 -4.289 -2.931 1.00 0.00 C ATOM 437 C MET A 27 -7.831 -3.148 -2.820 1.00 0.00 C ATOM 438 O MET A 27 -7.730 -2.320 -1.935 1.00 0.00 O ATOM 439 CB MET A 27 -7.329 -5.485 -2.123 1.00 0.00 C ATOM 440 CG MET A 27 -8.795 -5.745 -2.467 1.00 0.00 C ATOM 441 SD MET A 27 -9.125 -7.522 -2.445 1.00 0.00 S ATOM 442 CE MET A 27 -10.853 -7.420 -2.970 1.00 0.00 C ATOM 0 H MET A 27 -5.637 -3.299 -1.529 1.00 0.00 H new ATOM 0 HA MET A 27 -6.709 -4.591 -3.971 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.729 -6.367 -2.346 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.222 -5.289 -1.056 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.441 -5.237 -1.751 1.00 0.00 H new ATOM 0 HG3 MET A 27 -9.025 -5.336 -3.451 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.441 -8.165 -2.434 1.00 0.00 H new ATOM 0 HE2 MET A 27 -11.241 -6.425 -2.752 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.919 -7.608 -4.042 1.00 0.00 H new ATOM 452 N ALA A 28 -8.786 -3.094 -3.711 1.00 0.00 N ATOM 453 CA ALA A 28 -9.765 -2.022 -3.675 1.00 0.00 C ATOM 454 C ALA A 28 -10.121 -1.677 -2.223 1.00 0.00 C ATOM 455 O ALA A 28 -10.053 -0.537 -1.809 1.00 0.00 O ATOM 456 CB ALA A 28 -11.029 -2.497 -4.409 1.00 0.00 C ATOM 0 H ALA A 28 -8.913 -3.768 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.354 -1.134 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.778 -1.705 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.780 -2.741 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.427 -3.382 -3.913 1.00 0.00 H new ATOM 462 N GLU A 29 -10.590 -2.636 -1.484 1.00 0.00 N ATOM 463 CA GLU A 29 -11.044 -2.344 -0.136 1.00 0.00 C ATOM 464 C GLU A 29 -9.930 -2.408 0.921 1.00 0.00 C ATOM 465 O GLU A 29 -10.141 -1.974 2.036 1.00 0.00 O ATOM 466 CB GLU A 29 -12.136 -3.346 0.238 1.00 0.00 C ATOM 467 CG GLU A 29 -12.796 -2.934 1.557 1.00 0.00 C ATOM 468 CD GLU A 29 -14.157 -2.296 1.267 1.00 0.00 C ATOM 469 OE1 GLU A 29 -15.028 -3.000 0.783 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.304 -1.115 1.535 1.00 0.00 O ATOM 0 H GLU A 29 -10.672 -3.611 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.413 -1.318 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.884 -3.393 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.708 -4.344 0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.920 -3.804 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.158 -2.230 2.091 1.00 0.00 H new ATOM 477 N ARG A 30 -8.763 -2.927 0.654 1.00 0.00 N ATOM 478 CA ARG A 30 -7.789 -2.947 1.741 1.00 0.00 C ATOM 479 C ARG A 30 -6.358 -3.183 1.258 1.00 0.00 C ATOM 480 O ARG A 30 -6.106 -3.596 0.144 1.00 0.00 O ATOM 481 CB ARG A 30 -8.169 -4.029 2.760 1.00 0.00 C ATOM 482 CG ARG A 30 -7.552 -5.383 2.396 1.00 0.00 C ATOM 483 CD ARG A 30 -8.654 -6.433 2.354 1.00 0.00 C ATOM 484 NE ARG A 30 -9.387 -6.280 1.112 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.282 -7.166 0.763 1.00 0.00 C ATOM 486 NH1 ARG A 30 -10.508 -8.205 1.523 1.00 0.00 N ATOM 487 NH2 ARG A 30 -10.953 -7.015 -0.344 1.00 0.00 N ATOM 0 H ARG A 30 -8.464 -3.320 -0.238 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.814 -1.960 2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.833 -3.730 3.753 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.254 -4.123 2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.053 -5.322 1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.794 -5.661 3.129 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.227 -7.434 2.421 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.323 -6.314 3.206 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.203 -5.478 0.509 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.985 -8.326 2.391 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.207 -8.895 1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.780 -6.205 -0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.651 -7.707 -0.616 1.00 0.00 H new ATOM 501 N ILE A 31 -5.426 -2.936 2.139 1.00 0.00 N ATOM 502 CA ILE A 31 -4.025 -3.142 1.832 1.00 0.00 C ATOM 503 C ILE A 31 -3.537 -4.351 2.648 1.00 0.00 C ATOM 504 O ILE A 31 -3.785 -4.448 3.833 1.00 0.00 O ATOM 505 CB ILE A 31 -3.240 -1.873 2.208 1.00 0.00 C ATOM 506 CG1 ILE A 31 -3.274 -0.899 1.023 1.00 0.00 C ATOM 507 CG2 ILE A 31 -1.785 -2.223 2.552 1.00 0.00 C ATOM 508 CD1 ILE A 31 -2.197 -1.267 -0.002 1.00 0.00 C ATOM 0 H ILE A 31 -5.607 -2.590 3.081 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.875 -3.337 0.770 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.698 -1.412 3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.257 -0.924 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.115 0.120 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.245 -1.314 2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.766 -2.913 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.310 -2.691 1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.234 -0.567 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.215 -1.219 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.374 -2.278 -0.369 1.00 0.00 H new ATOM 520 N ALA A 32 -2.866 -5.285 2.026 1.00 0.00 N ATOM 521 CA ALA A 32 -2.408 -6.457 2.759 1.00 0.00 C ATOM 522 C ALA A 32 -0.890 -6.564 2.697 1.00 0.00 C ATOM 523 O ALA A 32 -0.264 -6.179 1.732 1.00 0.00 O ATOM 524 CB ALA A 32 -3.031 -7.712 2.147 1.00 0.00 C ATOM 0 H ALA A 32 -2.624 -5.268 1.035 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.711 -6.362 3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.690 -8.591 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.117 -7.646 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.731 -7.795 1.103 1.00 0.00 H new ATOM 530 N TRP A 33 -0.293 -7.093 3.730 1.00 0.00 N ATOM 531 CA TRP A 33 1.142 -7.231 3.742 1.00 0.00 C ATOM 532 C TRP A 33 1.496 -8.688 4.014 1.00 0.00 C ATOM 533 O TRP A 33 0.906 -9.330 4.854 1.00 0.00 O ATOM 534 CB TRP A 33 1.715 -6.360 4.837 1.00 0.00 C ATOM 535 CG TRP A 33 3.189 -6.430 4.792 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.936 -6.225 3.691 1.00 0.00 C ATOM 537 CD2 TRP A 33 4.119 -6.750 5.860 1.00 0.00 C ATOM 538 NE1 TRP A 33 5.261 -6.304 4.054 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.423 -6.650 5.349 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.969 -7.092 7.205 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.541 -6.870 6.121 1.00 0.00 C ATOM 542 CZ3 TRP A 33 5.097 -7.341 7.994 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.387 -7.226 7.451 1.00 0.00 C ATOM 0 H TRP A 33 -0.769 -7.433 4.566 1.00 0.00 H new ATOM 0 HA TRP A 33 1.555 -6.925 2.781 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.384 -5.329 4.709 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.353 -6.693 5.810 1.00 0.00 H new ATOM 0 HD1 TRP A 33 3.561 -6.032 2.697 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.035 -6.121 3.415 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.982 -7.164 7.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.528 -6.766 5.