USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 677 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 31 TYR OH : rot -31:sc= -7.09! USER MOD Set 1.2: A 40 HIS :FLIP no HD1:sc= -32.2! C(o=-43!,f=-39!) USER MOD Set 2.1: A 29 TYR OH : rot 50:sc= -9.21! USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.133 K(o=-0.13,f=-3.4!) USER MOD Single : A 11 SER OG : rot -24:sc= -2.77! USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot -133:sc= 0.511 USER MOD Single : A 39 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.53) USER MOD Single : A 42 GLN : amide:sc= -1.84 K(o=-1.8,f=-7.6!) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 47 GLN : amide:sc= -7.88! C(o=-7.9!,f=-15!) USER MOD Single : A 48 THR OG1 : rot 102:sc= 1.24 USER MOD Single : A 49 THR OG1 : rot 131:sc= 0.343 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -116:sc= -0.134 (180deg=-2.9!) USER MOD Single : A 75 SER OG : rot -54:sc= -0.17 USER MOD Single : A 77 GLN : amide:sc= -0.138 K(o=-0.14,f=-2.3!) USER MOD Single : A 85 LYS NZ :NH3+ -154:sc= 0.547 (180deg=0.289) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N ARG A 4 -6.119 4.284 9.989 1.00 0.00 N ATOM 46 CA ARG A 4 -5.877 2.852 9.847 1.00 0.00 C ATOM 47 C ARG A 4 -4.904 2.351 10.909 1.00 0.00 C ATOM 48 O ARG A 4 -5.269 1.548 11.770 1.00 0.00 O ATOM 49 CB ARG A 4 -5.333 2.538 8.451 1.00 0.00 C ATOM 50 CG ARG A 4 -5.243 1.050 8.158 1.00 0.00 C ATOM 51 CD ARG A 4 -5.016 0.785 6.678 1.00 0.00 C ATOM 52 NE ARG A 4 -6.100 1.313 5.854 1.00 0.00 N ATOM 53 CZ ARG A 4 -6.089 1.296 4.525 1.00 0.00 C ATOM 54 NH1 ARG A 4 -5.049 0.791 3.875 1.00 0.00 N ATOM 55 NH2 ARG A 4 -7.115 1.787 3.845 1.00 0.00 N ATOM 0 HA ARG A 4 -6.828 2.337 9.983 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.973 3.009 7.705 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.343 2.982 8.347 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.428 0.613 8.736 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.161 0.559 8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.073 1.237 6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.924 -0.288 6.512 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.910 1.717 6.324 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.256 0.415 4.395 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.042 0.779 2.855 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.915 2.179 4.341 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.104 1.773 2.825 1.00 0.00 H new ATOM 69 N ASP A 5 -3.666 2.830 10.848 1.00 0.00 N ATOM 70 CA ASP A 5 -2.647 2.429 11.810 1.00 0.00 C ATOM 71 C ASP A 5 -2.991 2.960 13.195 1.00 0.00 C ATOM 72 O ASP A 5 -3.025 2.213 14.174 1.00 0.00 O ATOM 73 CB ASP A 5 -1.274 2.943 11.375 1.00 0.00 C ATOM 74 CG ASP A 5 -0.510 1.925 10.551 1.00 0.00 C ATOM 75 OD1 ASP A 5 -0.704 0.712 10.777 1.00 0.00 O ATOM 76 OD2 ASP A 5 0.281 2.341 9.678 1.00 0.00 O ATOM 0 H ASP A 5 -3.345 3.495 10.144 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.616 1.340 11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.399 3.857 10.794 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.690 3.204 12.258 1.00 0.00 H new ATOM 81 N LYS A 6 -3.252 4.259 13.262 1.00 0.00 N ATOM 82 CA LYS A 6 -3.603 4.915 14.507 1.00 0.00 C ATOM 83 C LYS A 6 -4.874 4.315 15.102 1.00 0.00 C ATOM 84 O LYS A 6 -5.049 4.289 16.320 1.00 0.00 O ATOM 85 CB LYS A 6 -3.799 6.405 14.247 1.00 0.00 C ATOM 86 CG LYS A 6 -4.630 6.696 13.005 1.00 0.00 C ATOM 87 CD LYS A 6 -6.014 7.202 13.368 1.00 0.00 C ATOM 88 CE LYS A 6 -6.054 8.720 13.444 1.00 0.00 C ATOM 89 NZ LYS A 6 -7.402 9.256 13.111 1.00 0.00 N ATOM 0 H LYS A 6 -3.226 4.883 12.455 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.796 4.767 15.224 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.282 6.857 15.113 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.823 6.880 14.142 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.120 7.438 12.390 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.718 5.791 12.405 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.734 6.855 12.627 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.316 6.781 14.327 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.773 9.041 14.447 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.317 9.138 12.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.388 10.294 13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.660 8.971 12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.101 8.878 13.781 1.00 0.00 H new ATOM 103 N GLN A 7 -5.762 3.838 14.233 1.00 0.00 N ATOM 104 CA GLN A 7 -7.018 3.244 14.673 1.00 0.00 C ATOM 105 C GLN A 7 -6.779 1.924 15.384 1.00 0.00 C ATOM 106 O GLN A 7 -7.550 1.525 16.257 1.00 0.00 O ATOM 107 CB GLN A 7 -7.958 3.047 13.484 1.00 0.00 C ATOM 108 CG GLN A 7 -8.683 4.316 13.067 1.00 0.00 C ATOM 109 CD GLN A 7 -8.973 4.362 11.580 1.00 0.00 C ATOM 110 OE1 GLN A 7 -8.917 3.341 10.894 1.00 0.00 O ATOM 111 NE2 GLN A 7 -9.286 5.549 11.073 1.00 0.00 N ATOM 0 H GLN A 7 -5.634 3.852 13.221 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.486 3.928 15.381 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.385 2.670 12.637 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.694 2.284 13.736 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.620 4.392 13.618 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.080 5.181 13.342 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.321 6.369 11.678 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.492 5.640 10.078 1.00 0.00 H new ATOM 120 N VAL A 8 -5.696 1.263 15.021 1.00 0.00 N ATOM 121 CA VAL A 8 -5.332 0.006 15.633 1.00 0.00 C ATOM 122 C VAL A 8 -4.885 0.244 17.060 1.00 0.00 C ATOM 123 O VAL A 8 -5.439 -0.312 18.009 1.00 0.00 O ATOM 124 CB VAL A 8 -4.188 -0.657 14.865 1.00 0.00 C ATOM 125 CG1 VAL A 8 -4.160 -2.141 15.141 1.00 0.00 C ATOM 126 CG2 VAL A 8 -4.313 -0.376 13.376 1.00 0.00 C ATOM 0 H VAL A 8 -5.050 1.582 14.299 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.204 -0.648 15.615 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.244 -0.233 15.207 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.340 -2.599 14.587 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.016 -2.310 16.208 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.104 -2.587 14.827 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.491 -0.855 12.845 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.261 -0.771 13.010 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.277 0.700 13.205 1.00 0.00 H new ATOM 136 N LEU A 9 -3.882 1.097 17.195 1.00 0.00 N ATOM 137 CA LEU A 9 -3.346 1.451 18.493 1.00 0.00 C ATOM 138 C LEU A 9 -4.469 1.701 19.482 1.00 0.00 C ATOM 139 O LEU A 9 -4.644 0.958 20.441 1.00 0.00 O ATOM 140 CB LEU A 9 -2.500 2.710 18.365 1.00 0.00 C ATOM 141 CG LEU A 9 -0.996 2.483 18.404 1.00 0.00 C ATOM 142 CD1 LEU A 9 -0.559 2.051 19.795 1.00 0.00 C ATOM 143 CD2 LEU A 9 -0.587 1.448 17.367 1.00 0.00 C ATOM 0 H LEU A 9 -3.421 1.559 16.411 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.734 0.626 18.856 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.753 3.205 17.428 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.770 3.394 19.170 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.498 3.423 18.165 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.519 1.893 19.805 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.819 2.827 20.515 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.064 1.123 20.063 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.492 1.298 17.409 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.093 0.505 17.575 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.866 1.798 16.373 1.00 0.00 H new ATOM 155 N ARG A 10 -5.216 2.769 19.232 1.00 0.00 N ATOM 156 CA ARG A 10 -6.331 3.161 20.092 1.00 0.00 C ATOM 157 C ARG A 10 -7.202 1.961 20.481 1.00 0.00 C ATOM 158 O ARG A 10 -7.461 1.726 21.663 1.00 0.00 O ATOM 159 CB ARG A 10 -7.166 4.250 19.395 1.00 0.00 C ATOM 160 CG ARG A 10 -8.629 3.890 19.170 1.00 0.00 C ATOM 161 CD ARG A 10 -9.377 3.741 20.486 1.00 0.00 C ATOM 162 NE ARG A 10 -10.637 4.479 20.485 1.00 0.00 N ATOM 163 CZ ARG A 10 -11.686 4.143 19.740 1.00 0.00 C ATOM 164 NH1 ARG A 10 -11.620 3.093 18.934 1.00 0.00 N ATOM 165 NH2 ARG A 10 -12.799 4.862 19.797 1.00 0.00 N ATOM 0 H ARG A 10 -5.069 3.386 18.433 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.922 3.565 21.018 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.119 5.161 19.991 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.710 4.476 18.431 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.105 4.662 18.565 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.693 2.959 18.607 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.575 2.686 20.673 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.749 4.097 21.303 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.717 5.297 21.089 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.764 2.541 18.884 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.426 2.837 18.363 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.851 5.674 20.413 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.603 4.603 19.225 1.00 0.00 H new ATOM 179 N SER A 11 -7.660 1.207 19.487 1.00 0.00 N ATOM 180 CA SER A 11 -8.500 0.045 19.750 1.00 0.00 C ATOM 181 C SER A 11 -7.809 -0.902 20.724 1.00 0.00 C ATOM 182 O SER A 11 -8.072 -0.879 21.929 1.00 0.00 O ATOM 183 CB SER A 11 -8.827 -0.686 18.446 1.00 0.00 C ATOM 184 OG SER A 11 -7.647 -1.010 17.732 1.00 0.00 O ATOM 0 H SER A 11 -7.466 1.378 18.500 1.00 0.00 H new ATOM 0 HA SER A 11 -9.431 0.390 20.199 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.384 -1.597 18.666 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.470 -0.061 17.827 1.00 0.00 H new ATOM 0 HG SER A 11 -6.929 -0.395 17.990 1.00 0.00 H new ATOM 190 N LEU A 12 -6.916 -1.730 20.197 1.00 0.00 N ATOM 191 CA LEU A 12 -6.182 -2.676 21.016 1.00 0.00 C ATOM 192 C LEU A 12 -5.595 -1.990 22.244 1.00 0.00 C ATOM 193 O LEU A 12 -5.378 -2.626 23.274 1.00 0.00 O ATOM 194 CB LEU A 12 -5.065 -3.320 20.195 1.00 0.00 C ATOM 195 CG LEU A 12 -5.307 -4.777 19.809 1.00 0.00 C ATOM 196 