USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 696 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 81 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 85 GLN : amide:sc= -1.35 K(o=-1.4,f=-2.2) USER MOD Set 2.1: A 6 SER OG : rot -160:sc= -2.14 USER MOD Set 2.2: A 20 MET CE :methyl 138:sc= -2.04 (180deg=-0.503) USER MOD Single : A 1 GLY N :NH3+ 149:sc= 0.00469 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -58:sc= 0.469 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 20:sc= 1.26 USER MOD Single : A 19 GLN : amide:sc= -0.0478 K(o=-0.048,f=-1.5) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 27 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.19) USER MOD Single : A 32 THR OG1 : rot 180:sc=4.22e-05 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.032) USER MOD Single : A 38 TYR OH : rot -169:sc= 0.766 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -150:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc=-0.00774 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc=-0.00937 K(o=-0.0094,f=-0.98) USER MOD Single : A 63 HIS : no HE2:sc= -6.68! C(o=-6.7!,f=-4.1!) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 67 ASN : amide:sc= -0.461 K(o=-0.46,f=-2.4) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -159:sc= -3.75! (180deg=-4.1!) USER MOD Single : A 78 MET CE :methyl -124:sc= 0 (180deg=-0.104) USER MOD Single : A 79 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.52) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 75:sc= 0.021 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 117:sc= 0.0223 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.074 -21.212 -14.656 1.00 0.00 N ATOM 2 CA GLY A 1 -16.629 -20.040 -13.926 1.00 0.00 C ATOM 3 C GLY A 1 -16.610 -20.263 -12.427 1.00 0.00 C ATOM 4 O GLY A 1 -17.498 -20.912 -11.878 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.562 -20.915 -15.525 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.252 -21.799 -14.904 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.727 -21.763 -14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.629 -19.765 -14.262 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.285 -19.201 -14.157 1.00 0.00 H new ATOM 8 N SER A 2 -15.592 -19.724 -11.764 1.00 0.00 N ATOM 9 CA SER A 2 -15.456 -19.871 -10.320 1.00 0.00 C ATOM 10 C SER A 2 -16.654 -19.264 -9.597 1.00 0.00 C ATOM 11 O SER A 2 -17.348 -19.945 -8.841 1.00 0.00 O ATOM 12 CB SER A 2 -14.166 -19.208 -9.836 1.00 0.00 C ATOM 13 OG SER A 2 -13.077 -20.115 -9.883 1.00 0.00 O ATOM 0 H SER A 2 -14.849 -19.181 -12.204 1.00 0.00 H new ATOM 0 HA SER A 2 -15.416 -20.936 -10.092 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.946 -18.338 -10.455 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.299 -18.848 -8.816 1.00 0.00 H new ATOM 0 HG SER A 2 -12.264 -19.666 -9.570 1.00 0.00 H new ATOM 19 N SER A 3 -16.892 -17.977 -9.835 1.00 0.00 N ATOM 20 CA SER A 3 -18.005 -17.276 -9.205 1.00 0.00 C ATOM 21 C SER A 3 -18.158 -17.700 -7.748 1.00 0.00 C ATOM 22 O SER A 3 -19.271 -17.902 -7.263 1.00 0.00 O ATOM 23 CB SER A 3 -19.302 -17.545 -9.967 1.00 0.00 C ATOM 24 OG SER A 3 -20.358 -16.735 -9.479 1.00 0.00 O ATOM 0 H SER A 3 -16.329 -17.399 -10.459 1.00 0.00 H new ATOM 0 HA SER A 3 -17.792 -16.207 -9.233 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.151 -17.350 -11.029 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.572 -18.597 -9.871 1.00 0.00 H new ATOM 0 HG SER A 3 -20.491 -16.911 -8.524 1.00 0.00 H new ATOM 30 N GLY A 4 -17.032 -17.835 -7.053 1.00 0.00 N ATOM 31 CA GLY A 4 -17.063 -18.235 -5.659 1.00 0.00 C ATOM 32 C GLY A 4 -15.954 -17.594 -4.848 1.00 0.00 C ATOM 33 O GLY A 4 -15.807 -16.373 -4.841 1.00 0.00 O ATOM 0 H GLY A 4 -16.099 -17.674 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.027 -17.965 -5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.977 -19.320 -5.593 1.00 0.00 H new ATOM 37 N SER A 5 -15.173 -18.422 -4.160 1.00 0.00 N ATOM 38 CA SER A 5 -14.075 -17.928 -3.336 1.00 0.00 C ATOM 39 C SER A 5 -12.790 -17.824 -4.151 1.00 0.00 C ATOM 40 O SER A 5 -12.518 -18.660 -5.012 1.00 0.00 O ATOM 41 CB SER A 5 -13.857 -18.849 -2.134 1.00 0.00 C ATOM 42 OG SER A 5 -12.651 -18.535 -1.463 1.00 0.00 O ATOM 0 H SER A 5 -15.280 -19.436 -4.157 1.00 0.00 H new ATOM 0 HA SER A 5 -14.340 -16.933 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.696 -18.756 -1.444 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.832 -19.887 -2.467 1.00 0.00 H new ATOM 0 HG SER A 5 -12.536 -19.137 -0.698 1.00 0.00 H new ATOM 48 N SER A 6 -12.002 -16.790 -3.872 1.00 0.00 N ATOM 49 CA SER A 6 -10.746 -16.572 -4.579 1.00 0.00 C ATOM 50 C SER A 6 -9.558 -17.002 -3.724 1.00 0.00 C ATOM 51 O SER A 6 -8.480 -17.293 -4.240 1.00 0.00 O ATOM 52 CB SER A 6 -10.602 -15.100 -4.967 1.00 0.00 C ATOM 53 OG SER A 6 -10.386 -14.290 -3.825 1.00 0.00 O ATOM 0 H SER A 6 -12.212 -16.090 -3.161 1.00 0.00 H new ATOM 0 HA SER A 6 -10.759 -17.179 -5.484 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.770 -14.984 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.501 -14.768 -5.487 1.00 0.00 H new ATOM 0 HG SER A 6 -10.610 -13.360 -4.037 1.00 0.00 H new ATOM 59 N GLY A 7 -9.765 -17.040 -2.411 1.00 0.00 N ATOM 60 CA GLY A 7 -8.703 -17.435 -1.503 1.00 0.00 C ATOM 61 C GLY A 7 -7.568 -16.431 -1.467 1.00 0.00 C ATOM 62 O GLY A 7 -7.290 -15.760 -2.462 1.00 0.00 O ATOM 0 H GLY A 7 -10.649 -16.804 -1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.112 -17.552 -0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.314 -18.408 -1.805 1.00 0.00 H new ATOM 66 N CYS A 8 -6.911 -16.325 -0.317 1.00 0.00 N ATOM 67 CA CYS A 8 -5.800 -15.395 -0.154 1.00 0.00 C ATOM 68 C CYS A 8 -4.479 -16.144 -0.009 1.00 0.00 C ATOM 69 O CYS A 8 -4.459 -17.347 0.248 1.00 0.00 O ATOM 70 CB CYS A 8 -6.030 -14.504 1.069 1.00 0.00 C ATOM 71 SG CYS A 8 -4.961 -13.030 1.128 1.00 0.00 S ATOM 0 H CYS A 8 -7.129 -16.872 0.516 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.747 -14.771 -1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.072 -14.184 1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.867 -15.094 1.971 1.00 0.00 H new ATOM 76 N LYS A 9 -3.376 -15.423 -0.179 1.00 0.00 N ATOM 77 CA LYS A 9 -2.049 -16.017 -0.066 1.00 0.00 C ATOM 78 C LYS A 9 -1.418 -15.690 1.283 1.00 0.00 C ATOM 79 O LYS A 9 -0.737 -16.526 1.880 1.00 0.00 O ATOM 80 CB LYS A 9 -1.146 -15.517 -1.197 1.00 0.00 C ATOM 81 CG LYS A 9 -1.346 -16.258 -2.508 1.00 0.00 C ATOM 82 CD LYS A 9 -2.649 -15.860 -3.182 1.00 0.00 C ATOM 83 CE LYS A 9 -2.766 -16.466 -4.572 1.00 0.00 C ATOM 84 NZ LYS A 9 -4.184 -16.715 -4.950 1.00 0.00 N ATOM 0 H LYS A 9 -3.375 -14.426 -0.396 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.156 -17.099 -0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.333 -14.455 -1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.105 -15.614 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.511 -16.048 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.344 -17.332 -2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.490 -16.185 -2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.707 -14.774 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.308 -15.796 -5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.211 -17.403 -4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.222 -17.128 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.614 -17.374 -4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.709 -15.817 -4.941 1.00 0.00 H new ATOM 98 N LEU A 10 -1.650 -14.472 1.759 1.00 0.00 N ATOM 99 CA LEU A 10 -1.105 -14.035 3.041 1.00 0.00 C ATOM 100 C LEU A 10 -1.843 -14.698 4.200 1.00 0.00 C ATOM 101 O LEU A 10 -1.309 -15.590 4.860 1.00 0.00 O ATOM 102 CB LEU A 10 -1.200 -12.513 3.164 1.00 0.00 C ATOM 103 CG LEU A 10 -0.381 -11.706 2.157 1.00 0.00 C ATOM 104 CD1 LEU A 10 -0.966 -10.311 1.989 1.00 0.00 C ATOM 105 CD2 LEU A 10 1.074 -11.626 2.594 1.00 0.00 C ATOM 0 H LEU A 10 -2.211 -13.769 1.278 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.057 -14.332 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.247 -12.225 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.885 -12.229 4.168 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.423 -12.214 1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.370 -9.751 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.992 -10.388 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.955 -9.794 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.642 -11.048 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.135 -11.141 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.489 -12.632 2.662 1.00 0.00 H new ATOM 117 N CYS A 11 -3.074 -14.258 4.440 1.00 0.00 N ATOM 118 CA CYS A 11 -3.886 -14.809 5.518 1.00 0.00 C ATOM 119 C CYS A 11 -4.338 -16.228 5.188 1.00 0.00 C ATOM 120 O CYS A 11 -4.637 -17.020 6.082 1.00 0.00 O ATOM 121 CB CYS A 11 -5.104 -13.919 5.773 1.00 0.00 C ATOM 122 SG CYS A 11 -6.278 -13.850 4.381 1.00 0.00 S ATOM 0 H CYS A 11 -3.531 -13.521 3.902 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.274 -14.843 6.420 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.627 -14.282 6.658 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.762 -12.908 5.997 1.00 0.00 H new ATOM 127 N LEU A 12 -4.386 -16.542 3.898 1.00 0.00 N ATOM 128 CA LEU A 12 -4.802 -17.866 3.448 1.00 0.00 C ATOM 129 C LEU A 12 -6.204 -18.196 3.950 1.00 0.00 C ATOM 130 O LEU A 12 -6.444 -19.279 4.482 1.00 0.00 O ATOM 131 CB LEU A 12 -3.811 -18.925 3.933 1.00 0.00 C ATOM 132 CG LEU A 12 -2.335 -18.647 3.643 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.451 -19.337 4.670 1.00 0.00 C ATOM 134 CD2 LEU A 12 -1.974 -19.098 2.236 1.00 0.00 C ATOM 0 H LEU A 12 -4.142 -15.898 3.145 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.818 -17.864 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.933 -19.042 5.010 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.077 -19.879 3.477 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.166 -17.572 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.404 -19.128 4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.692 -18.965 5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.622 -20.413 4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.920 -18.892 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.158 -20.168 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.584 -18.557 1.513 1.00 0.00 H new ATOM 146 N GLY A 13 -7.127 -17.255 3.774 1.00 0.00 N ATOM 147 CA GLY A 13 -8.495 -17.467 4.213 1.00 0.00 C ATOM 148 C GLY A 13 -9.449 -17.677 3.054 1.00 0.00 C ATOM 149 O GLY A 13 -9.067 -18.219 2.017 1.00 0.00 O ATOM 0 H GLY A 13 -6.952 -16.351 3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.532 -18.335 4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.823 -16.608 4.799 1.00 0.00 H new ATOM 153 N GLU A 14 -10.695 -17.249 3.230 1.00 0.00 N ATOM 154 CA GLU A 14 -11.707 -17.397 2.191 1.00 0.00 C ATOM 155 C GLU A 14 -12.690 -16.229 2.219 1.00 0.00 C ATOM 156 O GLU A 14 -13.436 -16.054 3.184 1.00 0.00 O ATOM 157 CB GLU A 14 -12.461 -18.716 2.366 1.00 0.00 C ATOM 158 CG GLU A 14 -11.630 -19.941 2.026 1.00 0.00 C ATOM 159 CD GLU A 14 -10.875 -20.484 3.224 1.00 0.00 C ATOM 160 OE1 GLU A 14 -11.532 -20.861 4.218 1.00 0.00 O ATOM 161 OE2 GLU A 14 -9.628 -20.532 3.169 1.00 0.00 O ATOM 0 H GLU A 14 -11.028 -16.797 4.082 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.201 -17.402 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.804 -18.795 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.350 -18.703 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.282 -20.719 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.920 -19.687 