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.975 -7.624 9.029 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.254 -7.414 8.067 1.00 0.00 H new ATOM 554 N ALA A 34 2.440 -9.220 3.300 1.00 0.00 N ATOM 555 CA ALA A 34 2.802 -10.609 3.510 1.00 0.00 C ATOM 556 C ALA A 34 4.267 -10.877 3.137 1.00 0.00 C ATOM 557 O ALA A 34 4.888 -10.092 2.448 1.00 0.00 O ATOM 558 CB ALA A 34 1.893 -11.495 2.668 1.00 0.00 C ATOM 0 H ALA A 34 2.971 -8.734 2.577 1.00 0.00 H new ATOM 0 HA ALA A 34 2.680 -10.836 4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.160 -12.541 2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.856 -11.338 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.012 -11.241 1.615 1.00 0.00 H new ATOM 564 N PRO A 35 4.755 -12.017 3.577 1.00 0.00 N ATOM 565 CA PRO A 35 6.144 -12.399 3.230 1.00 0.00 C ATOM 566 C PRO A 35 6.101 -13.512 2.174 1.00 0.00 C ATOM 567 O PRO A 35 5.117 -13.671 1.479 1.00 0.00 O ATOM 568 CB PRO A 35 6.777 -12.917 4.525 1.00 0.00 C ATOM 569 CG PRO A 35 5.690 -12.888 5.618 1.00 0.00 C ATOM 570 CD PRO A 35 4.417 -12.306 4.992 1.00 0.00 C ATOM 0 HA PRO A 35 6.716 -11.565 2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.155 -13.930 4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.625 -12.296 4.812 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.504 -13.892 6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.013 -12.280 6.463 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.590 -13.013 5.059 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.105 -11.400 5.512 1.00 0.00 H new ATOM 678 N THR A 42 0.033 -11.350 5.775 1.00 0.00 N ATOM 679 CA THR A 42 0.397 -11.106 7.147 1.00 0.00 C ATOM 680 C THR A 42 -0.437 -9.921 7.652 1.00 0.00 C ATOM 681 O THR A 42 -0.693 -9.774 8.830 1.00 0.00 O ATOM 682 CB THR A 42 1.913 -10.799 7.210 1.00 0.00 C ATOM 683 OG1 THR A 42 2.461 -11.378 8.384 1.00 0.00 O ATOM 684 CG2 THR A 42 2.184 -9.293 7.219 1.00 0.00 C ATOM 0 HA THR A 42 0.199 -11.973 7.778 1.00 0.00 H new ATOM 0 HB THR A 42 2.380 -11.223 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.421 -11.187 8.426 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.259 -9.117 7.264 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.780 -8.845 6.311 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.706 -8.842 8.089 1.00 0.00 H new ATOM 692 N ILE A 43 -0.830 -9.062 6.748 1.00 0.00 N ATOM 693 CA ILE A 43 -1.595 -7.895 7.149 1.00 0.00 C ATOM 694 C ILE A 43 -2.743 -7.628 6.184 1.00 0.00 C ATOM 695 O ILE A 43 -2.742 -8.064 5.050 1.00 0.00 O ATOM 696 CB ILE A 43 -0.651 -6.678 7.206 1.00 0.00 C ATOM 697 CG1 ILE A 43 -0.757 -6.024 8.583 1.00 0.00 C ATOM 698 CG2 ILE A 43 -0.984 -5.617 6.123 1.00 0.00 C ATOM 699 CD1 ILE A 43 -0.140 -4.627 8.519 1.00 0.00 C ATOM 0 H ILE A 43 -0.642 -9.138 5.748 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.030 -8.076 8.132 1.00 0.00 H new ATOM 0 HB ILE A 43 0.360 -7.041 7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.801 -5.961 8.890 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.241 -6.630 9.328 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.290 -4.781 6.207 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.893 -6.066 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.003 -5.258 6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.211 -4.153 9.498 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.908 -4.705 8.229 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.676 -4.026 7.785 1.00 0.00 H new ATOM 711 N SER A 44 -3.695 -6.864 6.635 1.00 0.00 N ATOM 712 CA SER A 44 -4.810 -6.510 5.796 1.00 0.00 C ATOM 713 C SER A 44 -5.606 -5.398 6.480 1.00 0.00 C ATOM 714 O SER A 44 -6.367 -5.640 7.396 1.00 0.00 O ATOM 715 CB SER A 44 -5.704 -7.730 5.576 1.00 0.00 C ATOM 716 OG SER A 44 -6.019 -8.314 6.833 1.00 0.00 O ATOM 0 H SER A 44 -3.725 -6.473 7.577 1.00 0.00 H new ATOM 0 HA SER A 44 -4.448 -6.164 4.828 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.618 -7.437 5.059 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.197 -8.457 4.941 1.00 0.00 H new ATOM 0 HG SER A 44 -6.279 -7.611 7.464 1.00 0.00 H new ATOM 722 N HIS A 45 -5.445 -4.179 6.039 1.00 0.00 N ATOM 723 CA HIS A 45 -6.186 -3.092 6.650 1.00 0.00 C ATOM 724 C HIS A 45 -7.244 -2.603 5.661 1.00 0.00 C ATOM 725 O HIS A 45 -6.936 -2.158 4.571 1.00 0.00 O ATOM 726 CB HIS A 45 -5.274 -1.915 7.017 1.00 0.00 C ATOM 727 CG HIS A 45 -3.829 -2.196 6.716 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.177 -2.440 5.541 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -2.849 -2.166 7.695 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -1.811 -2.557 5.774 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -1.667 -2.381 7.088 1.00 0.00 N flip ATOM 0 H HIS A 45 -4.823 -3.910 5.276 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.643 -3.466 7.566 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.591 -1.028 6.468 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.384 -1.690 8.078 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.005 -2.001 8.751 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.035 -2.749 5.048 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -0.770 -2.406 7.574 1.00 0.00 H new ATOM 739 N MET A 46 -8.486 -2.680 6.048 1.00 0.00 N ATOM 740 CA MET A 46 -9.557 -2.246 5.172 1.00 0.00 C ATOM 741 C MET A 46 -9.523 -0.726 5.005 1.00 0.00 C ATOM 742 O MET A 46 -9.690 0.019 5.941 1.00 0.00 O ATOM 743 CB MET A 46 -10.907 -2.664 5.751 1.00 0.00 C ATOM 744 CG MET A 46 -11.582 -3.662 4.809 1.00 0.00 C ATOM 745 SD MET A 46 -13.256 -4.013 5.400 1.00 0.00 S ATOM 746 CE MET A 46 -13.181 -5.814 5.237 1.00 0.00 C ATOM 0 H MET A 46 -8.789 -3.035 6.955 1.00 0.00 H new ATOM 0 HA MET A 46 -9.420 -2.715 4.198 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.769 -3.113 6.735 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.543 -1.789 5.886 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.620 -3.256 3.798 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.001 -4.583 4.761 1.00 0.00 H new ATOM 0 HE1 MET A 46 -14.129 -6.248 5.554 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.991 -6.078 4.197 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.377 -6.203 5.862 1.00 0.00 H new ATOM 756 N TYR A 47 -9.266 -0.277 3.813 1.00 0.00 N ATOM 757 CA TYR A 47 -9.190 1.149 3.554 1.00 0.00 C ATOM 758 C TYR A 47 -10.311 1.911 4.326 1.00 0.00 C ATOM 759 O TYR A 47 -10.054 2.916 4.955 1.00 0.00 O ATOM 760 CB TYR A 47 -9.293 1.382 2.037 1.00 0.00 C ATOM 761 CG TYR A 47 -7.927 1.217 1.357 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.725 1.194 2.099 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.863 1.107 -0.044 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.497 1.069 1.439 1.00 0.00 C ATOM 765 CE2 TYR A 47 -6.636 0.979 -0.688 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.454 0.962 0.048 1.00 0.00 C ATOM 767 OH TYR A 47 -4.242 0.840 -0.599 1.00 0.00 O ATOM 0 H TYR A 47 -9.104 -0.869 2.998 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.236 1.539 3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.005 0.678 1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.679 2.383 1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.754 1.273 3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.774 1.122 -0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.579 1.055 2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.600 0.892 -1.764 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.267 0.065 -1.198 1.00 0.00 H new ATOM 777 N ALA A 48 -11.531 1.423 4.341 1.00 0.00 N ATOM 778 CA ALA A 48 -12.582 2.104 5.114 1.00 0.00 C ATOM 779 C ALA A 48 -12.268 1.926 6.612 1.00 0.00 C ATOM 780 O ALA A 48 -12.419 2.816 7.425 1.00 0.00 O ATOM 781 CB ALA A 48 -13.944 1.497 4.775 1.00 0.00 C