CD1 LEU A 12 -4.724 -5.705 20.862 1.00 0.00 C ATOM 197 CD2 LEU A 12 -6.795 -5.037 19.625 1.00 0.00 C ATOM 0 H LEU A 12 -6.685 -1.763 19.204 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.874 -3.448 21.352 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.921 -2.738 19.285 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.136 -3.259 20.762 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.806 -4.976 18.861 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.904 -6.741 20.574 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.651 -5.533 20.945 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.199 -5.508 21.823 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.951 -6.080 19.350 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.319 -4.825 20.557 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.182 -4.392 18.836 1.00 0.00 H new ATOM 209 N ARG A 13 -5.342 -0.688 22.135 1.00 0.00 N ATOM 210 CA ARG A 13 -4.777 0.065 23.250 1.00 0.00 C ATOM 211 C ARG A 13 -5.518 -0.268 24.540 1.00 0.00 C ATOM 212 O ARG A 13 -4.959 -0.881 25.447 1.00 0.00 O ATOM 213 CB ARG A 13 -4.819 1.577 22.962 1.00 0.00 C ATOM 214 CG ARG A 13 -5.303 2.426 24.127 1.00 0.00 C ATOM 215 CD ARG A 13 -4.785 3.854 24.037 1.00 0.00 C ATOM 216 NE ARG A 13 -5.622 4.786 24.787 1.00 0.00 N ATOM 217 CZ ARG A 13 -5.592 6.104 24.618 1.00 0.00 C ATOM 218 NH1 ARG A 13 -4.770 6.642 23.728 1.00 0.00 N ATOM 219 NH2 ARG A 13 -6.383 6.887 25.339 1.00 0.00 N ATOM 0 H ARG A 13 -5.517 -0.137 21.294 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.733 -0.222 23.372 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.820 1.908 22.678 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.469 1.753 22.105 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.393 2.435 24.143 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.974 1.978 25.065 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.765 3.895 24.419 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.747 4.161 22.992 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.266 4.404 25.480 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.159 6.044 23.171 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.749 7.654 23.600 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.017 6.478 26.026 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.358 7.898 25.207 1.00 0.00 H new ATOM 233 N LEU A 14 -6.781 0.134 24.610 1.00 0.00 N ATOM 234 CA LEU A 14 -7.597 -0.129 25.786 1.00 0.00 C ATOM 235 C LEU A 14 -7.710 -1.628 26.047 1.00 0.00 C ATOM 236 O LEU A 14 -7.765 -2.064 27.198 1.00 0.00 O ATOM 237 CB LEU A 14 -8.992 0.458 25.598 1.00 0.00 C ATOM 238 CG LEU A 14 -9.907 -0.376 24.707 1.00 0.00 C ATOM 239 CD1 LEU A 14 -10.969 -1.080 25.537 1.00 0.00 C ATOM 240 CD2 LEU A 14 -10.549 0.496 23.638 1.00 0.00 C ATOM 0 H LEU A 14 -7.261 0.642 23.867 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.114 0.341 26.643 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.461 0.572 26.575 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.899 1.456 25.171 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.304 -1.137 24.212 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.611 -1.669 24.882 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.488 -1.737 26.261 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.570 -0.339 26.063 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.198 -0.115 23.011 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.137 1.281 24.114 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.772 0.948 23.022 1.00 0.00 H new ATOM 252 N GLU A 15 -7.753 -2.415 24.974 1.00 0.00 N ATOM 253 CA GLU A 15 -7.868 -3.861 25.101 1.00 0.00 C ATOM 254 C GLU A 15 -6.668 -4.423 25.845 1.00 0.00 C ATOM 255 O GLU A 15 -6.738 -4.686 27.045 1.00 0.00 O ATOM 256 CB GLU A 15 -7.991 -4.509 23.722 1.00 0.00 C ATOM 257 CG GLU A 15 -9.379 -4.380 23.116 1.00 0.00 C ATOM 258 CD GLU A 15 -9.880 -5.679 22.516 1.00 0.00 C ATOM 259 OE1 GLU A 15 -9.438 -6.754 22.973 1.00 0.00 O ATOM 260 OE2 GLU A 15 -10.717 -5.621 21.590 1.00 0.00 O ATOM 0 H GLU A 15 -7.710 -2.076 24.013 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.768 -4.089 25.672 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.265 -4.054 23.049 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.734 -5.565 23.801 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.077 -4.047 23.884 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.364 -3.610 22.344 1.00 0.00 H new ATOM 267 N LEU A 16 -5.561 -4.589 25.135 1.00 0.00 N ATOM 268 CA LEU A 16 -4.348 -5.101 25.747 1.00 0.00 C ATOM 269 C LEU A 16 -3.843 -4.129 26.804 1.00 0.00 C ATOM 270 O LEU A 16 -2.979 -4.467 27.613 1.00 0.00 O ATOM 271 CB LEU A 16 -3.266 -5.332 24.694 1.00 0.00 C ATOM 272 CG LEU A 16 -3.104 -4.216 23.662 1.00 0.00 C ATOM 273 CD1 LEU A 16 -2.914 -2.871 24.348 1.00 0.00 C ATOM 274 CD2 LEU A 16 -1.930 -4.514 22.745 1.00 0.00 C ATOM 0 H LEU A 16 -5.480 -4.377 24.141 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.581 -6.055 26.220 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.313 -5.474 25.203 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.488 -6.260 24.168 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.013 -4.167 23.062 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.801 -2.091 23.595 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.783 -2.653 24.968 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.022 -2.904 24.973 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.826 -3.711 22.015 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.017 -4.588 23.335 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.104 -5.456 22.226 1.00 0.00 H new ATOM 286 N GLY A 17 -4.390 -2.917 26.790 1.00 0.00 N ATOM 287 CA GLY A 17 -3.980 -1.914 27.756 1.00 0.00 C ATOM 288 C GLY A 17 -4.472 -2.223 29.156 1.00 0.00 C ATOM 289 O GLY A 17 -3.812 -1.889 30.140 1.00 0.00 O ATOM 0 H GLY A 17 -5.106 -2.613 26.131 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.892 -1.844 27.763 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.360 -0.940 27.447 1.00 0.00 H new ATOM 293 N ALA A 18 -5.634 -2.864 29.247 1.00 0.00 N ATOM 294 CA ALA A 18 -6.207 -3.216 30.540 1.00 0.00 C ATOM 295 C ALA A 18 -5.125 -3.677 31.510 1.00 0.00 C ATOM 296 O ALA A 18 -5.000 -3.145 32.613 1.00 0.00 O ATOM 297 CB ALA A 18 -7.263 -4.300 30.374 1.00 0.00 C ATOM 0 H ALA A 18 -6.194 -3.149 28.444 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.679 -2.325 30.955 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.682 -4.552 31.348 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.057 -3.938 29.721 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.808 -5.187 29.934 1.00 0.00 H new ATOM 410 N VAL A 26 11.158 -3.679 25.009 1.00 0.00 N ATOM 411 CA VAL A 26 10.379 -3.140 23.901 1.00 0.00 C ATOM 412 C VAL A 26 10.589 -1.635 23.784 1.00 0.00 C ATOM 413 O VAL A 26 10.821 -1.109 22.698 1.00 0.00 O ATOM 414 CB VAL A 26 8.873 -3.437 24.068 1.00 0.00 C ATOM 415 CG1 VAL A 26 8.662 -4.854 24.578 1.00 0.00 C ATOM 416 CG2 VAL A 26 8.216 -2.428 25.000 1.00 0.00 C ATOM 0 HA VAL A 26 10.727 -3.629 22.991 1.00 0.00 H new ATOM 0 HB VAL A 26 8.401 -3.347 23.090 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.595 -5.045 24.690 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.085 -5.563 23.867 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.154 -4.970 25.543 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.156 -2.661 25.099 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.691 -2.475 25.980 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.330 -1.425 24.589 1.00 0.00 H new ATOM 426 N LEU A 27 10.517 -0.953 24.921 1.00 0.00 N ATOM 427 CA LEU A 27 10.706 0.491 24.971 1.00 0.00 C ATOM 428 C LEU A 27 12.114 0.881 24.537 1.00 0.00 C ATOM 429 O LEU A 27 12.407 2.058 24.343 1.00 0.00 O ATOM 430 CB LEU A 27 10.452 1.001 26.390 1.00 0.00 C ATOM 431 CG LEU A 27 9.337 2.037 26.512 1.00 0.00 C ATOM 432 CD1 LEU A 27 9.604 3.205 25.578 1.00 0.00 C ATOM 433 CD2 LEU A 27 7.986 1.407 26.211 1.00 0.00 C ATOM 0 H LEU A 27 10.328 -1.381 25.827 1.00 0.00 H new ATOM 0 HA LEU A 27 9.995 0.946 24.281 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.209 0.151 27.028 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.375 1.435 26.775 1.00 0.00 H new ATOM 0 HG LEU A 27 9.317 2.409 27.536 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.803 3.938 25.673 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.554 3.670 25.840 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.647 2.846 24.550 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.204 2.161 26.303 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.988 1.009 25.196 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.796 0.599 26.917 1.00 0.00 H new ATOM 445 N GLN A 28 12.985 -0.111 24.410 1.00 0.00 N ATOM 446 CA GLN A 28 14.369 0.133 24.025 1.00 0.00 C ATOM 447 C GLN A 28 14.564 0.056 22.517 1.00 0.00 C ATOM 448 O GLN A 28 15.135 0.960 21.911 1.00 0.00 O ATOM 449 CB GLN A 28 15.288 -0.869 24.719 1.00 0.00 C ATOM 450 CG GLN A 28 15.405 -0.648 26.217 1.00 0.00 C ATOM 451 CD GLN A 28 16.493 0.345 26.578 1.00 0.00 C ATOM 452 OE1 GLN A 28 17.679 0.092 26.363 1.00 0.00 O ATOM 453 NE2 GLN A 28 16.093 1.484 27.132 1.00 0.00 N ATOM 0 H GLN A 28 12.758 -1.093 24.568 1.00 0.00 H new ATOM 0 HA GLN A 28 14.623 1.145 24.339 1.00 0.00 H new ATOM 0 HB2 GLN A 28 14.916 -1.877 24.537 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.281 -0.809 24.272 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.450 -0.291 26.603 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.611 -1.600 26.706 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.100 1.652 27.292 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.779 2.191 27.397 1.00 0.00 H new ATOM 462 N TYR A 29 14.080 -1.021 21.913 1.00 0.00 N ATOM 463 CA TYR A 29 14.200 -1.199 20.474 1.00 0.00 C ATOM 464 C TYR A 29 13.531 -0.036 19.789 1.00 0.00 C ATOM 465 O TYR A 29 13.933 0.412 18.717 1.00 0.00 O ATOM 466 CB TYR A 29 13.540 -2.522 20.048 1.00 0.00 C ATOM 467 CG TYR A 29 12.737 -2.437 18.761 1.00 0.00 C ATOM 468 CD1 TYR A 29 13.294 -1.886 17.616 