1.239 1.00 0.00 H new ATOM 168 N TYR A 15 -12.684 -15.433 1.156 1.00 0.00 N ATOM 169 CA TYR A 15 -13.573 -14.281 1.059 1.00 0.00 C ATOM 170 C TYR A 15 -14.119 -14.131 -0.357 1.00 0.00 C ATOM 171 O TYR A 15 -13.502 -14.555 -1.336 1.00 0.00 O ATOM 172 CB TYR A 15 -12.834 -13.006 1.470 1.00 0.00 C ATOM 173 CG TYR A 15 -11.858 -13.211 2.607 1.00 0.00 C ATOM 174 CD1 TYR A 15 -10.577 -13.692 2.369 1.00 0.00 C ATOM 175 CD2 TYR A 15 -12.217 -12.925 3.917 1.00 0.00 C ATOM 176 CE1 TYR A 15 -9.681 -13.883 3.403 1.00 0.00 C ATOM 177 CE2 TYR A 15 -11.328 -13.111 4.959 1.00 0.00 C ATOM 178 CZ TYR A 15 -10.061 -13.589 4.697 1.00 0.00 C ATOM 179 OH TYR A 15 -9.173 -13.777 5.731 1.00 0.00 O ATOM 0 H TYR A 15 -12.074 -15.564 0.349 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.412 -14.443 1.736 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.296 -12.614 0.607 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.564 -12.251 1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.276 -13.921 1.357 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.208 -12.551 4.126 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.689 -14.260 3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.624 -12.883 5.972 1.00 0.00 H new ATOM 0 HH TYR A 15 -8.260 -13.809 5.376 1.00 0.00 H new ATOM 189 N PRO A 16 -15.303 -13.513 -0.471 1.00 0.00 N ATOM 190 CA PRO A 16 -15.959 -13.291 -1.763 1.00 0.00 C ATOM 191 C PRO A 16 -15.229 -12.260 -2.614 1.00 0.00 C ATOM 192 O PRO A 16 -14.677 -11.289 -2.095 1.00 0.00 O ATOM 193 CB PRO A 16 -17.348 -12.777 -1.372 1.00 0.00 C ATOM 194 CG PRO A 16 -17.160 -12.168 -0.025 1.00 0.00 C ATOM 195 CD PRO A 16 -16.094 -12.983 0.653 1.00 0.00 C ATOM 0 HA PRO A 16 -15.980 -14.196 -2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.716 -12.044 -2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.076 -13.587 -1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.859 -11.124 -0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -18.089 -12.188 0.545 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.485 -12.373 1.320 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.523 -13.784 1.256 1.00 0.00 H new ATOM 203 N VAL A 17 -15.229 -12.474 -3.927 1.00 0.00 N ATOM 204 CA VAL A 17 -14.568 -11.561 -4.851 1.00 0.00 C ATOM 205 C VAL A 17 -14.936 -10.112 -4.551 1.00 0.00 C ATOM 206 O VAL A 17 -14.232 -9.186 -4.953 1.00 0.00 O ATOM 207 CB VAL A 17 -14.933 -11.879 -6.313 1.00 0.00 C ATOM 208 CG1 VAL A 17 -14.360 -13.226 -6.725 1.00 0.00 C ATOM 209 CG2 VAL A 17 -16.442 -11.852 -6.503 1.00 0.00 C ATOM 0 H VAL A 17 -15.680 -13.272 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.495 -11.696 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.495 -11.113 -6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.628 -13.434 -7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.275 -13.205 -6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.766 -14.006 -6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.682 -12.079 -7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.904 -12.595 -5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.823 -10.862 -6.250 1.00 0.00 H new ATOM 219 N GLU A 18 -16.043 -9.924 -3.840 1.00 0.00 N ATOM 220 CA GLU A 18 -16.506 -8.587 -3.486 1.00 0.00 C ATOM 221 C GLU A 18 -15.547 -7.923 -2.501 1.00 0.00 C ATOM 222 O GLU A 18 -15.277 -6.726 -2.594 1.00 0.00 O ATOM 223 CB GLU A 18 -17.911 -8.652 -2.884 1.00 0.00 C ATOM 224 CG GLU A 18 -19.016 -8.740 -3.924 1.00 0.00 C ATOM 225 CD GLU A 18 -19.112 -7.493 -4.780 1.00 0.00 C ATOM 226 OE1 GLU A 18 -18.270 -7.328 -5.687 1.00 0.00 O ATOM 227 OE2 GLU A 18 -20.030 -6.679 -4.542 1.00 0.00 O ATOM 0 H GLU A 18 -16.636 -10.680 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.537 -7.988 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -17.975 -9.517 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -18.074 -7.768 -2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -18.838 -9.603 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -19.969 -8.906 -3.422 1.00 0.00 H new ATOM 234 N GLN A 19 -15.040 -8.710 -1.557 1.00 0.00 N ATOM 235 CA GLN A 19 -14.113 -8.198 -0.554 1.00 0.00 C ATOM 236 C GLN A 19 -12.669 -8.495 -0.946 1.00 0.00 C ATOM 237 O GLN A 19 -11.851 -8.864 -0.104 1.00 0.00 O ATOM 238 CB GLN A 19 -14.420 -8.812 0.812 1.00 0.00 C ATOM 239 CG GLN A 19 -15.681 -8.261 1.459 1.00 0.00 C ATOM 240 CD GLN A 19 -16.271 -9.206 2.487 1.00 0.00 C ATOM 241 OE1 GLN A 19 -15.688 -10.245 2.799 1.00 0.00 O ATOM 242 NE2 GLN A 19 -17.434 -8.851 3.018 1.00 0.00 N ATOM 0 H GLN A 19 -15.255 -9.703 -1.466 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.239 -7.117 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.521 -9.892 0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.575 -8.638 1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.453 -7.308 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.424 -8.061 0.686 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.882 -7.981 2.730 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -17.880 -9.448 3.714 1.00 0.00 H new ATOM 251 N MET A 20 -12.364 -8.329 -2.229 1.00 0.00 N ATOM 252 CA MET A 20 -11.018 -8.578 -2.731 1.00 0.00 C ATOM 253 C MET A 20 -10.611 -7.516 -3.748 1.00 0.00 C ATOM 254 O MET A 20 -11.458 -6.800 -4.285 1.00 0.00 O ATOM 255 CB MET A 20 -10.935 -9.967 -3.366 1.00 0.00 C ATOM 256 CG MET A 20 -11.575 -11.059 -2.524 1.00 0.00 C ATOM 257 SD MET A 20 -10.546 -11.552 -1.129 1.00 0.00 S ATOM 258 CE MET A 20 -9.312 -12.555 -1.955 1.00 0.00 C ATOM 0 H MET A 20 -13.030 -8.024 -2.939 1.00 0.00 H new ATOM 0 HA MET A 20 -10.329 -8.531 -1.888 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.420 -9.941 -4.342 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.888 -10.218 -3.537 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.539 -10.709 -2.154 