ATOM 0 H ALA A 48 -11.829 0.582 3.847 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.612 3.166 4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.721 2.003 5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.142 1.619 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.942 0.436 5.024 1.00 0.00 H new ATOM 787 N ASP A 49 -11.770 0.766 6.924 1.00 0.00 N ATOM 788 CA ASP A 49 -11.336 0.393 8.271 1.00 0.00 C ATOM 789 C ASP A 49 -10.127 1.251 8.690 1.00 0.00 C ATOM 790 O ASP A 49 -9.647 1.171 9.803 1.00 0.00 O ATOM 791 CB ASP A 49 -10.942 -1.084 8.301 1.00 0.00 C ATOM 792 CG ASP A 49 -12.193 -1.948 8.137 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.076 -1.544 7.399 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.247 -3.000 8.753 1.00 0.00 O ATOM 0 H ASP A 49 -11.644 0.020 6.240 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.159 0.563 8.965 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.232 -1.298 7.503 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.445 -1.320 9.242 1.00 0.00 H new ATOM 799 N ILE A 50 -9.657 2.083 7.804 1.00 0.00 N ATOM 800 CA ILE A 50 -8.541 2.936 8.136 1.00 0.00 C ATOM 801 C ILE A 50 -8.777 4.333 7.559 1.00 0.00 C ATOM 802 O ILE A 50 -9.206 4.461 6.432 1.00 0.00 O ATOM 803 CB ILE A 50 -7.275 2.349 7.532 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.554 1.956 6.067 1.00 0.00 C ATOM 805 CG2 ILE A 50 -6.852 1.133 8.357 1.00 0.00 C ATOM 806 CD1 ILE A 50 -6.835 0.657 5.702 1.00 0.00 C ATOM 0 H ILE A 50 -10.020 2.192 6.857 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.439 3.005 9.219 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.465 3.079 7.546 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.627 1.837 5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.226 2.756 5.403 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.944 0.703 7.933 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.662 1.439 9.386 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.648 0.388 8.341 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.048 0.402 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.760 0.788 5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.183 -0.146 6.351 1.00 0.00 H new ATOM 818 N LYS A 51 -8.484 5.399 8.272 1.00 0.00 N ATOM 819 CA LYS A 51 -8.700 6.679 7.641 1.00 0.00 C ATOM 820 C LYS A 51 -7.697 7.732 8.081 1.00 0.00 C ATOM 821 O LYS A 51 -7.796 8.343 9.127 1.00 0.00 O ATOM 822 CB LYS A 51 -10.094 7.199 7.919 1.00 0.00 C ATOM 823 CG LYS A 51 -10.524 7.987 6.685 1.00 0.00 C ATOM 824 CD LYS A 51 -9.642 9.232 6.538 1.00 0.00 C ATOM 825 CE LYS A 51 -9.708 10.063 7.821 1.00 0.00 C ATOM 826 NZ LYS A 51 -10.074 11.467 7.484 1.00 0.00 N ATOM 0 H LYS A 51 -8.120 5.411 9.225 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.570 6.503 6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.782 6.376 8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.100 7.834 8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.441 7.363 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.571 8.279 6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.612 8.938 6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.976 9.828 5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.443 9.638 8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.746 10.039 8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.119 12.033 8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.357 11.869 6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.002 11.481 7.014 1.00 0.00 H new ATOM 840 N CYS A 52 -6.784 7.977 7.207 1.00 0.00 N ATOM 841 CA CYS A 52 -5.783 8.998 7.380 1.00 0.00 C ATOM 842 C CYS A 52 -4.826 8.832 6.220 1.00 0.00 C ATOM 843 O CYS A 52 -4.433 7.724 5.913 1.00 0.00 O ATOM 844 CB CYS A 52 -5.048 8.854 8.697 1.00 0.00 C ATOM 845 SG CYS A 52 -4.260 10.427 9.124 1.00 0.00 S ATOM 0 H CYS A 52 -6.702 7.467 6.328 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.241 9.987 7.399 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.743 8.558 9.483 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.297 8.067 8.622 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.814 10.372 10.344 1.00 0.00 H new ATOM 851 N GLN A 53 -4.478 9.869 5.537 1.00 0.00 N ATOM 852 CA GLN A 53 -3.617 9.653 4.400 1.00 0.00 C ATOM 853 C GLN A 53 -2.613 10.780 4.219 1.00 0.00 C ATOM 854 O GLN A 53 -2.947 11.939 4.069 1.00 0.00 O ATOM 855 CB GLN A 53 -4.476 9.547 3.141 1.00 0.00 C ATOM 856 CG GLN A 53 -5.369 8.310 3.235 1.00 0.00 C ATOM 857 CD GLN A 53 -6.611 8.632 4.067 1.00 0.00 C ATOM 858 OE1 GLN A 53 -6.780 9.746 4.523 1.00 0.00 O ATOM 859 NE2 GLN A 53 -7.494 7.696 4.288 1.00 0.00 N ATOM 0 H GLN A 53 -4.753 10.833 5.723 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.059 8.733 4.573 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.088 10.442 3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.840 9.483 2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.663 7.985 2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.819 7.486 3.690 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.353 6.761 3.906 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.325 7.900 4.843 1.00 0.00 H new ATOM 868 N LYS A 54 -1.369 10.402 4.207 1.00 0.00 N ATOM 869 CA LYS A 54 -0.293 11.338 4.014 1.00 0.00 C ATOM 870 C LYS A 54 0.494 10.851 2.794 1.00 0.00 C ATOM 871 O LYS A 54 1.031 9.761 2.794 1.00 0.00 O ATOM 872 CB LYS A 54 0.588 11.347 5.279 1.00 0.00 C ATOM 873 CG LYS A 54 2.071 11.482 4.915 1.00 0.00 C ATOM 874 CD LYS A 54 2.796 12.272 6.007 1.00 0.00 C ATOM 875 CE LYS A 54 2.327 13.727 5.984 1.00 0.00 C ATOM 876 NZ LYS A 54 1.911 14.136 7.356 1.00 0.00 N ATOM 0 H LYS A 54 -1.068 9.435 4.331 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.650 12.354 3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.292 12.172 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.431 10.427 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.521 10.495 4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.176 11.988 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.596 11.830 6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.874 12.224 5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.129 14.373 5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.494 13.841 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.592 15.126 7.