1.00 0.00 C ATOM 469 CD2 TYR A 29 11.433 -2.913 18.686 1.00 0.00 C ATOM 470 CE1 TYR A 29 12.583 -1.812 16.437 1.00 0.00 C ATOM 471 CE2 TYR A 29 10.716 -2.836 17.508 1.00 0.00 C ATOM 472 CZ TYR A 29 11.296 -2.287 16.388 1.00 0.00 C ATOM 473 OH TYR A 29 10.588 -2.217 15.211 1.00 0.00 O ATOM 0 H TYR A 29 13.602 -1.782 22.396 1.00 0.00 H new ATOM 0 HA TYR A 29 15.252 -1.237 20.191 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.315 -3.279 19.929 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.884 -2.861 20.850 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.305 -1.507 17.649 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.974 -3.349 19.561 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.037 -1.382 15.556 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.702 -3.206 17.466 1.00 0.00 H new ATOM 0 HH TYR A 29 11.129 -2.585 14.481 1.00 0.00 H new ATOM 483 N LEU A 30 12.492 0.422 20.441 1.00 0.00 N ATOM 484 CA LEU A 30 11.690 1.516 19.972 1.00 0.00 C ATOM 485 C LEU A 30 12.387 2.846 20.167 1.00 0.00 C ATOM 486 O LEU A 30 12.966 3.404 19.236 1.00 0.00 O ATOM 487 CB LEU A 30 10.396 1.487 20.751 1.00 0.00 C ATOM 488 CG LEU A 30 9.651 0.172 20.647 1.00 0.00 C ATOM 489 CD1 LEU A 30 8.633 0.040 21.760 1.00 0.00 C ATOM 490 CD2 LEU A 30 8.993 0.065 19.296 1.00 0.00 C ATOM 0 H LEU A 30 12.176 0.035 21.330 1.00 0.00 H new ATOM 0 HA LEU A 30 11.511 1.409 18.902 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.609 1.691 21.800 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.750 2.289 20.395 1.00 0.00 H new ATOM 0 HG LEU A 30 10.363 -0.646 20.754 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.111 -0.912 21.664 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.140 0.080 22.724 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.914 0.857 21.694 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.458 -0.882 19.226 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.291 0.889 19.167 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.753 0.111 18.516 1.00 0.00 H new ATOM 502 N TYR A 31 12.323 3.350 21.387 1.00 0.00 N ATOM 503 CA TYR A 31 12.944 4.623 21.713 1.00 0.00 C ATOM 504 C TYR A 31 14.315 4.739 21.060 1.00 0.00 C ATOM 505 O TYR A 31 14.794 5.842 20.801 1.00 0.00 O ATOM 506 CB TYR A 31 13.043 4.809 23.228 1.00 0.00 C ATOM 507 CG TYR A 31 11.790 5.412 23.821 1.00 0.00 C ATOM 508 CD1 TYR A 31 10.546 4.887 23.510 1.00 0.00 C ATOM 509 CD2 TYR A 31 11.842 6.529 24.654 1.00 0.00 C ATOM 510 CE1 TYR A 31 9.395 5.455 23.997 1.00 0.00 C ATOM 511 CE2 TYR A 31 10.689 7.095 25.153 1.00 0.00 C ATOM 512 CZ TYR A 31 9.469 6.555 24.816 1.00 0.00 C ATOM 513 OH TYR A 31 8.316 7.132 25.282 1.00 0.00 O ATOM 0 H TYR A 31 11.848 2.898 22.168 1.00 0.00 H new ATOM 0 HA TYR A 31 12.313 5.419 21.317 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.235 3.844 23.697 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.894 5.450 23.457 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.481 4.017 22.874 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.800 6.957 24.912 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.433 5.038 23.737 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.742 7.956 25.803 1.00 0.00 H new ATOM 0 HH TYR A 31 7.601 7.015 24.622 1.00 0.00 H new ATOM 523 N GLN A 32 14.943 3.600 20.775 1.00 0.00 N ATOM 524 CA GLN A 32 16.246 3.611 20.130 1.00 0.00 C ATOM 525 C GLN A 32 16.094 3.703 18.619 1.00 0.00 C ATOM 526 O GLN A 32 16.872 4.381 17.949 1.00 0.00 O ATOM 527 CB GLN A 32 17.057 2.368 20.502 1.00 0.00 C ATOM 528 CG GLN A 32 17.572 2.380 21.932 1.00 0.00 C ATOM 529 CD GLN A 32 19.043 2.028 22.025 1.00 0.00 C ATOM 530 OE1 GLN A 32 19.475 0.983 21.539 1.00 0.00 O ATOM 531 NE2 GLN A 32 19.823 2.902 22.651 1.00 0.00 N ATOM 0 H GLN A 32 14.574 2.671 20.979 1.00 0.00 H new ATOM 0 HA GLN A 32 16.785 4.490 20.484 1.00 0.00 H new ATOM 0 HB2 GLN A 32 16.437 1.483 20.356 1.00 0.00 H new ATOM 0 HB3 GLN A 32 17.904 2.280 19.821 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.411 3.368 22.364 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.995 1.673 22.528 1.00 0.00 H new ATOM 0 HE21 GLN A 32 19.423 3.756 23.039 1.00 0.00 H new ATOM 0 HE22 GLN A 32 20.822 2.719 22.744 1.00 0.00 H new ATOM 540 N GLU A 33 15.082 3.028 18.085 1.00 0.00 N ATOM 541 CA GLU A 33 14.836 3.055 16.651 1.00 0.00 C ATOM 542 C GLU A 33 14.254 4.398 16.238 1.00 0.00 C ATOM 543 O GLU A 33 14.511 4.882 15.136 1.00 0.00 O ATOM 544 CB GLU A 33 13.889 1.930 16.236 1.00 0.00 C ATOM 545 CG GLU A 33 14.596 0.743 15.605 1.00 0.00 C ATOM 546 CD GLU A 33 15.678 1.160 14.629 1.00 0.00 C ATOM 547 OE1 GLU A 33 15.528 2.226 13.997 1.00 0.00 O ATOM 548 OE2 GLU A 33 16.676 0.420 14.496 1.00 0.00 O ATOM 0 H GLU A 33 14.425 2.460 18.620 1.00 0.00 H new ATOM 0 HA GLU A 33 15.790 2.908 16.145 1.00 0.00 H new ATOM 0 HB2 GLU A 33 13.336 1.590 17.112 1.00 0.00 H new ATOM 0 HB3 GLU A 33 13.157 2.324 15.531 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.037 0.128 16.390 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.865 0.122 15.087 1.00 0.00 H new ATOM 555 N GLY A 34 13.472 5.005 17.128 1.00 0.00 N ATOM 556 CA GLY A 34 12.883 6.293 16.814 1.00 0.00 C ATOM 557 C GLY A 34 11.416 6.366 17.155 1.00 0.00 C ATOM 558 O GLY A 34 10.872 7.458 17.324 1.00 0.00 O ATOM 0 H GLY A 34 13.239 4.633 18.049 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.416 7.073 17.357 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.015 6.498 15.752 1.00 0.00 H new ATOM 562 N ILE A 35 10.780 5.203 17.278 1.00 0.00 N ATOM 563 CA ILE A 35 9.371 5.125 17.632 1.00 0.00 C ATOM 564 C ILE A 35 8.967 6.300 18.479 1.00 0.00 C ATOM 565 O ILE A 35 7.951 6.957 18.255 1.00 0.00 O ATOM 566 CB ILE A 35 9.132 3.874 18.476 1.00 0.00 C ATOM 567 CG1 ILE A 35 9.352 2.633 17.634 1.00 0.00 C ATOM 568 CG2 ILE A 35 7.746 3.889 19.101 1.00 0.00 C ATOM 569 CD1 ILE A 35 8.075 1.970 17.160 1.00 0.00 C ATOM 0 H ILE A 35 11.226 4.297 17.136 1.00 0.00 H new ATOM 0 HA ILE A 35 8.795 5.108 16.707 1.00 0.00 H new ATOM 0 HB ILE A 35 9.850 3.862 19.296 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.954 2.899 16.765 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.929 1.912 18.213 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.605 2.986 19.696 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.645 4.765 19.742 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.992 3.926 18.314 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.321 1.091 16.565 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.479 1.670 18.022 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.505 2.672 16.552 1.00 0.00 H new ATOM 581 N LEU A 36 9.777 6.504 19.488 1.00 0.00 N ATOM 582 CA LEU A 36 9.553 7.544 20.460 1.00 0.00 C ATOM 583 C LEU A 36 9.994 8.919 19.988 1.00 0.00 C ATOM 584 O LEU A 36 10.768 9.067 19.042 1.00 0.00 O ATOM 585 CB LEU A 36 10.296 7.173 21.732 1.00 0.00 C ATOM 586 CG LEU A 36 11.638 7.868 21.917 1.00 0.00 C ATOM 587 CD1 LEU A 36 12.436 7.805 20.629 1.00 0.00 C ATOM 588 CD2 LEU A 36 11.421 9.298 22.386 1.00 0.00 C ATOM 0 H LEU A 36 10.616 5.949 19.659 1.00 0.00 H new ATOM 0 HA LEU A 36 8.479 7.614 20.630 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.662 7.406 22.587 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.458 6.095 21.740 1.00 0.00 H new ATOM 0 HG LEU A 36 12.216 7.355 22.686 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.395 8.304 20.770 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.606 6.763 20.357 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.882 8.302 19.833 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.386 9.789 22.516 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.836 9.840 21.643 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.886 9.292 23.336 1.00 0.00 H new ATOM 600 N THR A 37 9.522 9.905 20.721 1.00 0.00 N ATOM 601 CA THR A 37 9.865 11.290 20.491 1.00 0.00 C ATOM 602 C THR A 37 9.883 12.060 21.812 1.00 0.00 C ATOM 603 O THR A 37 10.154 11.486 22.866 1.00 0.00 O ATOM 604 CB THR A 37 8.899 11.939 19.498 1.00 0.00 C ATOM 605 OG1 THR A 37 9.392 13.195 19.067 1.00 0.00 O ATOM 606 CG2 THR A 37 7.513 12.159 20.068 1.00 0.00 C ATOM 0 H THR A 37 8.882 9.764 21.502 1.00 0.00 H new ATOM 0 HA THR A 37 10.864 11.326 20.055 1.00 0.00 H new ATOM 0 HB THR A 37 8.825 11.238 18.666 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.675 13.861 19.112 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.878 12.622 19.313 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.085 11.201 20.364 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.577 12.812 20.938 1.00 0.00 H new ATOM 614 N GLU A 38 9.606 13.357 21.753 1.00 0.00 N ATOM 615 CA GLU A 38 9.603 14.190 22.953 1.00 0.00 C ATOM 616 C GLU A 38 8.521 13.738 23.930 1.00 0.00 C ATOM 617 O GLU A 38 8.814 13.242 25.023 1.00 0.00 O ATOM 618 CB GLU A 38 9.390 15.658 22.579 1.00 0.00 C ATOM 619 CG GLU A 38 9.572 16.616 23.746 1.00 0.00 C ATOM 620 CD GLU A 38 8.730 17.869 23.609 1.00 0.00 C ATOM 621 OE1 GLU A 38 9.041 18.700 22.730 1.00 0.00 O ATOM 622 OE2 GLU A 38 7.762 18.020 24.383 1.00 0.00 O ATOM 0 H GLU A 38 9.381 13.855 20.892 1.00 0.00 H new ATOM 0 HA GLU A 38 10.572 14.083 23.441 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.088 15.927 21.786 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.385 15.779 22.174 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.310 16.107 24.673 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.623 16.895 23.821 1.00 0.00 H new ATOM 629 N ASN A 39 7.266 13.913 23.529 1.00 0.00 N ATOM 630 CA ASN A 39 6.139 13.525 24.365 1.00 0.00 C ATOM 631 C ASN A 39 6.334 12.117 24.914 1.00 0.00 C ATOM 632 O ASN A 39 5.754 11.756 25.938 1.00 0.00 O ATOM 633 CB ASN A 39 4.833 13.603 23.572 1.00 0.00 C ATOM 634 CG ASN A 39 4.004 14.816 23.944 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.872 15.156 25.120 1.00 0.00 O ATOM 636 ND2 ASN A 39 3.438 15.476 22.940 1.00 0.00 N ATOM 0 H ASN A 39 7.005 14.321 22.631 1.00 0.00 H new ATOM 0 HA ASN A 39 6.084 14.219 25.203 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.059 13.634 22.506 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.249 12.699 23.748 