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.771 -11.929 -3.151 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.327 -12.331 -1.545 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.538 -13.610 -1.801 1.00 0.00 H new ATOM 0 HE3 MET A 20 -9.319 -12.334 -3.022 1.00 0.00 H new ATOM 268 N THR A 21 -9.311 -7.420 -4.010 1.00 0.00 N ATOM 269 CA THR A 21 -8.794 -6.444 -4.961 1.00 0.00 C ATOM 270 C THR A 21 -7.788 -7.084 -5.912 1.00 0.00 C ATOM 271 O THR A 21 -6.823 -7.713 -5.479 1.00 0.00 O ATOM 272 CB THR A 21 -8.122 -5.259 -4.241 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.036 -4.669 -3.311 1.00 0.00 O ATOM 274 CG2 THR A 21 -7.661 -4.210 -5.242 1.00 0.00 C ATOM 0 H THR A 21 -8.597 -8.006 -3.577 1.00 0.00 H new ATOM 0 HA THR A 21 -9.646 -6.076 -5.532 1.00 0.00 H new ATOM 0 HB THR A 21 -7.251 -5.635 -3.704 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.601 -3.918 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.190 -3.383 -4.711 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.943 -4.655 -5.931 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.520 -3.839 -5.802 1.00 0.00 H new ATOM 282 N THR A 22 -8.020 -6.919 -7.210 1.00 0.00 N ATOM 283 CA THR A 22 -7.135 -7.480 -8.223 1.00 0.00 C ATOM 284 C THR A 22 -6.162 -6.430 -8.745 1.00 0.00 C ATOM 285 O THR A 22 -6.541 -5.283 -8.984 1.00 0.00 O ATOM 286 CB THR A 22 -7.932 -8.060 -9.406 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.816 -9.087 -8.945 1.00 0.00 O ATOM 288 CG2 THR A 22 -6.995 -8.628 -10.463 1.00 0.00 C ATOM 0 H THR A 22 -8.814 -6.401 -7.585 1.00 0.00 H new ATOM 0 HA THR A 22 -6.575 -8.283 -7.744 1.00 0.00 H new ATOM 0 HB THR A 22 -8.514 -7.254 -9.853 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.320 -9.449 -9.703 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.580 -9.032 -11.289 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.342 -7.837 -10.833 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.390 -9.422 -10.024 1.00 0.00 H new ATOM 296 N ILE A 23 -4.907 -6.829 -8.922 1.00 0.00 N ATOM 297 CA ILE A 23 -3.879 -5.921 -9.418 1.00 0.00 C ATOM 298 C ILE A 23 -3.713 -6.053 -10.928 1.00 0.00 C ATOM 299 O ILE A 23 -3.508 -7.149 -11.446 1.00 0.00 O ATOM 300 CB ILE A 23 -2.522 -6.181 -8.739 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.700 -6.307 -7.225 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.541 -5.067 -9.072 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.437 -6.712 -6.498 1.00 0.00 C ATOM 0 H ILE A 23 -4.577 -7.775 -8.729 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.208 -4.910 -9.177 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.117 -7.120 -9.117 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.048 -5.353 -6.828 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.479 -7.041 -7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.586 -5.265 -8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.395 -5.021 -10.151 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.938 -4.115 -8.719 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.639 -6.781 -5.429 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.099 -7.680 -6.867 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.661 -5.966 -6.673 1.00 0.00 H new ATOM 315 N ALA A 24 -3.803 -4.926 -11.628 1.00 0.00 N ATOM 316 CA ALA A 24 -3.658 -4.914 -13.078 1.00 0.00 C ATOM 317 C ALA A 24 -2.189 -4.871 -13.483 1.00 0.00 C ATOM 318 O ALA A 24 -1.850 -4.401 -14.569 1.00 0.00 O ATOM 319 CB ALA A 24 -4.408 -3.731 -13.674 1.00 0.00 C ATOM 0 H ALA A 24 -3.976 -4.010 -11.214 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.088 -5.836 -13.469 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.291 -3.735 -14.758 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.466 -3.807 -13.423 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.005 -2.803 -13.269 1.00 0.00 H new ATOM 325 N GLN A 25 -1.323 -5.363 -12.604 1.00 0.00 N ATOM 326 CA GLN A 25 0.111 -5.379 -12.870 1.00 0.00 C ATOM 327 C GLN A 25 0.635 -6.809 -12.943 1.00 0.00 C ATOM 328 O GLN A 25 1.406 -7.154 -13.838 1.00 0.00 O ATOM 329 CB GLN A 25 0.861 -4.601 -11.788 1.00 0.00 C ATOM 330 CG GLN A 25 0.996 -3.116 -12.087 1.00 0.00 C ATOM 331 CD GLN A 25 2.222 -2.799 -12.919 1.00 0.00 C ATOM 332 OE1 GLN A 25 3.335 -2.719 -12.400 1.00 0.00 O ATOM 333 NE2 GLN A 25 2.024 -2.614 -14.219 1.00 0.00 N ATOM 0 H GLN A 25 -1.589 -5.756 -11.701 1.00 0.00 H new ATOM 0 HA GLN A 25 0.282 -4.900 -13.834 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.342 -4.726 -10.837 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.856 -5.030 -11.667 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.105 -2.773 -12.613 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.045 -2.563 -11.149 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.084 -2.690 -14.608 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.812 -2.396 -14.829 1.00 0.00 H new ATOM 342 N CYS A 26 0.213 -7.637 -11.993 1.00 0.00 N ATOM 343 CA CYS A 26 0.641 -9.030 -11.948 1.00 0.00 C ATOM 344 C CYS A 26 -0.550 -9.957 -11.722 1.00 0.00 C ATOM 345 O CYS A 26 -0.411 -11.028 -11.131 1.00 0.00 O ATOM 346 CB CYS A 26 1.676 -9.231 -10.839 1.00 0.00 C ATOM 347 SG CYS A 26 1.165 -8.579 -9.216 1.00 0.00 S ATOM 0 H CYS A 26 -0.425 -7.367 -11.244 1.00 0.00 H new ATOM 0 HA CYS A 26 1.094 -9.277 -12.908 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.885 -10.296 -10.741 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.608 -8.749 -11.135 1.00 0.00 H new ATOM 352 N GLN A 27 -1.718 -9.537 -12.196 1.00 0.00 N ATOM 353 CA GLN A 27 -2.932 -10.330 -12.045 1.00 0.00 C ATOM 354 C GLN A 27 -2.957 -11.037 -10.693 1.00 0.00 C ATOM 355 O GLN A 27 -3.233 -12.234 -10.612 1.00 0.00 O ATOM 356 CB GLN A 27 -3.040 -11.357 -13.173 1.00 0.00 C ATOM 357 CG GLN A 27 -3.618 -10.789 -14.459 1.00 0.00 C ATOM 358 CD GLN A 27 -5.077 -10.403 -14.323 1.00 0.00 C ATOM 359 OE1 GLN A 27 -5.971 -11.229 -14.513 1.00 0.00 O ATOM 360 NE2 GLN A 27 -5.328 -9.142 -13.991 1.00 0.00 N ATOM 0 H GLN A 27 -1.849 -8.653 -12.687 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.785 -9.654 -12.096 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.050 -11.765 -13.378 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.663 -12.187 -12.839 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.041 -9.914 -14.757 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.514 -11.525 -15.256 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.557 -8.491 -13.843 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.292 -8.825 -13.884 1.00 0.00 H new ATOM 369 N CYS A 28 -2.666 -10.289 -9.635 1.00 0.00 N ATOM 370 CA CYS A 28 -2.653 -10.843 -8.286 1.00 0.00 C ATOM 371 C CYS A 28 -3.831 -10.316 -7.471 1.00 0.00 C ATOM 372 O CYS A 28 -4.094 -9.114 -7.445 1.00 0.00 O ATOM 373 CB CYS A 28 -1.339 -10.499 -7.583 1.00 0.00 C ATOM 374 SG CYS A 28 0.088 -11.478 -8.155 1.00 0.00 S ATOM 0 H CYS A 28 -2.436 -9.297 -9.685 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.742 -11.927 -8.364 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.124 -9.441 -7.734 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.463 -10.649 -6.511 1.00 0.00 H new ATOM 379 N ILE A 29 -4.537 -11.226 -6.807 1.00 0.00 N ATOM 380 CA ILE A 29 -5.685 -10.854 -5.990 1.00 0.00 C ATOM 381 C ILE A 29 -5.383 -11.027 -4.505 1.00 0.00 C ATOM 382 O ILE A 29 -4.686 -11.961 -4.108 1.00 0.00 O ATOM 383 CB ILE A 29 -6.928 -11.690 -6.352 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.180 -11.083 -5.715 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.744 -13.132 -5.902 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.462 -11.468 -6.420 1.00 0.00 C ATOM 0 H ILE A 29 -4.334 -12.225 -6.819 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.892 -9.804 -6.195 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.053 -11.680 -7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.238 -11.399 -4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.087 -9.997 -5.714 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.630 -13.711 -6.164 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.872 -13.559 -6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.599 -13.160 -4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.309 -11.003 -5.915 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.425 -11.128 -7.455 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.578 -12.552 -6.399 1.00 0.00 H new ATOM 398 N PHE A 30 -5.915 -10.123 -3.689 1.00 0.00 N ATOM 399 CA PHE A 30 -5.703 -10.176 -2.248 1.00 0.00 C ATOM 400 C PHE A 30 -6.869 -9.532 -1.503 1.00 0.00 C ATOM 401 O PHE A 30 -7.479 -8.579 -1.988 1.00 0.00 O ATOM 402 CB PHE A 30 -4.395 -9.475 -1.877 1.00 0.00 C ATOM 403 CG PHE A 30 -3.188 -10.063 -2.547 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.677 -11.285 -2.137 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.562 -9.396 -3.588 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.566 -11.830 -2.752 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.451 -9.937 -4.207 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.951 -11.155 -3.788 1.00 0.00 C ATOM 0 H PHE A 30 -6.496 -9.345 -4.002 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.641 -11.224 -1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.470 -8.420 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.260 -9.523 -0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.153 -11.817 -1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.947 -8.443 -3.919 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.179 -12.783 -2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.974 -9.408 -5.018 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.082 -11.578 -4.269 1.00 0.00 H new ATOM 418 N CYS A 31 -7.172 -10.059 -0.322 1.00 0.00 N ATOM 419 CA CYS A 31 -8.264 -9.538 0.491 1.00 0.00 C ATOM 420 C CYS A 31 -7.949 -8.130 0.988 1.00 0.00 C ATOM 421 O CYS A 31 -6.919 -7.900 1.623 1.00 0.00 O ATOM 422 CB CYS A 31 -8.530 -10.463 1.681 1.00 0.00 C ATOM 423 SG CYS A 31 -7.280 -10.351 3.002 1.00 0.00 S ATOM 0 H CYS A 31 -6.676 -10.847 0.094 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.157 -9.493 -0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.508 -10.227 2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.576 -11.492 1.325 1.00 0.00 H new ATOM 428 N THR A 32 -8.842 -7.191 0.695 1.00 0.00 N ATOM 429 CA THR A 32 -8.660 -5.805 1.109 1.00 0.00 C ATOM 430 C THR A 32 -7.918 -5.723 2.438 1.00 0.00 C ATOM 431 O THR A 32 -6.958 -4.966 2.579 1.00 0.00 O ATOM 432 CB THR A 32 -10.010 -5.077 1.242 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.765 -5.219 0.035 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.800 -3.600 1.544 1.00 0.00 C ATOM 0 H THR A 32 -9.700 -7.365 0.172 1.00 0.00 H new ATOM 0 HA THR A 32 -8.068 -5.318 0.334 1.00 0.00 H new ATOM 0 HB THR A 32 -10.560 -5.527 2.068 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.623 -4.754 0.129 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.767 -3.106 1.634 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.250 -3.494 2.479 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.232 -3.141 0.735 1.00 0.00 H new ATOM 442 N LEU A 33 -8.368 -6.508 3.411 1.00 0.00 N ATOM 443 CA LEU A 33 -7.745 -6.524 4.731 1.00 0.00 C ATOM 444 C LEU A 33 -6.224 -6.495 4.616 1.00 0.00 C ATOM 445 O LEU A 33 -5.583 -5.505 4.969 1.00 0.00 O ATOM 446 CB LEU A 33 -8.185 -7.766 5.508 1.00 0.00 C ATOM 447 CG LEU A 33 -9.542 -7.673 6.207 1.00 0.00 C ATOM 448 CD1 LEU A 33 -9.926 -9.018 6.806 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.517 -6.597 7.283 1.00 0.00 C ATOM 0 H LEU A 33 -9.161 -7.141 3.311 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.067 -5.632 