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.133 13.526 7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.718 14.042 8.006 1.00 0.00 H new ATOM 988 N LYS A 62 11.903 7.413 -2.124 1.00 0.00 N ATOM 989 CA LYS A 62 11.638 6.386 -3.112 1.00 0.00 C ATOM 990 C LYS A 62 10.251 5.776 -2.932 1.00 0.00 C ATOM 991 O LYS A 62 10.121 4.570 -2.939 1.00 0.00 O ATOM 992 CB LYS A 62 12.667 5.250 -2.992 1.00 0.00 C ATOM 993 CG LYS A 62 13.302 5.267 -1.594 1.00 0.00 C ATOM 994 CD LYS A 62 14.606 6.054 -1.616 1.00 0.00 C ATOM 995 CE LYS A 62 15.768 5.128 -1.256 1.00 0.00 C ATOM 996 NZ LYS A 62 16.779 5.884 -0.466 1.00 0.00 N ATOM 0 HA LYS A 62 11.701 6.865 -4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.184 4.289 -3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.439 5.364 -3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.611 5.714 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.491 4.247 -1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.765 6.487 -2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.555 6.882 -0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.404 4.277 -0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.223 4.729 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.570 5.254 -0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.134 6.682 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.340 6.244 0.405 1.00 0.00 H new ATOM 1010 N ILE A 63 9.206 6.549 -2.748 1.00 0.00 N ATOM 1011 CA ILE A 63 7.871 6.005 -2.575 1.00 0.00 C ATOM 1012 C ILE A 63 7.633 5.490 -1.147 1.00 0.00 C ATOM 1013 O ILE A 63 7.759 4.326 -0.820 1.00 0.00 O ATOM 1014 CB ILE A 63 7.373 5.055 -3.709 1.00 0.00 C ATOM 1015 CG1 ILE A 63 6.855 3.722 -3.149 1.00 0.00 C ATOM 1016 CG2 ILE A 63 8.441 4.798 -4.787 1.00 0.00 C ATOM 1017 CD1 ILE A 63 5.612 3.295 -3.921 1.00 0.00 C ATOM 0 H ILE A 63 9.252 7.567 -2.713 1.00 0.00 H new ATOM 0 HA ILE A 63 7.204 6.858 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 63 6.545 5.577 -4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.627 2.957 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.620 3.827 -2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.036 4.131 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.727 5.743 -5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.317 4.338 -4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.244 2.349 -3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.840 4.057 -3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.862 3.173 -4.975 1.00 0.00 H new ATOM 1029 N GLN A 64 7.287 6.416 -0.303 1.00 0.00 N ATOM 1030 CA GLN A 64 6.997 6.100 1.081 1.00 0.00 C ATOM 1031 C GLN A 64 5.579 6.609 1.380 1.00 0.00 C ATOM 1032 O GLN A 64 5.237 7.722 1.039 1.00 0.00 O ATOM 1033 CB GLN A 64 8.004 6.786 2.003 1.00 0.00 C ATOM 1034 CG GLN A 64 7.731 8.289 2.020 1.00 0.00 C ATOM 1035 CD GLN A 64 8.696 8.975 2.989 1.00 0.00 C ATOM 1036 OE1 GLN A 64 9.933 8.567 3.058 1.00 0.00 O flip ATOM 1037 NE2 GLN A 64 8.319 9.893 3.690 1.00 0.00 N flip ATOM 0 H GLN A 64 7.196 7.404 -0.541 1.00 0.00 H new ATOM 0 HA GLN A 64 7.066 5.025 1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.927 6.379 3.011 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.020 6.593 1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.851 8.702 1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.701 8.478 2.322 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.352 10.212 3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.970 10.345 4.332 1.00 0.00 H new ATOM 1046 N LEU A 65 4.738 5.819 1.993 1.00 0.00 N ATOM 1047 CA LEU A 65 3.385 6.299 2.249 1.00 0.00 C ATOM 1048 C LEU A 65 2.985 6.087 3.710 1.00 0.00 C ATOM 1049 O LEU A 65 3.602 5.328 4.437 1.00 0.00 O ATOM 1050 CB LEU A 65 2.380 5.609 1.294 1.00 0.00 C ATOM 1051 CG LEU A 65 2.209 4.103 1.586 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.545 3.384 1.469 1.00 0.00 C ATOM 1053 CD2 LEU A 65 1.625 3.869 2.983 1.00 0.00 C ATOM 0 H LEU A 65 4.943 4.874 2.318 1.00 0.00 H new ATOM 0 HA LEU A 65 3.365 7.372 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.411 6.102 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.717 5.738 0.265 1.00 0.00 H new ATOM 0 HG LEU A 65 1.514 3.702 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.407 2.323 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.937 3.507 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.249 3.806 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.517 2.799 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.293 4.293 3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.649 4.348 3.054 1.00 0.00 H new ATOM 1065 N GLN A 66 1.943 6.761 4.136 1.00 0.00 N ATOM 1066 CA GLN A 66 1.486 6.628 5.507 1.00 0.00 C ATOM 1067 C GLN A 66 -0.040 6.802 5.572 1.00 0.00 C ATOM 1068 O GLN A 66 -0.590 7.783 5.114 1.00 0.00 O ATOM 1069 CB GLN A 66 2.158 7.693 6.374 1.00 0.00 C ATOM 1070 CG GLN A 66 3.128 7.021 7.347 1.00 0.00 C ATOM 1071 CD GLN A 66 4.035 8.078 7.977 1.00 0.00 C ATOM 1072 OE1 GLN A 66 4.021 8.271 9.176 1.00 0.00 O ATOM 1073 NE2 GLN A 66 4.831 8.776 7.213 1.00 0.00 N ATOM 0 H GLN A 66 1.397 7.403 3.562 1.00 0.00 H new ATOM 0 HA GLN A 66 1.748 5.636 5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.692 8.405 5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.405 8.257 6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.574 6.493 8.123 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.728 6.277 6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.843 8.614 6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.441 9.483 7.623 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.714 5.841 6.139 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.158 5.893 6.254 1.00 0.00 C ATOM 1084 C LEU A 67 -2.489 5.576 7.705 1.00 0.00 C ATOM 1085 O LEU A 67 -1.716 4.929 8.383 1.00 0.00 O ATOM 1086 CB LEU A 67 -2.759 4.839 5.315 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.268 4.733 5.524 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.964 4.629 4.166 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -4.573 3.482 6.347 1.00 0.00 C ATOM 0 H LEU A 67 -0.289 5.002 6.534 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.563 6.867 5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.547 5.104 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.292 3.871 5.499 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.629 5.617 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.041 4.553 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.741 5.516 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.607 3.743 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.649 3.400 6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.214 2.601 5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.074 3.551 7.313 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.602 6.014 8.215 1.00 0.00 N ATOM 1102 CA VAL A 68 -3.872 5.703 9.598 1.00 0.00 C ATOM 1103 C VAL A 68 -5.227 5.071 9.770 1.00 0.00 C ATOM 1104 O VAL A 68 -6.107 5.153 8.943 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.754 6.926 10.503 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.531 6.467 11.938 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.549 7.746 10.095 1.00 0.00 C ATOM 0 H VAL A 68 -4.311 6.562 7.728 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.108 4.986 9.900 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.666 7.517 10.419 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.446 7.337 12.589 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.373 5.854 12.259 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.614 5.881 11.994 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.467 8.619 10.743 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.648 7.139 10.187 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.663 8.071 9.061 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.332 4.381 10.843 1.00 0.00 N ATOM 1118 CA LEU A 69 -6.511 3.638 11.172 1.00 0.00 C ATOM 1119 C LEU A 69 -7.478 4.529 11.939 1.00 0.00 C ATOM 1120 O LEU A 69 -7.057 5.376 12.699 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.039 2.479 12.064 1.00 0.00 C ATOM 1122 CG LEU A 69 -4.926 1.639 11.362 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -5.393 0.221 11.098 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -4.491 2.222 10.016 1.00 0.00 C ATOM 0 H LEU A 