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.867 16.300 23.129 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.574 15.159 21.980 1.00 0.00 H new ATOM 643 N HIS A 40 7.152 11.322 24.229 1.00 0.00 N ATOM 644 CA HIS A 40 7.418 9.956 24.653 1.00 0.00 C ATOM 645 C HIS A 40 8.186 9.928 25.966 1.00 0.00 C ATOM 646 O HIS A 40 7.649 9.530 27.000 1.00 0.00 O ATOM 647 CB HIS A 40 8.223 9.255 23.567 1.00 0.00 C ATOM 648 CG HIS A 40 7.430 8.354 22.650 1.00 0.00 C ATOM 649 ND1 HIS A 40 7.116 7.047 22.772 1.00 0.00 N flip ATOM 650 CD2 HIS A 40 6.886 8.757 21.438 1.00 0.00 C flip ATOM 651 CE1 HIS A 40 6.403 6.679 21.660 1.00 0.00 C flip ATOM 652 NE2 HIS A 40 6.271 7.719 20.868 1.00 0.00 N flip ATOM 0 H HIS A 40 7.640 11.603 23.379 1.00 0.00 H new ATOM 0 HA HIS A 40 6.469 9.443 24.811 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.721 10.013 22.962 1.00 0.00 H new ATOM 0 HB3 HIS A 40 9.004 8.663 24.043 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.950 9.752 21.023 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.012 5.691 21.466 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.783 7.731 19.972 1.00 0.00 H new ATOM 661 N ILE A 41 9.439 10.358 25.917 1.00 0.00 N ATOM 662 CA ILE A 41 10.284 10.397 27.093 1.00 0.00 C ATOM 663 C ILE A 41 9.463 10.740 28.325 1.00 0.00 C ATOM 664 O ILE A 41 9.649 10.173 29.402 1.00 0.00 O ATOM 665 CB ILE A 41 11.401 11.444 26.888 1.00 0.00 C ATOM 666 CG1 ILE A 41 12.726 10.744 26.632 1.00 0.00 C ATOM 667 CG2 ILE A 41 11.518 12.392 28.071 1.00 0.00 C ATOM 668 CD1 ILE A 41 12.644 9.673 25.567 1.00 0.00 C ATOM 0 H ILE A 41 9.892 10.687 25.065 1.00 0.00 H new ATOM 0 HA ILE A 41 10.733 9.415 27.243 1.00 0.00 H new ATOM 0 HB ILE A 41 11.137 12.047 26.019 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.468 11.485 26.335 1.00 0.00 H new ATOM 0 HG13 ILE A 41 13.077 10.296 27.561 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.316 13.111 27.884 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.576 12.923 28.207 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.747 11.823 28.972 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.624 9.215 25.435 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.926 8.912 25.871 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.323 10.120 24.626 1.00 0.00 H new ATOM 680 N GLN A 42 8.563 11.688 28.144 1.00 0.00 N ATOM 681 CA GLN A 42 7.704 12.147 29.230 1.00 0.00 C ATOM 682 C GLN A 42 6.826 11.016 29.757 1.00 0.00 C ATOM 683 O GLN A 42 6.854 10.691 30.948 1.00 0.00 O ATOM 684 CB GLN A 42 6.831 13.309 28.756 1.00 0.00 C ATOM 685 CG GLN A 42 7.523 14.660 28.842 1.00 0.00 C ATOM 686 CD GLN A 42 8.317 14.987 27.593 1.00 0.00 C ATOM 687 OE1 GLN A 42 7.764 15.075 26.497 1.00 0.00 O ATOM 688 NE2 GLN A 42 9.624 15.168 27.752 1.00 0.00 N ATOM 0 H GLN A 42 8.404 12.159 27.254 1.00 0.00 H new ATOM 0 HA GLN A 42 8.344 12.487 30.044 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.529 13.129 27.724 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.920 13.337 29.354 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.777 15.437 29.008 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.189 14.669 29.705 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.041 15.086 28.679 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.210 15.389 26.947 1.00 0.00 H new ATOM 697 N GLU A 43 6.042 10.423 28.868 1.00 0.00 N ATOM 698 CA GLU A 43 5.151 9.341 29.244 1.00 0.00 C ATOM 699 C GLU A 43 5.913 8.195 29.907 1.00 0.00 C ATOM 700 O GLU A 43 5.448 7.615 30.892 1.00 0.00 O ATOM 701 CB GLU A 43 4.404 8.837 28.010 1.00 0.00 C ATOM 702 CG GLU A 43 3.530 9.895 27.356 1.00 0.00 C ATOM 703 CD GLU A 43 2.324 10.261 28.200 1.00 0.00 C ATOM 704 OE1 GLU A 43 1.776 9.363 28.873 1.00 0.00 O ATOM 705 OE2 GLU A 43 1.929 11.446 28.189 1.00 0.00 O ATOM 0 H GLU A 43 6.007 10.675 27.880 1.00 0.00 H new ATOM 0 HA GLU A 43 4.435 9.725 29.970 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.128 8.473 27.281 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.782 7.988 28.293 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.125 10.790 27.173 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.192 9.532 26.385 1.00 0.00 H new ATOM 712 N ILE A 44 7.081 7.859 29.363 1.00 0.00 N ATOM 713 CA ILE A 44 7.872 6.777 29.907 1.00 0.00 C ATOM 714 C ILE A 44 8.260 7.067 31.344 1.00 0.00 C ATOM 715 O ILE A 44 8.015 6.257 32.238 1.00 0.00 O ATOM 716 CB ILE A 44 9.122 6.534 29.061 1.00 0.00 C ATOM 717 CG1 ILE A 44 8.720 6.187 27.633 1.00 0.00 C ATOM 718 CG2 ILE A 44 9.954 5.434 29.670 1.00 0.00 C ATOM 719 CD1 ILE A 44 7.844 4.955 27.511 1.00 0.00 C ATOM 0 H ILE A 44 7.491 8.322 28.552 1.00 0.00 H new ATOM 0 HA ILE A 44 7.262 5.874 29.886 1.00 0.00 H new ATOM 0 HB ILE A 44 9.724 7.442 29.038 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.193 7.037 27.200 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.623 6.036 27.041 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.842 5.269 29.060 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.255 5.721 30.678 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.368 4.516 29.713 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.605 4.781 26.462 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.374 4.091 27.911 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.922 5.107 28.073 1.00 0.00 H new ATOM 731 N ASN A 45 8.834 8.240 31.577 1.00 0.00 N ATOM 732 CA ASN A 45 9.205 8.627 32.926 1.00 0.00 C ATOM 733 C ASN A 45 8.060 8.274 33.867 1.00 0.00 C ATOM 734 O ASN A 45 8.265 7.996 35.048 1.00 0.00 O ATOM 735 CB ASN A 45 9.510 10.125 32.995 1.00 0.00 C ATOM 736 CG ASN A 45 10.886 10.462 32.453 1.00 0.00 C ATOM 737 OD1 ASN A 45 11.525 9.640 31.797 1.00 0.00 O ATOM 738 ND2 ASN A 45 11.348 11.676 32.727 1.00 0.00 N ATOM 0 H ASN A 45 9.050 8.930 30.858 1.00 0.00 H new ATOM 0 HA ASN A 45 10.106 8.091 33.223 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.756 10.673 32.430 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.438 10.460 34.030 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.268 11.960 32.390 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.783 12.325 33.275 1.00 0.00 H new ATOM 745 N ALA A 46 6.847 8.278 33.312 1.00 0.00 N ATOM 746 CA ALA A 46 5.648 7.947 34.071 1.00 0.00 C ATOM 747 C ALA A 46 5.661 6.486 34.521 1.00 0.00 C ATOM 748 O ALA A 46 5.425 6.202 35.694 1.00 0.00 O ATOM 749 CB ALA A 46 4.404 8.232 33.242 1.00 0.00 C ATOM 0 H ALA A 46 6.672 8.509 32.334 1.00 0.00 H new ATOM 0 HA ALA A 46 5.632 8.573 34.963 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.515 7.980 33.821 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.377 9.289 32.977 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.427 7.631 32.333 1.00 0.00 H new ATOM 755 N GLN A 47 5.931 5.569 33.578 1.00 0.00 N ATOM 756 CA GLN A 47 5.970 4.130 33.870 1.00 0.00 C ATOM 757 C GLN A 47 6.157 3.850 35.361 1.00 0.00 C ATOM 758 O GLN A 47 5.199 3.532 36.066 1.00 0.00 O ATOM 759 CB GLN A 47 7.093 3.461 33.075 1.00 0.00 C ATOM 760 CG GLN A 47 6.595 2.652 31.888 1.00 0.00 C ATOM 761 CD GLN A 47 7.464 2.825 30.658 1.00 0.00 C ATOM 762 OE1 GLN A 47 6.975 3.160 29.580 1.00 0.00 O ATOM 763 NE2 GLN A 47 8.762 2.596 30.815 1.00 0.00 N ATOM 0 H GLN A 47 6.126 5.801 32.604 1.00 0.00 H new ATOM 0 HA GLN A 47 5.008 3.713 33.572 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.782 4.227 32.719 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.658 2.807 33.739 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.563 1.597 32.160 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.574 2.951 31.652 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.124 2.320 31.728 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.397 2.696 30.023 1.00 0.00 H new ATOM 772 N THR A 48 7.393 3.972 35.835 1.00 0.00 N ATOM 773 CA THR A 48 7.698 3.734 37.243 1.00 0.00 C ATOM 774 C THR A 48 7.446 2.276 37.623 1.00 0.00 C ATOM 775 O THR A 48 8.379 1.539 37.943 1.00 0.00 O ATOM 776 CB THR A 48 6.857 4.657 38.128 1.00 0.00 C ATOM 777 OG1 THR A 48 7.018 6.010 37.741 1.00 0.00 O ATOM 778 CG2 THR A 48 7.204 4.556 39.598 1.00 0.00 C ATOM 0 H THR A 48 8.199 4.234 35.267 1.00 0.00 H new ATOM 0 HA THR A 48 8.755 3.950 37.400 1.00 0.00 H new ATOM 0 HB THR A 48 5.827 4.328 37.990 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.238 6.297 37.222 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.571 5.236 40.169 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.041 3.534 39.941 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.250 4.825 39.744 1.00 0.00 H new ATOM 786 N THR A 49 6.181 1.868 37.591 1.00 0.00 N ATOM 787 CA THR A 49 5.810 0.500 37.937 1.00 0.00 C ATOM 788 C THR A 49 6.249 -0.480 36.854 1.00 0.00 C ATOM 789 O THR A 49 7.360 -1.009 36.893 1.00 0.00 O ATOM 790 CB THR A 49 4.298 0.397 38.148 1.00 0.00 C ATOM 791 OG1 THR A 49 3.602 0.753 36.966 1.00 0.00 O ATOM 792 CG2 THR A 49 3.787 1.279 39.266 1.00 0.00 C ATOM 0 H THR A 49 5.396 2.465 37.329 1.00 0.00 H new ATOM 0 HA THR A 49 6.321 0.239 38.864 1.00 0.00 H new ATOM 0 HB THR A 49 4.114 -0.643 38.417 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.931 0.069 36.763 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.708 1.157 39.361 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.268 0.996 40.202 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.016 2.321 39.041 1.00 0.00 H new ATOM 800 N GLY A 50 5.367 -0.718 35.889 1.00 0.00 N ATOM 801 CA GLY A 50 5.675 -1.634 34.807 1.00 0.00 C ATOM 802 C GLY A 50 4.523 -1.779 33.834 1.00 0.00 C ATOM 803 O GLY A 50 4.731 -1.925 32.630 1.00 0.00 O ATOM 0 H GLY A 50 4.442 -0.291 35.837 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.557 -1.279 34.273 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.924 -2.611 35.220 1.00 0.00 H new ATOM 807 N LEU A 51 3.303 -1.732 34.359 1.00 0.00 N ATOM 808 CA LEU A 51 2.109 -1.854 33.532 1.00 0.00 C ATOM 809 C LEU A 51 1.920 -0.607 32.673 1.00 0.00 C ATOM 810 O LEU A 51 1.516 -0.693 31.512 1.00 0.00 O ATOM 811 CB LEU A 51 0.877 -2.073 34.412 1.00 0.00 C ATOM 812 CG LEU A 51 0.458 -3.532 34.596 1.00 0.00 C ATOM 813 CD1 LEU A 51 0.442 -3.900 36.071 1.00 0.00 C ATOM 814 CD2 LEU A 51 -0.906 -3.777 33.970 1.00 0.00 C ATOM 0 H LEU A 51 3.116 -1.610 35.354 1.00 0.00 H new ATOM 0 HA LEU A 51 2.234 -2.714 32.874 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.070 -1.641 35.394 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.040 -1.523 33.981 1.00 0.00 H new ATOM 0 HG LEU A 51 1.187 -4.166 34.092 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.142 -4.942 36.183 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.438 -3.763 36.491 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.265 -3.260 36.598 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.189 -4.820 34.110 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.646 -3.134 34.446 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.863 -3.553 32.904 1.00 0.00 H new ATOM 826 N ARG A 52 2.219 0.552 33.253 1.00 0.00 N ATOM 827 CA ARG A 52 2.085 1.816 32.542 1.00 0.00 C ATOM 828 C ARG A 52 2.980 1.840 31.308 1.00 0.00 C ATOM 829 O ARG A 52 2.748 2.612 30.378 1.00 0.00 O ATOM 830 CB ARG A 52 2.434 2.988 33.461 1.00 0.00 C ATOM 831 CG ARG A 52 1.295 3.976 33.649 1.00 0.00 C ATOM 832 CD ARG A 52 1.798 5.410 33.641 1.00 0.00 C ATOM 833 NE ARG A 52 1.116 6.227 32.642 1.00 0.00 N ATOM 834 CZ ARG A 52 -0.107 6.719 32.805 1.00 0.00 C ATOM 835 NH1 ARG A 52 -0.777 6.473 33.923 1.00 0.00 N ATOM 836 NH2 ARG A 52 -0.661 7.458 31.853 1.00 0.00 N ATOM 0 H ARG A 52 2.555 0.640 34.212 1.00 0.00 H new ATOM 0 HA ARG A 52 1.048 1.914 32.222 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.730 2.599 34.435 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.296 3.515 33.052 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.560 3.842 32.855 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.787 3.772 34.591 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.653 5.850 34.628 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.870 5.416 33.443 1.00 0.00 H new ATOM 0 HE ARG A 52 1.606 6.431 31.771 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.353 5.906 34.657 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.716 6.851 34.048 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.148 7.650 30.993 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.600 7.834 31.981 1.00 0.00 H new ATOM 850 N LYS A 53 4.002 0.988 31.302 1.00 0.00 N ATOM 851 CA LYS A 53 4.919 0.917 30.174 1.00 0.00 C ATOM 852 C LYS A 53 4.149 0.536 28.906 1.00 0.00 C ATOM 853 O LYS A 53 4.292 1.172 27.859 1.00 0.00 O ATOM 854 CB LYS A 53 6.045 -0.088 30.470 1.00 0.00 C ATOM 855 CG LYS A 53 6.288 -1.112 29.370 1.00 0.00 C ATOM 856 CD LYS A 53 7.638 -1.793 29.531 1.00 0.00 C ATOM 857 CE LYS A 53 7.811 -2.360 30.930 1.00 0.00 C ATOM 858 NZ LYS A 53 9.130 -3.030 31.100 1.00 0.00 N ATOM 0 H LYS A 53 4.213 0.342 32.062 1.00 0.00 H new ATOM 0 HA LYS A 53 5.377 1.893 30.014 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.969 0.463 30.645 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.809 -0.616 31.394 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.497 -1.862 29.388 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.240 -0.621 28.398 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.732 -2.594 28.798 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.435 -1.078 29.326 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.715 -1.557 31.661 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.013 -3.074 31.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.208 -3.403 32.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.212 -3.812 30.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.893 -2.343 30.931 1.00 0.00 H new ATOM 872 N THR A 54 3.307 -0.493 29.012 1.00 0.00 N ATOM 873 CA THR A 54 2.502 -0.921 27.890 1.00 0.00 C ATOM 874 C THR A 54 1.553 0.202 27.517 1.00 0.00 C ATOM 875 O THR A 54 1.459 0.599 26.354 1.00 0.00 O ATOM 876 CB THR A 54 1.713 -2.172 28.251 1.00 0.00 C ATOM 877 OG1 THR A 54 2.564 -3.172 28.783 1.00 0.00 O ATOM 878 CG2 THR A 54 0.991 -2.761 27.072 1.00 0.00 C ATOM 0 H THR A 54 3.172 -1.037 29.864 1.00 0.00 H new ATOM 0 HA THR A 54 3.149 -1.157 27.045 1.00 0.00 H new ATOM 0 HB THR A 54 0.980 -1.855 28.993 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.035 -3.965 29.009 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.445 -3.650 27.387 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.291 -2.028 26.671 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.713 -3.032 26.302 1.00 0.00 H new ATOM 886 N MET A 55 0.873 0.733 28.529 1.00 0.00 N ATOM 887 CA MET A 55 -0.042 1.839 28.324 1.00 0.00 C ATOM 888 C MET A 55 0.689 2.946 27.599 1.00 0.00 C ATOM 889 O MET A 55 0.129 3.627 26.742 1.00 0.00 O ATOM 890 CB MET A 55 -0.609 2.322 29.671 1.00 0.00 C ATOM 891 CG MET A 55 -0.301 3.777 30.009 1.00 0.00 C ATOM 892 SD MET A 55 -1.395 4.442 31.279 1.00 0.00 S ATOM 893 CE MET A 55 -2.935 4.553 30.373 1.00 0.00 C ATOM 0 H MET A 55 0.941 0.413 29.495 1.00 0.00 H new ATOM 0 HA MET A 55 -0.888 1.518 27.716 1.00 0.00 H new ATOM 0 HB2 MET A 55 -1.690 2.186 29.664 1.00 0.00 H new ATOM 0 HB3 MET A 55 -0.213 1.688 30.464 1.00 0.00 H new ATOM 0 HG2 MET A 55 0.732 3.856 30.347 1.00 0.00 H new ATOM 0 HG3 MET A 55 -0.389 4.382 29.107 1.00 0.00 H new ATOM 0 HE1 MET A 55 -3.235 5.598 30.293 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.801 4.136 29.375 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.708 3.993 30.899 1.00 0.00 H new ATOM 903 N LEU A 56 1.951 3.108 27.954 1.00 0.00 N ATOM 904 CA LEU A 56 2.784 4.112 27.361 1.00 0.00 C ATOM 905 C LEU A 56 2.718 4.090 25.853 1.00 0.00 C ATOM 906 O LEU A 56 2.022 4.908 25.270 1.00 0.00 O ATOM 907 CB LEU A 56 4.207 3.938 27.850 1.00 0.00 C ATOM 908 CG LEU A 56 4.723 5.147 28.578 1.00 0.00 C ATOM 909 CD1 LEU A 56 5.173 6.171 27.549 1.00 0.00 C ATOM 910 CD2 LEU A 56 3.620 5.688 29.484 1.00 0.00 C ATOM 0 H LEU A 56 2.418 2.542 28.663 1.00 0.00 H new ATOM 0 HA LEU A 56 2.414 5.090 27.670 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.256 3.073 28.511 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.856 3.727 27.000 1.00 0.00 H new ATOM 0 HG LEU A 56 5.577 4.899 29.208 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.551 7.057 28.059 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.962 5.743 26.931 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.328 6.448 26.918 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.985 6.566 30.017 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.755 5.963 28.880 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.331 4.921 30.203 1.00 0.00 H new ATOM 922 N LEU A 57 3.440 3.173 25.216 1.00 0.00 N ATOM 923 CA LEU A 57 3.426 3.098 23.769 1.00 0.00 C ATOM 924 C LEU A 57 2.042 3.398 23.223 1.00 0.00 C ATOM 925 O LEU A 57 1.868 4.269 22.370 1.00 0.00 O ATOM 926 CB LEU A 57 3.888 1.739 23.307 1.00 0.00 C ATOM 927 CG LEU A 57 5.101 1.800 22.408 1.00 0.00 C ATOM 928 CD1 LEU A 57 4.681 2.232 21.016 1.00 0.00 C ATOM 929 CD2 LEU A 57 6.132 2.770 22.962 1.00 0.00 C ATOM 0 H LEU A 57 4.033 2.482 25.676 1.00 0.00 H new ATOM 0 HA LEU A 57 4.114 3.851 23.385 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.119 1.125 24.177 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.074 1.246 22.776 1.00 0.00 H new ATOM 0 HG LEU A 57 5.552 0.809 22.361 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.557 2.276 20.369 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.967 1.514 20.612 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.217 3.217 21.065 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.997 2.799 22.300 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.694 3.766 23.031 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.445 2.442 23.953 1.00 0.00 H new ATOM 941 N LEU A 58 1.062 2.678 23.732 1.00 0.00 N ATOM 942 CA LEU A 58 -0.317 2.864 23.316 1.00 0.00 C ATOM 943 C LEU A 58 -0.752 4.315 23.528 1.00 0.00 C ATOM 944 O LEU A 58 -1.582 4.845 22.790 1.00 0.00 O ATOM 945 CB LEU A 58 -1.228 1.927 24.105 1.00 0.00 C ATOM 946 CG LEU A 58 -0.735 0.484 24.233 1.00 0.00 C ATOM 947 CD1 LEU A 58 -1.544 -0.259 25.282 1.00 0.00 C ATOM 948 CD2 LEU A 58 -0.813 -0.227 22.890 1.00 0.00 C ATOM 0 H LEU A 58 1.195 1.954 24.438 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.394 2.631 22.254 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.363 2.337 25.106 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.209 1.917 23.630 1.00 0.00 H new ATOM 0 HG LEU A 58 0.308 0.500 24.550 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.182 -1.284 25.362 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.437 0.240 26.245 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.595 -0.267 24.993 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.459 -1.252 23.000 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.846 -0.236 22.542 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.190 0.296 22.164 1.00 0.00 H new ATOM 960 N ASP A 59 -0.177 4.940 24.547 1.00 0.00 N ATOM 961 CA ASP A 59 -0.478 6.331 24.893 1.00 0.00 C ATOM 962 C ASP A 59 0.344 7.308 24.056 1.00 0.00 C ATOM 963 O ASP A 59 -0.057 8.450 23.833 1.00 0.00 O ATOM 964 CB ASP A 59 -0.179 6.573 26.376 1.00 0.00 C ATOM 965 CG ASP A 59 -1.425 6.906 27.173 1.00 0.00 C ATOM 966 OD1 ASP A 59 -1.834 8.086 27.170 1.00 0.00 O ATOM 967 OD2 ASP A 59 -1.993 5.987 27.799 1.00 0.00 O ATOM 0 H ASP A 59 0.511 4.501 25.159 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.535 6.502 24.687 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.292 5.685 26.798 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.538 7.389 26.470 1.00 0.00 H new ATOM 972 N ILE A 60 1.504 6.847 23.623 1.00 0.00 N ATOM 973 CA ILE A 60 2.428 7.656 22.832 1.00 0.00 C ATOM 974 C ILE A 60 2.124 7.562 21.342 1.00 0.00 C ATOM 975 O ILE A 60 1.941 8.577 20.670 1.00 0.00 O ATOM 976 CB ILE A 60 3.894 7.226 23.071 1.00 0.00 C ATOM 977 CG1 ILE A 60 3.973 6.174 24.173 1.00 0.00 C ATOM 978 CG2 ILE A 60 4.740 8.424 23.433 1.00 0.00 C ATOM 979 CD1 ILE A 60 5.361 5.657 24.446 1.00 0.00 C ATOM 0 H ILE A 60 1.837 5.901 23.808 1.00 0.00 H new ATOM 0 HA ILE A 60 2.294 8.688 23.157 1.00 0.00 H new ATOM 0 HB ILE A 60 4.278 6.790 22.149 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.570 6.599 25.092 