5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.210 -8.611 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.426 -7.989 6.258 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.293 -7.399 5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.894 -8.933 7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.986 -9.765 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.173 -9.320 7.534 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.491 -6.546 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.755 -6.840 8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.287 -5.633 6.829 1.00 0.00 H new ATOM 461 N CYS A 34 -5.653 -7.586 4.117 1.00 0.00 N ATOM 462 CA CYS A 34 -4.208 -7.685 3.952 1.00 0.00 C ATOM 463 C CYS A 34 -3.662 -6.478 3.196 1.00 0.00 C ATOM 464 O CYS A 34 -2.928 -5.661 3.755 1.00 0.00 O ATOM 465 CB CYS A 34 -3.845 -8.973 3.209 1.00 0.00 C ATOM 466 SG CYS A 34 -4.212 -10.496 4.137 1.00 0.00 S ATOM 0 H CYS A 34 -6.169 -8.414 3.820 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.755 -7.705 4.943 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.385 -8.998 2.263 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.782 -8.954 2.969 1.00 0.00 H new ATOM 471 N LEU A 35 -4.025 -6.370 1.923 1.00 0.00 N ATOM 472 CA LEU A 35 -3.572 -5.262 1.090 1.00 0.00 C ATOM 473 C LEU A 35 -3.535 -3.961 1.886 1.00 0.00 C ATOM 474 O LEU A 35 -2.577 -3.193 1.798 1.00 0.00 O ATOM 475 CB LEU A 35 -4.489 -5.103 -0.125 1.00 0.00 C ATOM 476 CG LEU A 35 -4.038 -5.812 -1.402 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.148 -5.796 -2.442 1.00 0.00 C ATOM 478 CD2 LEU A 35 -2.777 -5.163 -1.956 1.00 0.00 C ATOM 0 H LEU A 35 -4.632 -7.036 1.445 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.561 -5.487 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.479 -5.472 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.592 -4.040 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.812 -6.850 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.809 -6.305 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.026 -6.307 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.406 -4.765 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.471 -5.681 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.977 -4.116 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.980 -5.227 -1.216 1.00 0.00 H new ATOM 490 N LYS A 36 -4.584 -3.720 2.665 1.00 0.00 N ATOM 491 CA LYS A 36 -4.671 -2.515 3.480 1.00 0.00 C ATOM 492 C LYS A 36 -3.481 -2.411 4.428 1.00 0.00 C ATOM 493 O LYS A 36 -2.746 -1.424 4.409 1.00 0.00 O ATOM 494 CB LYS A 36 -5.976 -2.510 4.281 1.00 0.00 C ATOM 495 CG LYS A 36 -6.142 -1.285 5.164 1.00 0.00 C ATOM 496 CD LYS A 36 -7.421 -1.357 5.981 1.00 0.00 C ATOM 497 CE LYS A 36 -8.637 -0.983 5.146 1.00 0.00 C ATOM 498 NZ LYS A 36 -9.787 -0.570 5.995 1.00 0.00 N ATOM 0 H LYS A 36 -5.386 -4.344 2.749 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.657 -1.654 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.817 -2.566 3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.014 -3.404 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.286 -1.199 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.154 -0.388 4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.546 -2.365 6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.346 -0.686 6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.376 -0.170 4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.928 -1.832 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.595 -0.323 5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.053 -1.354 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.518 0.256 6.566 1.00 0.00 H new ATOM 512 N GLN A 37 -3.295 -3.437 5.252 1.00 0.00 N ATOM 513 CA GLN A 37 -2.192 -3.460 6.206 1.00 0.00 C ATOM 514 C GLN A 37 -0.849 -3.457 5.484 1.00 0.00 C ATOM 515 O GLN A 37 0.141 -2.933 5.996 1.00 0.00 O ATOM 516 CB GLN A 37 -2.297 -4.691 7.108 1.00 0.00 C ATOM 517 CG GLN A 37 -3.274 -4.519 8.260 1.00 0.00 C ATOM 518 CD GLN A 37 -4.712 -4.769 7.848 1.00 0.00 C ATOM 519 OE1 GLN A 37 -5.167 -5.912 7.805 1.00 0.00 O ATOM 520 NE2 GLN A 37 -5.435 -3.698 7.545 1.00 0.00 N ATOM 0 H GLN A 37 -3.893 -4.263 5.278 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.256 -2.562 6.820 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.604 -5.547 6.507 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.311 -4.922 7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.006 -5.204 9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.185 -3.509 8.659 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.016 -2.769 7.595 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.409 -3.804 7.263 1.00 0.00 H new ATOM 529 N TYR A 38 -0.822 -4.045 4.294 1.00 0.00 N ATOM 530 CA TYR A 38 0.402 -4.112 3.502 1.00 0.00 C ATOM 531 C TYR A 38 0.828 -2.724 3.039 1.00 0.00 C ATOM 532 O TYR A 38 1.873 -2.214 3.442 1.00 0.00 O ATOM 533 CB TYR A 38 0.203 -5.028 2.294 1.00 0.00 C ATOM 534 CG TYR A 38 1.388 -5.060 1.355 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.538 -5.766 1.683 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.358 -4.381 0.144 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.625 -5.797 0.830 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.439 -4.409 -0.717 1.00 0.00 C ATOM 539 CZ TYR A 38 3.570 -5.117 -0.369 1.00 0.00 C ATOM 540 OH TYR A 38 4.649 -5.145 -1.222 1.00 0.00 O ATOM 0 H TYR A 38 -1.633 -4.482 3.856 1.00 0.00 H new ATOM 0 HA TYR A 38 1.191 -4.521 4.133 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.002 -6.040 2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.678 -4.701 1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.584 -6.300 2.621 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.475 -3.822 -0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.512 -6.350 