69 -4.590 4.309 11.539 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.026 3.274 10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.659 2.874 13.006 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.885 1.836 12.306 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.083 1.658 12.053 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.596 -0.339 10.608 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.647 -0.260 12.042 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.271 0.241 10.453 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.716 1.592 9.580 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.347 2.262 9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.099 3.228 10.165 1.00 0.00 H new ATOM 1136 N HIS A 70 -8.770 4.337 11.781 1.00 0.00 N ATOM 1137 CA HIS A 70 -9.705 5.151 12.542 1.00 0.00 C ATOM 1138 C HIS A 70 -9.195 5.143 13.984 1.00 0.00 C ATOM 1139 O HIS A 70 -9.317 6.095 14.728 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.105 4.534 12.482 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.695 4.760 11.117 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -12.608 5.772 10.866 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -11.512 4.113 9.920 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -12.937 5.705 9.563 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -12.297 4.712 8.940 1.00 0.00 N ATOM 0 H HIS A 70 -9.191 3.650 11.156 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.770 6.164 12.144 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.053 3.466 12.695 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.744 4.980 13.244 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.858 3.268 9.763 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -13.634 6.373 9.079 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.368 4.449 7.957 1.00 0.00 H new ATOM 1153 N ALA A 71 -8.572 4.049 14.334 1.00 0.00 N ATOM 1154 CA ALA A 71 -7.988 3.909 15.644 1.00 0.00 C ATOM 1155 C ALA A 71 -6.657 4.667 15.651 1.00 0.00 C ATOM 1156 O ALA A 71 -6.476 5.625 14.927 1.00 0.00 O ATOM 1157 CB ALA A 71 -7.744 2.430 15.949 1.00 0.00 C ATOM 0 H ALA A 71 -8.455 3.237 13.728 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.659 4.312 16.403 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.302 2.331 16.941 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.691 1.891 15.918 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.064 2.013 15.206 1.00 0.00 H new ATOM 1163 N GLY A 72 -5.746 4.285 16.493 1.00 0.00 N ATOM 1164 CA GLY A 72 -4.479 4.998 16.588 1.00 0.00 C ATOM 1165 C GLY A 72 -3.373 4.128 16.020 1.00 0.00 C ATOM 1166 O GLY A 72 -2.361 3.869 16.641 1.00 0.00 O ATOM 0 H GLY A 72 -5.841 3.491 17.126 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.535 5.939 16.040 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.265 5.247 17.627 1.00 0.00 H new ATOM 1170 N ASP A 73 -3.597 3.668 14.843 1.00 0.00 N ATOM 1171 CA ASP A 73 -2.633 2.812 14.207 1.00 0.00 C ATOM 1172 C ASP A 73 -2.333 3.369 12.834 1.00 0.00 C ATOM 1173 O ASP A 73 -3.219 3.694 12.076 1.00 0.00 O ATOM 1174 CB ASP A 73 -3.190 1.391 14.100 1.00 0.00 C ATOM 1175 CG ASP A 73 -2.999 0.666 15.434 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -1.891 0.224 15.691 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -3.963 0.566 16.175 1.00 0.00 O ATOM 0 H ASP A 73 -4.433 3.862 14.293 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.716 2.773 14.795 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.248 1.422 13.839 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.681 0.849 13.303 1.00 0.00 H new ATOM 1182 N THR A 74 -1.084 3.500 12.517 1.00 0.00 N ATOM 1183 CA THR A 74 -0.730 4.048 11.238 1.00 0.00 C ATOM 1184 C THR A 74 -0.186 2.934 10.369 1.00 0.00 C ATOM 1185 O THR A 74 0.177 1.879 10.850 1.00 0.00 O ATOM 1186 CB THR A 74 0.339 5.127 11.421 1.00 0.00 C ATOM 1187 OG1 THR A 74 0.039 5.897 12.576 1.00 0.00 O ATOM 1188 CG2 THR A 74 0.365 6.035 10.191 1.00 0.00 C ATOM 0 H THR A 74 -0.299 3.240 13.114 1.00 0.00 H new ATOM 0 HA THR A 74 -1.606 4.493 10.767 1.00 0.00 H new ATOM 0 HB THR A 74 1.315 4.656 11.542 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.724 6.588 12.696 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.127 6.803 10.322 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.596 5.442 9.306 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.609 6.508 10.067 1.00 0.00 H new ATOM 1196 N THR A 75 -0.101 3.159 9.098 1.00 0.00 N ATOM 1197 CA THR A 75 0.428 2.154 8.225 1.00 0.00 C ATOM 1198 C THR A 75 1.472 2.849 7.362 1.00 0.00 C ATOM 1199 O THR A 75 1.143 3.654 6.513 1.00 0.00 O ATOM 1200 CB THR A 75 -0.688 1.591 7.342 1.00 0.00 C ATOM 1201 OG1 THR A 75 -1.771 1.172 8.161 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.159 0.400 6.543 1.00 0.00 C ATOM 0 H THR A 75 -0.388 4.024 8.640 1.00 0.00 H new ATOM 0 HA THR A 75 0.861 1.325 8.785 1.00 0.00 H new ATOM 0 HB THR A 75 -1.030 2.363 6.653 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.487 0.812 7.597 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.955 0.001 5.915 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.671 0.723 5.915 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.185 -0.374 7.229 1.00 0.00 H new ATOM 1210 N ASN A 76 2.720 2.559 7.557 1.00 0.00 N ATOM 1211 CA ASN A 76 3.730 3.201 6.753 1.00 0.00 C ATOM 1212 C ASN A 76 4.308 2.155 5.824 1.00 0.00 C ATOM 1213 O ASN A 76 4.536 1.030 6.221 1.00 0.00 O ATOM 1214 CB ASN A 76 4.835 3.755 7.652 1.00 0.00 C ATOM 1215 CG ASN A 76 4.234 4.752 8.644 1.00 0.00 C ATOM 1216 OD1 ASN A 76 3.077 4.650 9.000 1.00 0.00 O ATOM 1217 ND2 ASN A 76 4.976 5.719 9.109 1.00 0.00 N ATOM 0 H ASN A 76 3.067 1.896 8.250 1.00 0.00 H new ATOM 0 HA ASN A 76 3.299 4.026 6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.324 2.942 8.189 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.600 4.243 7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.585 6.389 9.771 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.948 5.805 8.810 1.00 0.00 H new ATOM 1224 N PHE A 77 4.542 2.484 4.594 1.00 0.00 N ATOM 1225 CA PHE A 77 5.077 1.477 3.719 1.00 0.00 C ATOM 1226 C PHE A 77 6.086 2.081 2.744 1.00 0.00 C ATOM 1227 O PHE A 77 5.988 3.221 2.335 1.00 0.00 O ATOM 1228 CB PHE A 77 3.938 0.787 2.984 1.00 0.00 C ATOM 1229 CG PHE A 77 3.939 -0.655 3.401 1.00 0.00 C ATOM 1230 CD1 PHE A 77 5.100 -1.393 3.217 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.803 -1.258 3.963 1.00 0.00 C ATOM 1232 CE1 PHE A 77 5.151 -2.729 3.581 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.850 -2.603 4.331 1.00 0.00 C ATOM 1234 CZ PHE A 77 4.032 -3.337 4.136 1.00 0.00 C ATOM 0 H PHE A 77 4.381 3.402 4.179 1.00 0.00 H new ATOM 0 HA PHE A 77 5.610 0.734 4.312 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.985 1.256 3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.069 0.874 1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.971 -0.922 2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.899 -0.685 4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.058 -3.296 3.434 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.982 -3.078 4.764 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.071 -4.379 4.419 1.00 0.00 H new ATOM 1244 N HIS A 78 7.101 1.330 2.436 1.00 0.00 N ATOM 1245 CA HIS A 78 8.138 1.868 1.578 1.00 0.00 C ATOM 