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.333 5.334 23.902 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.769 8.106 23.598 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.710 9.149 22.620 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.351 8.882 24.342 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.322 4.914 25.243 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.763 5.199 23.542 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.004 6.483 24.751 1.00 0.00 H new ATOM 991 N LEU A 61 2.074 6.337 20.830 1.00 0.00 N ATOM 992 CA LEU A 61 1.795 6.116 19.419 1.00 0.00 C ATOM 993 C LEU A 61 0.749 7.103 18.913 1.00 0.00 C ATOM 994 O LEU A 61 0.954 7.770 17.901 1.00 0.00 O ATOM 995 CB LEU A 61 1.329 4.679 19.185 1.00 0.00 C ATOM 996 CG LEU A 61 2.418 3.617 19.352 1.00 0.00 C ATOM 997 CD1 LEU A 61 2.108 2.392 18.506 1.00 0.00 C ATOM 998 CD2 LEU A 61 3.779 4.189 18.982 1.00 0.00 C ATOM 0 H LEU A 61 2.223 5.485 21.371 1.00 0.00 H new ATOM 0 HA LEU A 61 2.717 6.278 18.860 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.516 4.458 19.877 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.919 4.604 18.178 1.00 0.00 H new ATOM 0 HG LEU A 61 2.443 3.313 20.398 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.895 1.649 18.639 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.153 1.968 18.816 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.054 2.679 17.456 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.542 3.421 19.106 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.764 4.521 17.944 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.007 5.035 19.630 1.00 0.00 H new ATOM 1010 N PRO A 62 -0.387 7.224 19.617 1.00 0.00 N ATOM 1011 CA PRO A 62 -1.448 8.147 19.232 1.00 0.00 C ATOM 1012 C PRO A 62 -0.896 9.447 18.653 1.00 0.00 C ATOM 1013 O PRO A 62 -1.540 10.090 17.824 1.00 0.00 O ATOM 1014 CB PRO A 62 -2.164 8.395 20.555 1.00 0.00 C ATOM 1015 CG PRO A 62 -2.031 7.107 21.296 1.00 0.00 C ATOM 1016 CD PRO A 62 -0.727 6.484 20.849 1.00 0.00 C ATOM 0 HA PRO A 62 -2.093 7.750 18.448 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.709 9.219 21.105 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.210 8.657 20.398 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.030 7.278 22.373 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.870 6.447 21.079 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.049 6.592 21.607 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.839 5.417 20.657 1.00 0.00 H new ATOM 1102 N ALA A 68 5.828 4.723 13.846 1.00 0.00 N ATOM 1103 CA ALA A 68 6.089 4.105 15.138 1.00 0.00 C ATOM 1104 C ALA A 68 5.353 2.786 15.289 1.00 0.00 C ATOM 1105 O ALA A 68 5.637 2.013 16.203 1.00 0.00 O ATOM 1106 CB ALA A 68 5.669 5.039 16.258 1.00 0.00 C ATOM 0 HA ALA A 68 7.160 3.910 15.195 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.869 4.567 17.220 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.233 5.969 16.187 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.604 5.253 16.173 1.00 0.00 H new ATOM 1112 N PHE A 69 4.384 2.543 14.417 1.00 0.00 N ATOM 1113 CA PHE A 69 3.593 1.326 14.502 1.00 0.00 C ATOM 1114 C PHE A 69 4.384 0.080 14.109 1.00 0.00 C ATOM 1115 O PHE A 69 4.814 -0.679 14.977 1.00 0.00 O ATOM 1116 CB PHE A 69 2.329 1.440 13.655 1.00 0.00 C ATOM 1117 CG PHE A 69 1.202 0.626 14.207 1.00 0.00 C ATOM 1118 CD1 PHE A 69 1.439 -0.302 15.206 1.00 0.00 C ATOM 1119 CD2 PHE A 69 -0.085 0.781 13.734 1.00 0.00 C ATOM 1120 CE1 PHE A 69 0.416 -1.061 15.724 1.00 0.00 C ATOM 1121 CE2 PHE A 69 -1.115 0.026 14.245 1.00 0.00 C ATOM 1122 CZ PHE A 69 -0.867 -0.899 15.244 1.00 0.00 C ATOM 0 H PHE A 69 4.129 3.166 13.651 1.00 0.00 H new ATOM 0 HA PHE A 69 3.312 1.211 15.549 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.026 2.485 13.598 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.545 1.115 12.637 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.442 -0.432 15.584 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.285 1.502 12.955 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.616 -1.781 16.504 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.118 0.155 13.866 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.675 -1.492 15.646 1.00 0.00 H new ATOM 1132 N ASP A 70 4.559 -0.137 12.808 1.00 0.00 N ATOM 1133 CA ASP A 70 5.287 -1.306 12.322 1.00 0.00 C ATOM 1134 C ASP A 70 6.415 -1.675 13.276 1.00 0.00 C ATOM 1135 O ASP A 70 6.695 -2.853 13.508 1.00 0.00 O ATOM 1136 CB ASP A 70 5.849 -1.040 10.925 1.00 0.00 C ATOM 1137 CG ASP A 70 5.317 -2.014 9.892 1.00 0.00 C ATOM 1138 OD1 ASP A 70 4.150 -1.859 9.476 1.00 0.00 O ATOM 1139 OD2 ASP A 70 6.068 -2.931 9.499 1.00 0.00 O ATOM 0 H ASP A 70 4.208 0.478 12.074 1.00 0.00 H new ATOM 0 HA ASP A 70 4.590 -2.143 12.270 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.599 -0.023 10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.937 -1.105 10.956 1.00 0.00 H new ATOM 1144 N THR A 71 7.054 -0.657 13.833 1.00 0.00 N ATOM 1145 CA THR A 71 8.148 -0.864 14.765 1.00 0.00 C ATOM 1146 C THR A 71 7.620 -1.132 16.172 1.00 0.00 C ATOM 1147 O THR A 71 8.123 -2.009 16.871 1.00 0.00 O ATOM 1148 CB THR A 71 9.078 0.353 14.756 1.00 0.00 C ATOM 1149 OG1 THR A 71 9.647 0.535 13.473 1.00 0.00 O ATOM 1150 CG2 THR A 71 10.216 0.257 15.751 1.00 0.00 C ATOM 0 H THR A 71 6.832 0.322 13.654 1.00 0.00 H new ATOM 0 HA THR A 71 8.714 -1.740 14.450 1.00 0.00 H new ATOM 0 HB THR A 71 8.447 1.196 15.038 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.237 1.317 13.485 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.832 1.154 15.687 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.811 0.166 16.759 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.825 -0.618 15.524 1.00 0.00 H new ATOM 1158 N PHE A 72 6.600 -0.382 16.587 1.00 0.00 N ATOM 1159 CA PHE A 72 6.025 -0.570 17.914 1.00 0.00 C ATOM 1160 C PHE A 72 5.638 -2.035 18.113 1.00 0.00 C ATOM 1161 O PHE A 72 5.610 -2.528 19.241 1.00 0.00 O ATOM 1162 CB PHE A 72 4.816 0.360 18.136 1.00 0.00 C ATOM 1163 CG PHE A 72 3.706 -0.261 18.946 1.00 0.00 C ATOM 1164 CD1 PHE A 72 3.931 -0.683 20.248 1.00 0.00 C ATOM 1165 CD2 PHE A 72 2.440 -0.422 18.406 1.00 0.00 C ATOM 1166 CE1 PHE A 72 2.915 -1.251 20.993 1.00 0.00 C ATOM 1167 CE2 PHE A 72 1.421 -0.990 19.145 1.00 0.00 C ATOM 1168 CZ PHE A 72 1.658 -1.405 20.441 1.00 0.00 C ATOM 0 H PHE A 72 6.161 0.352 16.031 1.00 0.00 H new ATOM 0 HA PHE A 72 6.777 -0.305 18.657 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.155 1.266 18.638 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.420 0.662 17.166 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.912 -0.566 20.685 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.248 -0.099 17.394 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.104 -1.574 22.006 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.440 -1.110 18.710 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.863 -1.849 21.021 1.00 0.00 H new ATOM 1178 N LEU A 73 5.357 -2.733 17.014 1.00 0.00 N ATOM 1179 CA LEU A 73 4.995 -4.144 17.090 1.00 0.00 C ATOM 1180 C LEU A 73 6.237 -5.009 17.095 1.00 0.00 C ATOM 1181 O LEU A 73 6.292 -6.038 17.762 1.00 0.00 O ATOM 1182 CB LEU A 73 4.093 -4.550 15.924 1.00 0.00 C ATOM 1183 CG LEU A 73 2.829 -3.720 15.764 1.00 0.00 C ATOM 1184 CD1 LEU A 73 2.840 -3.005 14.426 1.00 0.00 C ATOM 1185 CD2 LEU A 73 1.595 -4.601 15.888 1.00 0.00 C ATOM 0 H LEU A 73 5.373 -2.348 16.070 1.00 0.00 H new ATOM 0 HA LEU A 73 4.446 -4.293 18.020 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.669 -4.487 15.001 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.809 -5.595 16.052 1.00 0.00 H new ATOM 0 HG LEU A 73 2.798 -2.974 16.558 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.930 -2.414 14.322 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.708 -2.348 14.372 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.890 -3.739 13.622 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.699 -3.991 15.771 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.616 -5.367 15.113 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.585 -5.077 16.869 1.00 0.00 H new ATOM 1197 N ASP A 74 7.244 -4.574 16.362 1.00 0.00 N ATOM 1198 CA ASP A 74 8.498 -5.309 16.307 1.00 0.00 C ATOM 1199 C ASP A 74 9.084 -5.433 17.711 1.00 0.00 C ATOM 1200 O ASP A 74 9.967 -6.254 17.959 1.00 0.00 O ATOM 1201 CB ASP A 74 9.488 -4.615 15.372 1.00 0.00 C ATOM 1202 CG ASP A 74 9.752 -5.417 14.113 1.00 0.00 C ATOM 1203 OD1 ASP A 74 8.819 -6.095 13.634 1.00 0.00 O ATOM 1204 OD2 ASP A 74 10.893 -5.368 13.605 1.00 0.00 O ATOM 0 H ASP A 74 7.222 -3.723 15.800 1.00 0.00 H new ATOM 0 HA ASP A 74 8.305 -6.307 15.914 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.100 -3.634 15.100 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.428 -4.451 15.899 1.00 0.00 H new ATOM 1209 N SER A 75 8.575 -4.603 18.625 1.00 0.00 N ATOM 1210 CA SER A 75 9.026 -4.605 20.014 1.00 0.00 C ATOM 1211 C SER A 75 8.183 -5.551 20.851 1.00 0.00 C ATOM 1212 O SER A 75 8.685 -6.203 21.764 1.00 0.00 O ATOM 1213 CB SER A 75 8.928 -3.200 20.612 1.00 0.00 C ATOM 1214 OG SER A 75 7.576 -2.834 20.830 1.00 0.00 O ATOM 0 H SER A 75 7.846 -3.918 18.424 1.00 0.00 H new ATOM 0 HA SER A 75 10.064 -4.937 20.024 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.475 -3.163 21.554 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.399 -2.482 19.941 1.00 0.00 H new ATOM 0 HG SER A 75 7.071 -2.938 19.997 1.00 0.00 H new ATOM 1220 N LEU A 76 6.894 -5.597 20.525 1.00 0.00 N ATOM 1221 CA LEU A 76 5.920 -6.430 21.220 1.00 0.00 C ATOM 1222 C LEU A 76 6.543 -7.574 22.009 1.00 0.00 C ATOM 1223 O LEU A 76 6.510 -8.714 21.587 1.00 0.00 O ATOM 1224 CB LEU A 76 4.922 -6.958 20.207 1.00 0.00 C ATOM 1225 CG LEU A 76 3.765 -6.014 19.966 1.00 0.00 C ATOM 1226 CD1 LEU A 76 2.855 -6.530 18.871 1.00 0.00 C ATOM 1227 CD2 LEU A 76 3.023 -5.826 21.261 1.00 0.00 C ATOM 0 H LEU A 76 6.493 -5.051 19.763 1.00 0.00 H new ATOM 0 HA LEU A 76 5.423 -5.805 21.962 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.435 -7.143 19.263 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.535 -7.917 20.553 1.00 0.00 H new ATOM 0 HG LEU A 76 4.143 -5.050 19.625 