1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.398 -3.879 -1.657 1.00 0.00 H new ATOM 0 HH TYR A 38 4.521 -4.483 -1.933 1.00 0.00 H new ATOM 550 N VAL A 39 0.008 -2.114 2.187 1.00 0.00 N ATOM 551 CA VAL A 39 0.297 -0.783 1.668 1.00 0.00 C ATOM 552 C VAL A 39 0.425 0.232 2.798 1.00 0.00 C ATOM 553 O VAL A 39 1.096 1.254 2.654 1.00 0.00 O ATOM 554 CB VAL A 39 -0.796 -0.312 0.691 1.00 0.00 C ATOM 555 CG1 VAL A 39 -1.086 -1.387 -0.346 1.00 0.00 C ATOM 556 CG2 VAL A 39 -2.061 0.064 1.448 1.00 0.00 C ATOM 0 H VAL A 39 -0.861 -2.521 1.842 1.00 0.00 H new ATOM 0 HA VAL A 39 1.246 -0.850 1.135 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.434 0.574 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.861 -1.036 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.178 -1.603 -0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.427 -2.293 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.823 0.395 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.427 -0.803 1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.840 0.870 2.148 1.00 0.00 H new ATOM 566 N GLU A 40 -0.223 -0.057 3.922 1.00 0.00 N ATOM 567 CA GLU A 40 -0.182 0.832 5.077 1.00 0.00 C ATOM 568 C GLU A 40 1.172 0.752 5.776 1.00 0.00 C ATOM 569 O GLU A 40 1.889 1.748 5.878 1.00 0.00 O ATOM 570 CB GLU A 40 -1.299 0.477 6.061 1.00 0.00 C ATOM 571 CG GLU A 40 -2.601 1.213 5.796 1.00 0.00 C ATOM 572 CD GLU A 40 -3.631 0.989 6.887 1.00 0.00 C ATOM 573 OE1 GLU A 40 -3.903 -0.186 7.212 1.00 0.00 O ATOM 574 OE2 GLU A 40 -4.163 1.987 7.415 1.00 0.00 O ATOM 0 H GLU A 40 -0.782 -0.899 4.057 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.330 1.853 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.483 -0.596 6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.964 0.702 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.399 2.280 5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.012 0.885 4.841 1.00 0.00 H new ATOM 581 N LEU A 41 1.514 -0.438 6.257 1.00 0.00 N ATOM 582 CA LEU A 41 2.781 -0.649 6.947 1.00 0.00 C ATOM 583 C LEU A 41 3.944 -0.089 6.134 1.00 0.00 C ATOM 584 O LEU A 41 4.838 0.562 6.675 1.00 0.00 O ATOM 585 CB LEU A 41 2.999 -2.139 7.212 1.00 0.00 C ATOM 586 CG LEU A 41 2.439 -2.676 8.529 1.00 0.00 C ATOM 587 CD1 LEU A 41 3.175 -2.065 9.711 1.00 0.00 C ATOM 588 CD2 LEU A 41 0.945 -2.398 8.626 1.00 0.00 C ATOM 0 H LEU A 41 0.931 -1.272 6.182 1.00 0.00 H new ATOM 0 HA LEU A 41 2.740 -0.120 7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.551 -2.702 6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.070 -2.339 7.188 1.00 0.00 H new ATOM 0 HG LEU A 41 2.590 -3.755 8.553 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.762 -2.459 10.640 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.234 -2.316 9.649 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.057 -0.982 9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.563 -2.787 9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.771 -1.323 8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.430 -2.885 7.798 1.00 0.00 H new ATOM 600 N LEU A 42 3.925 -0.346 4.830 1.00 0.00 N ATOM 601 CA LEU A 42 4.977 0.134 3.940 1.00 0.00 C ATOM 602 C LEU A 42 5.081 1.655 3.991 1.00 0.00 C ATOM 603 O LEU A 42 6.119 2.203 4.361 1.00 0.00 O ATOM 604 CB LEU A 42 4.706 -0.324 2.506 1.00 0.00 C ATOM 605 CG LEU A 42 5.282 -1.685 2.115 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.761 -2.113 0.752 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.803 -1.639 2.116 1.00 0.00 C ATOM 0 H LEU A 42 3.193 -0.884 4.366 1.00 0.00 H new ATOM 0 HA LEU A 42 5.925 -0.287 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.627 -0.351 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.106 0.427 1.825 1.00 0.00 H new ATOM 0 HG LEU A 42 4.959 -2.421 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.182 -3.084 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.674 -2.185 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.054 -1.377 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.197 -2.616 1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.145 -0.891 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.158 -1.377 3.113 1.00 0.00 H new ATOM 619 N ILE A 43 3.999 2.329 3.618 1.00 0.00 N ATOM 620 CA ILE A 43 3.969 3.787 3.624 1.00 0.00 C ATOM 621 C ILE A 43 4.415 4.340 4.973 1.00 0.00 C ATOM 622 O ILE A 43 5.187 5.298 5.039 1.00 0.00 O ATOM 623 CB ILE A 43 2.560 4.321 3.304 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.149 3.919 1.885 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.519 5.834 3.464 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.652 3.912 1.669 1.00 0.00 C ATOM 0 H ILE A 43 3.132 1.890 3.308 1.00 0.00 H new ATOM 0 HA ILE A 43 4.661 4.121 2.850 1.00 0.00 H new ATOM 0 HB ILE A 43 1.852 3.881 4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.607 4.607 1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.544 2.926 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.517 6.197 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.775 6.098 4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.236 6.292 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.434 3.618 0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.189 3.203 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.253 4.909 1.853 1.00 0.00 H new ATOM 638 N LYS A 44 3.927 3.730 6.048 1.00 0.00 N ATOM 639 CA LYS A 44 4.277 4.158 7.396 1.00 0.00 C ATOM 640 C LYS A 44 5.791 4.171 7.588 1.00 0.00 C ATOM 641 O LYS A 44 6.339 5.078 8.212 1.00 0.00 O ATOM 642 CB LYS A 44 3.630 3.236 8.431 1.00 0.00 C ATOM 643 CG LYS A 44 2.155 3.516 8.656 1.00 0.00 C ATOM 644 CD LYS A 44 1.481 2.385 9.416 1.00 0.00 C ATOM 645 CE LYS A 44 0.109 2.795 9.926 1.00 0.00 C ATOM 646 NZ LYS A 44 0.175 3.373 11.298 1.00 0.00 N ATOM 0 H LYS A 44 3.287 2.937 6.011 1.00 0.00 H new ATOM 0 HA LYS A 44 3.902 5.172 7.536 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.750 2.202 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.159 3.339 9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.041 4.447 9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.660 3.656 7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.383 1.516 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.108 2.086 10.256 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.328 3.526 9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.551 1.928 9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.781 3.640 11.