1246 C HIS A 78 8.716 0.802 0.659 1.00 0.00 C ATOM 1247 O HIS A 78 8.669 -0.366 0.935 1.00 0.00 O ATOM 1248 CB HIS A 78 9.274 2.441 2.431 1.00 0.00 C ATOM 1249 CG HIS A 78 10.360 2.885 1.504 1.00 0.00 C ATOM 1250 ND1 HIS A 78 11.240 1.972 0.978 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.700 4.103 0.949 1.00 0.00 C ATOM 1252 CE1 HIS A 78 12.051 2.622 0.152 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.776 3.925 0.093 1.00 0.00 N ATOM 0 H HIS A 78 7.241 0.370 2.750 1.00 0.00 H new ATOM 0 HA HIS A 78 7.684 2.649 0.968 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.917 3.278 3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.648 1.688 3.125 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.266 0.974 1.185 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.207 5.043 1.149 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.844 2.149 -0.409 1.00 0.00 H new ATOM 1261 N PHE A 79 9.283 1.226 -0.430 1.00 0.00 N ATOM 1262 CA PHE A 79 9.874 0.290 -1.366 1.00 0.00 C ATOM 1263 C PHE A 79 11.113 0.943 -2.012 1.00 0.00 C ATOM 1264 O PHE A 79 11.097 2.124 -2.294 1.00 0.00 O ATOM 1265 CB PHE A 79 8.881 -0.015 -2.478 1.00 0.00 C ATOM 1266 CG PHE A 79 7.434 0.169 -2.043 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.955 1.421 -1.611 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.549 -0.910 -2.139 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.598 1.576 -1.281 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.205 -0.750 -1.796 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.732 0.486 -1.372 1.00 0.00 C ATOM 0 H PHE A 79 9.354 2.207 -0.700 1.00 0.00 H new ATOM 0 HA PHE A 79 10.144 -0.623 -0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 79 9.085 0.634 -3.329 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.026 -1.041 -2.817 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.630 2.261 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.907 -1.870 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.226 2.537 -0.958 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.530 -1.591 -1.861 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.690 0.603 -1.112 1.00 0.00 H new ATOM 1346 N ALA A 85 13.221 0.951 -7.367 1.00 0.00 N ATOM 1347 CA ALA A 85 12.589 2.047 -6.652 1.00 0.00 C ATOM 1348 C ALA A 85 11.960 2.995 -7.682 1.00 0.00 C ATOM 1349 O ALA A 85 12.383 4.125 -7.815 1.00 0.00 O ATOM 1350 CB ALA A 85 13.621 2.793 -5.805 1.00 0.00 C ATOM 0 HA ALA A 85 11.820 1.661 -5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.134 3.611 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 85 14.064 2.107 -5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.402 3.194 -6.452 1.00 0.00 H new ATOM 1356 N VAL A 86 10.986 2.567 -8.425 1.00 0.00 N ATOM 1357 CA VAL A 86 10.421 3.477 -9.417 1.00 0.00 C ATOM 1358 C VAL A 86 8.952 3.155 -9.743 1.00 0.00 C ATOM 1359 O VAL A 86 8.174 2.816 -8.876 1.00 0.00 O ATOM 1360 CB VAL A 86 11.271 3.410 -10.690 1.00 0.00 C ATOM 1361 CG1 VAL A 86 12.745 3.623 -10.339 1.00 0.00 C ATOM 1362 CG2 VAL A 86 11.098 2.037 -11.345 1.00 0.00 C ATOM 0 H VAL A 86 10.569 1.637 -8.382 1.00 0.00 H new ATOM 0 HA VAL A 86 10.436 4.484 -9.000 1.00 0.00 H new ATOM 0 HB VAL A 86 10.948 4.189 -11.380 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.346 3.575 -11.247 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.870 4.600 -9.873 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.070 2.846 -9.647 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.702 1.987 -12.251 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.419 1.260 -10.652 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.049 1.885 -11.599 1.00 0.00 H new ATOM 1372 N LYS A 87 8.579 3.286 -11.008 1.00 0.00 N ATOM 1373 CA LYS A 87 7.208 3.029 -11.437 1.00 0.00 C ATOM 1374 C LYS A 87 6.602 1.894 -10.622 1.00 0.00 C ATOM 1375 O LYS A 87 5.493 1.986 -10.154 1.00 0.00 O ATOM 1376 CB LYS A 87 7.205 2.645 -12.919 1.00 0.00 C ATOM 1377 CG LYS A 87 7.489 3.884 -13.771 1.00 0.00 C ATOM 1378 CD LYS A 87 6.178 4.616 -14.063 1.00 0.00 C ATOM 1379 CE LYS A 87 5.230 3.684 -14.821 1.00 0.00 C ATOM 1380 NZ LYS A 87 4.097 3.298 -13.934 1.00 0.00 N ATOM 0 H LYS A 87 9.208 3.570 -11.759 1.00 0.00 H new ATOM 0 HA LYS A 87 6.615 3.931 -11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.958 1.880 -13.108 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.241 2.217 -13.192 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.179 4.547 -13.249 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.971 3.593 -14.704 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.716 4.942 -13.131 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.373 5.512 -14.653 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.853 4.181 -15.715 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.766 2.794 -15.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.715 2.380 -14.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.434 3.225 -12.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.350 4.019 -13.991 1.00 0.00 H new ATOM 1394 N GLU A 88 7.320 0.829 -10.440 1.00 0.00 N ATOM 1395 CA GLU A 88 6.793 -0.274 -9.651 1.00 0.00 C ATOM 1396 C GLU A 88 6.153 0.286 -8.379 1.00 0.00 C ATOM 1397 O GLU A 88 4.940 0.333 -8.211 1.00 0.00 O ATOM 1398 CB GLU A 88 7.943 -1.203 -9.227 1.00 0.00 C ATOM 1399 CG GLU A 88 9.277 -0.449 -9.216 1.00 0.00 C ATOM 1400 CD GLU A 88 10.093 -0.850 -10.446 1.00 0.00 C ATOM 1401 OE1 GLU A 88 9.794 -0.353 -11.519 1.00 0.00 O ATOM 1402 OE2 GLU A 88 11.002 -1.649 -10.295 1.00 0.00 O ATOM 0 H GLU A 88 8.258 0.687 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 88 6.063 -0.823 -10.247 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.742 -1.609 -8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.004 -2.049 -9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.100 0.627 -9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.831 -0.680 -8.306 1.00 0.00 H new ATOM 1409 N ARG A 89 6.984 0.724 -7.490 1.00 0.00 N ATOM 1410 CA ARG A 89 6.511 1.284 -6.248 1.00 0.00 C ATOM 1411 C ARG A 89 5.708 2.544 -6.564 1.00 0.00 C ATOM 1412 O ARG A 89 4.567 2.689 -6.178 1.00 0.00 O ATOM 1413 CB ARG A 89 7.708 1.638 -5.349 1.00 0.00 C ATOM 1414 CG ARG A 89 8.878 0.683 -5.618 1.00 0.00 C ATOM 1415 CD ARG A 89 8.378 -0.758 -5.512 1.00 0.00 C ATOM 1416 NE ARG A 89 9.367 -1.649 -6.090 1.00 0.00 N ATOM 1417 CZ ARG A 89 9.261 -2.940 -5.934 1.00 0.00 C ATOM 1418 NH1 ARG A 89 8.289 -3.435 -5.225 1.00 0.00 N ATOM 1419 NH2 ARG A 89 10.136 -3.736 -6.479 1.00 0.00 N ATOM 0 H ARG A 89 7.999 0.708 -7.593 1.00 0.00 H new ATOM 0 HA ARG A 89 5.883 0.563 -5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.019 2.666 -5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.414 1.578 -4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.293 0.866 -6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.679 0.857 -4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.202 -1.019 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.426 -0.865 -6.032 1.00 0.00 H new ATOM 0 HE ARG A 89 10.149 -1.264 -6.621 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.608 -2.813 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.208 -4.445 -5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.904 -3.350 -7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.053 -4.745 -6.357 1.00 0.00 H new ATOM 