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.033 -5.830 18.721 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.421 -6.629 17.945 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.455 -7.503 19.158 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.185 -5.147 21.105 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.650 -6.789 21.610 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.696 -5.405 22.008 1.00 0.00 H new ATOM 1239 N GLN A 77 7.093 -7.256 23.168 1.00 0.00 N ATOM 1240 CA GLN A 77 7.719 -8.258 24.029 1.00 0.00 C ATOM 1241 C GLN A 77 7.039 -9.633 23.932 1.00 0.00 C ATOM 1242 O GLN A 77 7.688 -10.660 24.132 1.00 0.00 O ATOM 1243 CB GLN A 77 7.696 -7.777 25.481 1.00 0.00 C ATOM 1244 CG GLN A 77 6.320 -7.330 25.949 1.00 0.00 C ATOM 1245 CD GLN A 77 6.383 -6.250 27.011 1.00 0.00 C ATOM 1246 OE1 GLN A 77 7.462 -5.791 27.386 1.00 0.00 O ATOM 1247 NE2 GLN A 77 5.220 -5.840 27.505 1.00 0.00 N ATOM 0 H GLN A 77 7.121 -6.307 23.541 1.00 0.00 H new ATOM 0 HA GLN A 77 8.746 -8.380 23.685 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.048 -8.581 26.128 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.396 -6.949 25.592 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.753 -6.960 25.095 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.778 -8.190 26.343 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.349 -6.248 27.165 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.198 -5.117 28.224 1.00 0.00 H new ATOM 1256 N GLU A 78 5.732 -9.657 23.656 1.00 0.00 N ATOM 1257 CA GLU A 78 4.990 -10.923 23.574 1.00 0.00 C ATOM 1258 C GLU A 78 4.330 -11.137 22.214 1.00 0.00 C ATOM 1259 O GLU A 78 3.421 -11.957 22.083 1.00 0.00 O ATOM 1260 CB GLU A 78 3.918 -10.954 24.652 1.00 0.00 C ATOM 1261 CG GLU A 78 3.517 -9.572 25.135 1.00 0.00 C ATOM 1262 CD GLU A 78 2.350 -9.603 26.104 1.00 0.00 C ATOM 1263 OE1 GLU A 78 1.472 -10.478 25.948 1.00 0.00 O ATOM 1264 OE2 GLU A 78 2.314 -8.752 27.017 1.00 0.00 O ATOM 0 H GLU A 78 5.168 -8.824 23.487 1.00 0.00 H new ATOM 0 HA GLU A 78 5.714 -11.725 23.718 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.037 -11.467 24.265 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.280 -11.537 25.499 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.372 -9.099 25.618 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.254 -8.954 24.276 1.00 0.00 H new ATOM 1271 N PHE A 79 4.781 -10.382 21.227 1.00 0.00 N ATOM 1272 CA PHE A 79 4.242 -10.446 19.857 1.00 0.00 C ATOM 1273 C PHE A 79 3.393 -11.692 19.579 1.00 0.00 C ATOM 1274 O PHE A 79 2.224 -11.574 19.213 1.00 0.00 O ATOM 1275 CB PHE A 79 5.359 -10.371 18.825 1.00 0.00 C ATOM 1276 CG PHE A 79 6.653 -9.885 19.388 1.00 0.00 C ATOM 1277 CD1 PHE A 79 7.360 -10.643 20.306 1.00 0.00 C ATOM 1278 CD2 PHE A 79 7.142 -8.644 19.029 1.00 0.00 C ATOM 1279 CE1 PHE A 79 8.530 -10.166 20.857 1.00 0.00 C ATOM 1280 CE2 PHE A 79 8.312 -8.164 19.570 1.00 0.00 C ATOM 1281 CZ PHE A 79 9.009 -8.923 20.490 1.00 0.00 C ATOM 0 H PHE A 79 5.533 -9.702 21.342 1.00 0.00 H new ATOM 0 HA PHE A 79 3.586 -9.580 19.772 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.509 -11.359 18.390 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.052 -9.709 18.015 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.991 -11.617 20.593 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.599 -8.043 18.315 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.072 -10.763 21.575 1.00 0.00 H new ATOM 0 HE2 PHE A 79 8.686 -7.194 19.276 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.925 -8.546 20.921 1.00 0.00 H new ATOM 1291 N PRO A 80 3.962 -12.904 19.723 1.00 0.00 N ATOM 1292 CA PRO A 80 3.242 -14.147 19.460 1.00 0.00 C ATOM 1293 C PRO A 80 1.764 -14.070 19.825 1.00 0.00 C ATOM 1294 O PRO A 80 0.934 -14.757 19.230 1.00 0.00 O ATOM 1295 CB PRO A 80 3.978 -15.140 20.349 1.00 0.00 C ATOM 1296 CG PRO A 80 5.395 -14.674 20.316 1.00 0.00 C ATOM 1297 CD PRO A 80 5.352 -13.171 20.140 1.00 0.00 C ATOM 0 HA PRO A 80 3.235 -14.410 18.402 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.581 -15.138 21.364 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.884 -16.159 19.972 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.912 -14.942 21.237 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.939 -15.145 19.497 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.598 -12.653 21.067 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.066 -12.836 19.388 1.00 0.00 H new ATOM 1305 N TRP A 81 1.437 -13.234 20.803 1.00 0.00 N ATOM 1306 CA TRP A 81 0.054 -13.083 21.235 1.00 0.00 C ATOM 1307 C TRP A 81 -0.404 -11.631 21.144 1.00 0.00 C ATOM 1308 O TRP A 81 -1.592 -11.359 20.972 1.00 0.00 O ATOM 1309 CB TRP A 81 -0.105 -13.587 22.668 1.00 0.00 C ATOM 1310 CG TRP A 81 -1.381 -13.144 23.314 1.00 0.00 C ATOM 1311 CD1 TRP A 81 -1.658 -11.902 23.806 1.00 0.00 C ATOM 1312 CD2 TRP A 81 -2.552 -13.937 23.539 1.00 0.00 C ATOM 1313 NE1 TRP A 81 -2.931 -11.872 24.322 1.00 0.00 N ATOM 1314 CE2 TRP A 81 -3.500 -13.109 24.170 1.00 0.00 C ATOM 1315 CE3 TRP A 81 -2.893 -15.266 23.268 1.00 0.00 C ATOM 1316 CZ2 TRP A 81 -4.764 -13.566 24.533 1.00 0.00 C ATOM 1317 CZ3 TRP A 81 -4.148 -15.718 23.629 1.00 0.00 C ATOM 1318 CH2 TRP A 81 -5.070 -14.871 24.255 1.00 0.00 C ATOM 0 H TRP A 81 2.106 -12.654 21.309 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.571 -13.677 20.568 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -0.064 -14.676 22.669 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.737 -13.236 23.265 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -0.976 -11.065 23.792 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -3.379 -11.061 24.749 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -2.188 -15.927 22.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -5.477 -12.915 25.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -4.422 -16.742 23.425 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -6.043 -15.255 24.524 1.00 0.00 H new ATOM 1329 N VAL A 82 0.537 -10.701 21.262 1.00 0.00 N ATOM 1330 CA VAL A 82 0.206 -9.283 21.194 1.00 0.00 C ATOM 1331 C VAL A 82 0.286 -8.767 19.763 1.00 0.00 C ATOM 1332 O VAL A 82 -0.513 -7.926 19.354 1.00 0.00 O ATOM 1333 CB VAL A 82 1.144 -8.445 22.078 1.00 0.00 C ATOM 1334 CG1 VAL A 82 1.041 -8.873 23.533 1.00 0.00 C ATOM 1335 CG2 VAL A 82 2.567 -8.578 21.582 1.00 0.00 C ATOM 0 H VAL A 82 1.527 -10.901 21.404 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.816 -9.181 21.559 1.00 0.00 H new ATOM 0 HB VAL A 82 0.844 -7.399 22.016 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.714 -8.266 24.139 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.017 -8.737 23.881 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.319 -9.923 23.624 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.229 -7.983 22.211 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.871 -9.624 21.624 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.628 -8.223 20.553 1.00 0.00 H new ATOM 1345 N ARG A 83 1.251 -9.278 19.004 1.00 0.00 N ATOM 1346 CA ARG A 83 1.429 -8.866 17.619 1.00 0.00 C ATOM 1347 C ARG A 83 0.267 -9.366 16.771 1.00 0.00 C ATOM 1348 O ARG A 83 -0.187 -8.678 15.856 1.00 0.00 O ATOM 1349 CB ARG A 83 2.783 -9.364 17.084 1.00 0.00 C ATOM 1350 CG ARG A 83 2.711 -10.083 15.744 1.00 0.00 C ATOM 1351 CD ARG A 83 4.086 -10.222 15.106 1.00 0.00 C ATOM 1352 NE ARG A 83 4.761 -8.934 14.965 1.00 0.00 N ATOM 1353 CZ ARG A 83 5.891 -8.766 14.284 1.00 0.00 C ATOM 1354 NH1 ARG A 83 6.464 -9.798 13.679 1.00 0.00 N ATOM 1355 NH2 ARG A 83 6.450 -7.565 14.209 1.00 0.00 N ATOM 0 H ARG A 83 1.920 -9.977 19.326 1.00 0.00 H new ATOM 0 HA ARG A 83 1.435 -7.777 17.565 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.456 -8.512 16.988 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.224 -10.037 17.819 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.273 -11.071 15.884 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.051 -9.535 15.072 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.700 -10.888 15.712 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.984 -10.686 14.125 1.00 0.00 H new ATOM 0 HE ARG A 83 4.343 -8.119 15.413 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.038 -10.723 13.735 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.331 -9.667 13.157 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.013 -6.769 14.674 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.317 -7.438 13.686 1.00 0.00 H new ATOM 1369 N GLU A 84 -0.233 -10.550 17.101 1.00 0.00 N ATOM 1370 CA GLU A 84 -1.362 -11.113 16.391 1.00 0.00 C ATOM 1371 C GLU A 84 -2.617 -10.361 16.782 1.00 0.00 C ATOM 1372 O GLU A 84 -3.384 -9.919 15.929 1.00 0.00 O ATOM 1373 CB GLU A 84 -1.508 -12.593 16.729 1.00 0.00 C ATOM 1374 CG GLU A 84 -0.197 -13.356 16.690 1.00 0.00 C ATOM 1375 CD GLU A 84 -0.050 -14.197 15.437 1.00 0.00 C ATOM 1376 OE1 GLU A 84 0.302 -13.632 14.381 1.00 0.00 O ATOM 1377 OE2 GLU A 84 -0.289 -15.421 15.513 1.00 0.00 O ATOM 0 H GLU A 84 0.128 -11.134 17.855 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.202 -11.019 15.317 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.945 -12.689 17.723 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.206 -13.050 16.028 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.632 -12.651 16.749 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.130 -14.001 17.566 1.00 0.00 H new ATOM 1384 N LYS A 85 -2.802 -10.203 18.087 1.00 0.00 N ATOM 1385 CA LYS A 85 -3.950 -9.484 18.613 1.00 0.00 C ATOM 1386 C LYS A 85 -3.928 -8.036 18.139 1.00 0.00 C ATOM 1387 O LYS A 85 -4.965 -7.374 18.080 1.00 0.00 O ATOM 1388 CB LYS A 85 -3.955 -9.541 20.141 1.00 0.00 C ATOM 1389 CG LYS A 85 -4.804 -10.667 20.707 1.00 0.00 C ATOM 1390 CD LYS A 85 -4.683 -11.935 19.874 1.00 0.00 C ATOM 1391 CE LYS A 85 -4.224 -13.114 20.717 1.00 0.00 C ATOM 1392 NZ LYS A 85 -5.281 -14.157 20.836 1.00 0.00 N ATOM 0 H LYS A 85 -2.169 -10.565 18.800 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.859 -9.958 18.243 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.931 -9.657 20.495 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.321 -8.591 20.530 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.497 -10.874 21.732 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.847 -10.353 20.743 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.646 -12.165 19.418 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.976 -11.771 19.060 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.330 -13.552 20.272 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.947 -12.763 21.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.140 -14.695 21.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.216 -13.703 20.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.225 -14.802 20.022 1.00 0.00 H new ATOM 1406 N LEU A 86 -2.741 -7.546 17.791 1.00 0.00 N ATOM 1407 CA LEU A 86 -2.601 -6.181 17.318 1.00 0.00 C ATOM 1408 C LEU A 86 -2.986 -6.082 15.859 1.00 0.00 C ATOM 1409 O LEU A 86 -3.930 -5.379 15.497 1.00 0.00 O ATOM 1410 CB LEU A 86 -1.174 -5.691 17.511 1.00 0.00 C ATOM 1411 CG LEU A 86 -1.061 -4.567 18.519 1.00 0.00 C ATOM 1412 CD1 LEU A 86 0.314 -3.927 18.473 1.00 0.00 C ATOM 1413 CD2 LEU A 86 -2.153 -3.547 18.254 1.00 0.00 C ATOM 0 H LEU A 86 -1.869 -8.074 17.829 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.271 -5.550 17.902 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.551 -6.525 17.835 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.780 -5.352 16.553 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.190 -4.972 19.523 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.366 -3.123 19.207 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.072 -4.676 18.701 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.493 -3.521 17.477 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.076 -2.735 18.977 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.040 -3.147 17.246 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.128 -4.025 18.348 1.00 0.00 H new ATOM 1425 N LYS A 87 -2.269 -6.815 15.026 1.00 0.00 N ATOM 1426 CA LYS A 87 -2.559 -6.836 13.615 1.00 0.00 C ATOM 1427 C LYS A 87 -4.009 -7.227 13.430 1.00 0.00 C ATOM 1428 O LYS A 87 -4.626 -6.917 12.411 1.00 0.00 O ATOM 1429 CB LYS A 87 -1.594 -7.791 12.901 1.00 0.00 C ATOM 1430 CG LYS A 87 -2.259 -8.969 12.207 1.00 0.00 C ATOM 1431 CD LYS A 87 -1.334 -10.169 12.161 1.00 0.00 C ATOM 1432 CE LYS A 87 -1.738 -11.141 11.063 1.00 0.00 C ATOM 1433 NZ LYS A 87 -0.564 -11.855 10.491 1.00 0.00 N ATOM 0 H LYS A 87 -1.483 -7.401 15.308 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.414 -5.852 13.170 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.026 -7.226 12.162 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.878 -8.173 13.629 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.177 -9.233 12.732 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.542 -8.685 11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.310 -9.835 11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.350 -10.679 13.124 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.444 -11.868 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.254 -10.599 10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.883 -12.507 9.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.099 -11.164 10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.086 -12.394 11.241 1.00 0.00 H new ATOM 1447 N LYS A 88 -4.562 -7.875 14.451 1.00 0.00 N ATOM 1448 CA LYS A 88 -5.951 -8.255 14.412 1.00 0.00 C ATOM 1449 C LYS A 88 -6.788 -6.988 14.491 1.00 0.00 C ATOM 1450 O LYS A 88 -7.780 -6.828 13.781 1.00 0.00 O ATOM 1451 CB LYS A 88 -6.278 -9.221 15.563 1.00 0.00 C ATOM 1452 CG LYS A 88 -7.330 -8.718 16.542 1.00 0.00 C ATOM 1453 CD LYS A 88 -7.137 -9.330 17.912 1.00 0.00 C ATOM 1454 CE LYS A 88 -8.466 -9.555 18.614 1.00 0.00 C ATOM 1455 NZ LYS A 88 -8.732 -8.515 19.645 1.00 0.00 N ATOM 0 H LYS A 88 -4.067 -8.141 15.302 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.176 -8.781 13.484 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.619 -10.166 15.139 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.361 -9.431 16.114 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.274 -7.632 16.614 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.325 -8.962 16.168 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.610 -10.279 17.817 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.510 -8.676 18.519 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.270 -9.551 17.878 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -8.467 -10.539 19.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.648 -8.704 20.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.978 -8.535 20.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.756 -7.578 19.195 1.00 0.00 H new ATOM 1469 N ALA A 89 -6.352 -6.081 15.364 1.00 0.00 N ATOM 1470 CA ALA A 89 -7.027 -4.810 15.549 1.00 0.00 C ATOM 1471 C ALA A 89 -6.679 -3.845 14.423 1.00 0.00 C ATOM 1472 O ALA A 89 -7.322 -2.815 14.264 1.00 0.00 O ATOM 1473 CB ALA A 89 -6.667 -4.207 16.897 1.00 0.00 C ATOM 0 H ALA A 89 -5.530 -6.210 15.954 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.102 -4.988 15.526 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.182 -3.254 17.019 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.970 -4.888 17.693 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.590 -4.046 16.948 1.00 0.00 H new ATOM 1479 N ARG A 90 -5.681 -4.187 13.616 1.00 0.00 N ATOM 1480 CA ARG A 90 -5.312 -3.336 12.502 1.00 0.00 C ATOM 1481 C ARG A 90 -6.287 -3.613 11.386 1.00 0.00 C ATOM 1482 O ARG A 90 -6.681 -2.729 10.626 1.00 0.00 O ATOM 1483 CB ARG A 90 -3.864 -3.610 12.064 1.00 0.00 C ATOM 1484 CG ARG A 90 -3.671 -3.726 10.557 1.00 0.00 C ATOM 1485 CD ARG A 90 -2.297 -3.238 10.128 1.00 0.00 C ATOM 1486 NE ARG A 90 -2.377 -2.300 9.013 1.00 0.00 N ATOM 1487 CZ ARG A 90 -2.889 -2.611 7.827 1.00 0.00 C ATOM 1488 NH1 ARG A 90 -3.347 -3.835 7.603 1.00 0.00 N ATOM 1489 NH2 ARG A 90 -2.941 -1.701 6.865 1.00 0.00 N ATOM 0 H ARG A 90 -5.123 -5.035 13.713 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.357 -2.285 12.786 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.227 -2.809 12.439 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.524 -4.533 12.533 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.800 -4.765 10.252 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.439 -3.146 10.046 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.802 -2.757 10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.682 -4.091 9.842 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.021 -1.354 9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.306 -4.538 8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.740 -4.074 6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.587 -0.759 7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.335 -1.942 5.955 1.00 0.00 H new ATOM 1503 N GLU A 91 -6.683 -4.865 11.337 1.00 0.00 N ATOM 1504 CA GLU A 91 -7.637 -5.338 10.369 1.00 0.00 C ATOM 1505 C GLU A 91 -9.052 -5.036 10.854 1.00 0.00 C ATOM 1506 O GLU A 91 -9.956 -4.781 10.059 1.00 0.00 O ATOM 1507 CB GLU A 91 -7.440 -6.838 10.191 1.00 0.00 C ATOM 1508 CG GLU A 91 -6.318 -7.190 9.230 1.00 0.00 C ATOM 1509 CD GLU A 91 -6.728 -8.228 8.203 1.00 0.00 C ATOM 1510 OE1 GLU A 91 -7.919 -8.254 7.827 1.00 0.00 O ATOM 1511 OE2 GLU A 91 -5.858 -9.015 7.775 1.00 0.00 O ATOM 0 H GLU A 91 -6.347 -5.587 11.975 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.489 -4.836 9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.231 -7.287 11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.369 -7.278 9.830 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.989 -6.287 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.464 -7.563 9.796 1.00 0.00 H new ATOM 1518 N GLU A 92 -9.228 -5.071 12.176 1.00 0.00 N ATOM 1519 CA GLU A 92 -10.524 -4.808 12.795 1.00 0.00 C ATOM 1520 C GLU A 92 -10.702 -3.331 13.160 1.00 0.00 C ATOM 1521 O GLU A 92 -11.677 -2.700 12.752 1.00 0.00 O ATOM 1522 CB GLU A 92 -10.699 -5.677 14.042 1.00 0.00 C ATOM 1523 CG GLU A 92 -11.496 -6.948 13.790 1.00 0.00 C ATOM 1524 CD GLU A 92 -11.460 -7.905 14.966 1.00 0.00 C ATOM 1525 OE1 GLU A 92 -10.357 -8.375 15.314 1.00 0.00 O ATOM 1526 OE2 GLU A 92 -12.534 -8.183 15.538 1.00 0.00 O ATOM 0 H GLU A 92 -8.483 -5.280 12.840 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.290 -5.060 12.061 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.716 -5.945 14.429 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.198 -5.092 14.815 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.531 -6.685 13.572 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.102 -7.450 12.906 1.00 0.00 H new ATOM 1533 N ALA A 93 -9.770 -2.786 13.946 1.00 0.00 N ATOM 1534 CA ALA A 93 -9.857 -1.388 14.371 1.00 0.00 C ATOM 1535 C ALA A 93 -9.857 -0.440 13.176 1.00 0.00 C ATOM 1536 O ALA A 93 -10.267 0.715 13.291 1.00 0.00 O ATOM 1537 CB ALA A 93 -8.724 -1.037 15.333 1.00 0.00 C ATOM 0 H ALA A 93 -8.954 -3.287 14.298 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.804 -1.265 14.896 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.812 0.007 15.633 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.785 -1.675 16.215 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.765 -1.193 14.838 1.00 0.00 H new ATOM 1543 N MET A 94 -9.405 -0.931 12.026 1.00 0.00 N ATOM 1544 CA MET A 94 -9.369 -0.116 10.817 1.00 0.00 C ATOM 1545 C MET A 94 -10.784 0.247 10.379 1.00 0.00 C ATOM 1546 O MET A 94 -11.649 -0.622 10.266 1.00 0.00 O ATOM 1547 CB MET A 94 -8.645 -0.856 9.689 1.00 0.00 C ATOM 1548 CG MET A 94 -9.210 -2.238 9.406 1.00 0.00 C ATOM 1549 SD MET A 94 -10.382 -2.240 8.036 1.00 0.00 S ATOM 1550 CE MET A 94 -9.346 -2.839 6.703 1.00 0.00 C ATOM 0 H MET A 94 -9.061 -1.884 11.906 1.00 0.00 H new ATOM 0 HA MET A 94 -8.822 0.800 11.039 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.699 -0.257 8.780 1.00 0.00 H new ATOM 0 HB3 MET A 94 -7.590 -0.950 9.946 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.392 -2.922 9.180 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.703 -2.615 10.302 1.00 0.00 H new ATOM 0 HE1 MET A 94 -9.931 -2.895 5.785 1.00 0.00 H new ATOM 0 HE2 MET A 94 -8.508 -2.157 6.558 1.00 0.00 H new ATOM 0 HE3 MET A 94 -8.968 -3.830 6.954 1.00 0.00 H new