1433 N ASP A 90 6.301 3.457 -7.267 1.00 0.00 N ATOM 1434 CA ASP A 90 5.607 4.688 -7.608 1.00 0.00 C ATOM 1435 C ASP A 90 4.244 4.378 -8.253 1.00 0.00 C ATOM 1436 O ASP A 90 3.403 5.248 -8.388 1.00 0.00 O ATOM 1437 CB ASP A 90 6.463 5.492 -8.588 1.00 0.00 C ATOM 1438 CG ASP A 90 6.410 6.976 -8.219 1.00 0.00 C ATOM 1439 OD1 ASP A 90 5.497 7.647 -8.671 1.00 0.00 O ATOM 1440 OD2 ASP A 90 7.284 7.416 -7.491 1.00 0.00 O ATOM 0 H ASP A 90 7.256 3.388 -7.620 1.00 0.00 H new ATOM 0 HA ASP A 90 5.440 5.264 -6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.493 5.137 -8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.101 5.347 -9.606 1.00 0.00 H new ATOM 1445 N ALA A 91 4.000 3.147 -8.624 1.00 0.00 N ATOM 1446 CA ALA A 91 2.729 2.803 -9.220 1.00 0.00 C ATOM 1447 C ALA A 91 1.794 2.236 -8.150 1.00 0.00 C ATOM 1448 O ALA A 91 0.611 2.518 -8.141 1.00 0.00 O ATOM 1449 CB ALA A 91 2.943 1.755 -10.313 1.00 0.00 C ATOM 0 H ALA A 91 4.655 2.371 -8.527 1.00 0.00 H new ATOM 0 HA ALA A 91 2.283 3.698 -9.654 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.984 1.496 -10.762 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.605 2.158 -11.079 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.393 0.862 -9.878 1.00 0.00 H new ATOM 1455 N VAL A 92 2.314 1.514 -7.191 1.00 0.00 N ATOM 1456 CA VAL A 92 1.436 1.029 -6.137 1.00 0.00 C ATOM 1457 C VAL A 92 1.037 2.238 -5.311 1.00 0.00 C ATOM 1458 O VAL A 92 -0.111 2.412 -4.952 1.00 0.00 O ATOM 1459 CB VAL A 92 2.141 0.002 -5.244 1.00 0.00 C ATOM 1460 CG1 VAL A 92 1.967 -1.395 -5.841 1.00 0.00 C ATOM 1461 CG2 VAL A 92 3.631 0.329 -5.128 1.00 0.00 C ATOM 0 H VAL A 92 3.297 1.253 -7.109 1.00 0.00 H new ATOM 0 HA VAL A 92 0.570 0.531 -6.573 1.00 0.00 H new ATOM 0 HB VAL A 92 1.697 0.035 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.468 -2.127 -5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.905 -1.635 -5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.403 -1.421 -6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.117 -0.410 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.086 0.309 -6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.753 1.321 -4.692 1.00 0.00 H new ATOM 1471 N LYS A 93 1.970 3.117 -5.077 1.00 0.00 N ATOM 1472 CA LYS A 93 1.650 4.330 -4.369 1.00 0.00 C ATOM 1473 C LYS A 93 0.661 5.075 -5.255 1.00 0.00 C ATOM 1474 O LYS A 93 -0.483 5.297 -4.881 1.00 0.00 O ATOM 1475 CB LYS A 93 2.919 5.162 -4.166 1.00 0.00 C ATOM 1476 CG LYS A 93 2.555 6.588 -3.742 1.00 0.00 C ATOM 1477 CD LYS A 93 3.508 7.575 -4.417 1.00 0.00 C ATOM 1478 CE LYS A 93 3.447 7.392 -5.934 1.00 0.00 C ATOM 1479 NZ LYS A 93 3.875 8.652 -6.604 1.00 0.00 N ATOM 0 H LYS A 93 2.945 3.022 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 93 1.229 4.130 -3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.549 4.699 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.498 5.186 -5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.525 6.811 -4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.620 6.685 -2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.236 8.597 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.526 7.414 -4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.093 6.568 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.434 7.131 -6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.435 8.423 -7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.036 9.199 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.453 9.215 -5.948 1.00 0.00 H new ATOM 1493 N ASP A 94 1.089 5.420 -6.457 1.00 0.00 N ATOM 1494 CA ASP A 94 0.213 6.104 -7.394 1.00 0.00 C ATOM 1495 C ASP A 94 -1.170 5.455 -7.369 1.00 0.00 C ATOM 1496 O ASP A 94 -2.162 6.081 -7.688 1.00 0.00 O ATOM 1497 CB ASP A 94 0.793 6.004 -8.805 1.00 0.00 C ATOM 1498 CG ASP A 94 -0.145 6.701 -9.792 1.00 0.00 C ATOM 1499 OD1 ASP A 94 -0.992 7.456 -9.341 1.00 0.00 O ATOM 1500 OD2 ASP A 94 -0.002 6.469 -10.981 1.00 0.00 O ATOM 0 H ASP A 94 2.030 5.240 -6.806 1.00 0.00 H new ATOM 0 HA ASP A 94 0.129 7.152 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.780 6.465 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.920 4.958 -9.084 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.257 4.215 -6.963 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.549 3.573 -6.889 1.00 0.00 C ATOM 1507 C LEU A 95 -3.134 3.833 -5.498 1.00 0.00 C ATOM 1508 O LEU A 95 -4.300 4.144 -5.345 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.369 2.081 -7.128 1.00 0.00 C ATOM 1510 CG LEU A 95 -2.248 1.854 -8.630 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -1.118 0.881 -8.927 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -3.538 1.251 -9.136 1.00 0.00 C ATOM 0 H LEU A 95 -0.466 3.636 -6.682 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.229 3.968 -7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.478 1.718 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.217 1.526 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.045 2.807 -9.118 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.043 0.728 -10.004 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.179 1.288 -8.552 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.321 -0.072 -8.438 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.464 1.083 -10.211 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.718 0.301 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.363 1.933 -8.931 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.322 3.704 -4.486 1.00 0.00 N ATOM 1525 CA LEU A 96 -2.775 3.946 -3.125 1.00 0.00 C ATOM 1526 C LEU A 96 -3.688 5.180 -3.090 1.00 0.00 C ATOM 1527 O LEU A 96 -4.842 5.121 -2.699 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.545 4.231 -2.259 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.655 2.983 -2.135 1.00 0.00 C ATOM 1530 CD1 LEU A 96 0.137 3.056 -0.835 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.512 1.714 -2.134 1.00 0.00 C ATOM 0 H LEU A 96 -1.342 3.433 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.323 3.078 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.971 5.049 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.861 4.556 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 96 0.026 2.949 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.769 2.173 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.761 3.950 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.552 3.098 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.867 0.840 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.203 1.742 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.077 1.656 -3.064 1.00 0.00 H new ATOM 1543 N GLN A 97 -3.166 6.300 -3.503 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.959 7.532 -3.509 1.00 0.00 C ATOM 1545 C GLN A 97 -5.066 7.440 -4.565 1.00 0.00 C ATOM 1546 O GLN A 97 -5.870 8.338 -4.717 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.076 8.746 -3.813 1.00 0.00 C ATOM 1548 CG GLN A 97 -1.832 8.704 -2.931 1.00 0.00 C ATOM 1549 CD GLN A 97 -0.632 8.263 -3.764 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -0.830 7.538 -4.828 1.00 0.00 O flip ATOM 1551 NE2 GLN A 97 0.497 8.581 -3.445 1.00 0.00 N flip ATOM 0 H GLN A 97 -2.208 6.403 -3.839 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.402 7.653 -2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.789 8.746 -4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.631 9.667 -3.634 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.646 9.687 -2.499 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.985 8.014 -2.101 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.651 9.149 -2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.291 8.280 -4.011 1.00 0.00 H new ATOM 1560 N GLN A 98 -5.129 6.351 -5.272 1.00 0.00 N ATOM 1561 CA GLN A 98 -6.160 6.177 -6.265 1.00 0.00 C ATOM 1562 C GLN A 98 -7.375 5.527 -5.591 1.00 0.00 C ATOM 1563 O GLN A 98 -8.507 5.878 -5.860 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.632 5.278 -7.383 1.00 0.00 C ATOM 1565 CG GLN A 98 -6.402 5.557 -8.675 1.00 0.00 C ATOM 1566 CD GLN A 98 -7.053 4.266 -9.173 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -7.979 3.765 -8.566 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -6.606 3.701 -10.261 1.00 0.00 N ATOM 0 H GLN A 98 -4.482 5.568 -5.184 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.449 7.137 -6.692 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.568 5.458 -7.536 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.741 4.230 -7.102 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.164 6.316 -8.499 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.727 5.952 -9.434 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.829 4.121 -10.771 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.034 2.840 -10.601 1.00 0.00 H new ATOM 1577 N LEU A 99 -7.148 4.593 -4.698 1.00 0.00 N ATOM 1578 CA LEU A 99 -8.269 3.957 -4.010 1.00 0.00 C ATOM 1579 C LEU A 99 -8.679 4.826 -2.823 1.00 0.00 C ATOM 1580 O LEU A 99 -9.792 4.751 -2.343 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.882 2.576 -3.454 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.602 2.070 -4.093 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.463 2.388 -3.146 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.689 0.557 -4.299 1.00 0.00 C ATOM 0 H LEU A 99 -6.224 4.256 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.079 3.842 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.753 2.639 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.689 1.867 -3.638 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.444 2.544 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.524 2.037 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.410 3.465 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.634 1.891 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.768 0.199 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.829 0.066 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.532 0.326 -4.950 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.772 5.627 -2.327 1.00 0.00 N ATOM 1597 CA LEU A 100 -8.078 6.455 -1.177 1.00 0.00 C ATOM 1598 C LEU A 100 -9.448 7.089 -1.386 1.00 0.00 C ATOM 1599 O LEU A 100 -10.329 6.967 -0.559 1.00 0.00 O ATOM 1600 CB LEU A 100 -7.004 7.535 -1.008 1.00 0.00 C ATOM 1601 CG LEU A 100 -5.772 6.937 -0.321 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -4.811 8.062 0.066 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -6.197 6.176 0.938 1.00 0.00 C ATOM 0 H LEU A 100 -6.825 5.727 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.092 5.848 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.728 7.942 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.396 8.362 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.276 6.249 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.934 7.639 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.503 8.601 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.311 8.749 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.317 5.753 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.696 6.859 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.881 5.373 0.664 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.587 7.709 -2.517 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.888 8.316 -2.850 1.00 0.00 C ATOM 1617 C PRO A 101 -12.038 7.335 -2.569 1.00 0.00 C ATOM 1618 O PRO A 101 -13.104 7.713 -2.124 1.00 0.00 O ATOM 1619 CB PRO A 101 -10.780 8.590 -4.349 1.00 0.00 C ATOM 1620 CG PRO A 101 -9.285 8.645 -4.697 1.00 0.00 C ATOM 1621 CD PRO A 101 -8.542 8.001 -3.530 1.00 0.00 C ATOM 0 HA PRO A 101 -11.099 9.210 -2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.279 7.807 -4.920 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.269 9.530 -4.604 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.084 8.112 -5.626 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.959 9.675 -4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.031 7.090 -3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.782 8.671 -3.129 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.828 6.086 -2.867 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.860 5.075 -2.680 1.00 0.00 C ATOM 1631 C LYS A 102 -13.496 5.134 -1.284 1.00 0.00 C ATOM 1632 O LYS A 102 -14.689 4.960 -1.137 1.00 0.00 O ATOM 1633 CB LYS A 102 -12.218 3.702 -2.848 1.00 0.00 C ATOM 1634 CG LYS A 102 -13.289 2.615 -2.771 1.00 0.00 C ATOM 1635 CD LYS A 102 -13.247 1.767 -4.044 1.00 0.00 C ATOM 1636 CE LYS A 102 -14.400 2.171 -4.965 1.00 0.00 C ATOM 1637 NZ LYS A 102 -14.754 1.024 -5.849 1.00 0.00 N ATOM 0 H LYS A 102 -10.950 5.729 -3.244 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.644 5.259 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.700 3.648 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.470 3.543 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.122 1.986 -1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.274 3.067 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.294 1.906 -4.555 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.323 0.709 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.266 2.469 -4.373 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.114 3.033 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.538 1.298 -6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.928 0.760 -6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.044 0.213 -5.266 1.00 0.00 H new ATOM 1651 N PHE A 103 -12.719 5.325 -0.256 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.291 5.327 1.086 1.00 0.00 C ATOM 1653 C PHE A 103 -13.182 6.722 1.707 1.00 0.00 C ATOM 1654 O PHE A 103 -13.580 6.940 2.834 1.00 0.00 O ATOM 1655 CB PHE A 103 -12.552 4.298 1.968 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.174 4.084 1.404 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.024 3.337 0.234 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.058 4.661 2.021 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.761 3.162 -0.326 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -8.787 4.481 1.465 1.00 0.00 C ATOM 1661 CZ PHE A 103 -8.639 3.732 0.290 1.00 0.00 C ATOM 0 H PHE A 103 -11.712 5.479 -0.303 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.345 5.055 1.022 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.489 4.657 2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.101 3.357 1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -11.889 2.894 -0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -10.178 5.243 2.923 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.647 2.588 -1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.922 4.918 1.940 1.00 0.00 H new ATOM 0 HZ PHE A 103 -7.659 3.594 -0.141 1.00 0.00 H new