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.568 2.668 11.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.784 4.216 11.291 1.00 0.00 H new ATOM 660 N GLU A 45 6.460 3.158 7.044 1.00 0.00 N ATOM 661 CA GLU A 45 7.910 3.054 7.155 1.00 0.00 C ATOM 662 C GLU A 45 8.588 4.312 6.619 1.00 0.00 C ATOM 663 O GLU A 45 9.168 5.089 7.377 1.00 0.00 O ATOM 664 CB GLU A 45 8.416 1.826 6.397 1.00 0.00 C ATOM 665 CG GLU A 45 9.877 1.505 6.662 1.00 0.00 C ATOM 666 CD GLU A 45 10.165 1.271 8.132 1.00 0.00 C ATOM 667 OE1 GLU A 45 10.227 2.261 8.891 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.327 0.097 8.525 1.00 0.00 O ATOM 0 H GLU A 45 6.021 2.399 6.523 1.00 0.00 H new ATOM 0 HA GLU A 45 8.161 2.948 8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.808 0.964 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.276 1.987 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.159 0.618 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.497 2.325 6.300 1.00 0.00 H new ATOM 675 N GLY A 46 8.511 4.505 5.306 1.00 0.00 N ATOM 676 CA GLY A 46 9.122 5.668 4.689 1.00 0.00 C ATOM 677 C GLY A 46 10.279 5.303 3.781 1.00 0.00 C ATOM 678 O GLY A 46 10.507 5.955 2.761 1.00 0.00 O ATOM 0 H GLY A 46 8.036 3.876 4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.369 6.208 4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.475 6.345 5.467 1.00 0.00 H new ATOM 682 N LEU A 47 11.013 4.259 4.151 1.00 0.00 N ATOM 683 CA LEU A 47 12.154 3.808 3.362 1.00 0.00 C ATOM 684 C LEU A 47 11.749 3.554 1.914 1.00 0.00 C ATOM 685 O LEU A 47 12.219 4.231 1.000 1.00 0.00 O ATOM 686 CB LEU A 47 12.748 2.537 3.969 1.00 0.00 C ATOM 687 CG LEU A 47 14.039 2.026 3.328 1.00 0.00 C ATOM 688 CD1 LEU A 47 14.909 1.328 4.362 1.00 0.00 C ATOM 689 CD2 LEU A 47 13.725 1.087 2.172 1.00 0.00 C ATOM 0 H LEU A 47 10.838 3.709 4.992 1.00 0.00 H new ATOM 0 HA LEU A 47 12.908 4.595 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.938 2.718 5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.000 1.747 3.911 1.00 0.00 H new ATOM 0 HG LEU A 47 14.590 2.881 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.823 0.971 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.163 2.029 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.365 0.483 4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.655 0.733 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.152 0.236 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.143 1.619 1.419 1.00 0.00 H new ATOM 701 N GLU A 48 10.873 2.573 1.714 1.00 0.00 N ATOM 702 CA GLU A 48 10.404 2.231 0.376 1.00 0.00 C ATOM 703 C GLU A 48 9.129 2.995 0.034 1.00 0.00 C ATOM 704 O GLU A 48 8.138 2.932 0.763 1.00 0.00 O ATOM 705 CB GLU A 48 10.153 0.725 0.270 1.00 0.00 C ATOM 706 CG GLU A 48 10.290 0.184 -1.143 1.00 0.00 C ATOM 707 CD GLU A 48 9.861 -1.266 -1.257 1.00 0.00 C ATOM 708 OE1 GLU A 48 10.234 -2.064 -0.371 1.00 0.00 O ATOM 709 OE2 GLU A 48 9.154 -1.603 -2.229 1.00 0.00 O ATOM 0 H GLU A 48 10.475 2.003 2.460 1.00 0.00 H new ATOM 0 HA GLU A 48 11.179 2.515 -0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.854 0.202 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.151 0.505 0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.689 0.791 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.327 0.279 -1.465 1.00 0.00 H new ATOM 716 N THR A 49 9.161 3.721 -1.080 1.00 0.00 N ATOM 717 CA THR A 49 8.010 4.500 -1.519 1.00 0.00 C ATOM 718 C THR A 49 7.114 3.683 -2.442 1.00 0.00 C ATOM 719 O THR A 49 5.895 3.860 -2.456 1.00 0.00 O ATOM 720 CB THR A 49 8.446 5.784 -2.248 1.00 0.00 C ATOM 721 OG1 THR A 49 7.301 6.454 -2.787 1.00 0.00 O ATOM 722 CG2 THR A 49 9.427 5.465 -3.366 1.00 0.00 C ATOM 0 H THR A 49 9.972 3.785 -1.695 1.00 0.00 H new ATOM 0 HA THR A 49 7.452 4.772 -0.623 1.00 0.00 H new ATOM 0 HB THR A 49 8.941 6.435 -1.527 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.559 6.944 -3.596 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.721 6.388 -3.867 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.310 4.982 -2.948 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.954 4.797 -4.085 1.00 0.00 H new ATOM 730 N ALA A 50 7.724 2.789 -3.213 1.00 0.00 N ATOM 731 CA ALA A 50 6.980 1.943 -4.138 1.00 0.00 C ATOM 732 C ALA A 50 6.311 0.784 -3.407 1.00 0.00 C ATOM 733 O ALA A 50 6.930 0.129 -2.567 1.00 0.00 O ATOM 734 CB ALA A 50 7.900 1.420 -5.231 1.00 0.00 C ATOM 0 H ALA A 50 8.732 2.632 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 50 6.198 2.549 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.331 0.790 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.326 2.259 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.703 0.836 -4.782 1.00 0.00 H new ATOM 740 N ILE A 51 5.046 0.538 -3.729 1.00 0.00 N ATOM 741 CA ILE A 51 4.295 -0.542 -3.102 1.00 0.00 C ATOM 742 C ILE A 51 4.305 -1.796 -3.970 1.00 0.00 C ATOM 743 O ILE A 51 3.350 -2.068 -4.698 1.00 0.00 O ATOM 744 CB ILE A 51 2.835 -0.130 -2.832 1.00 0.00 C ATOM 745 CG1 ILE A 51 2.790 1.194 -2.067 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.112 -1.221 -2.057 1.00 0.00 C ATOM 747 CD1 ILE A 51 3.610 1.187 -0.796 1.00 0.00 C ATOM 0 H ILE A 51 4.520 1.072 -4.420 1.00 0.00 H new ATOM 0 HA ILE A 51 4.785 -0.757 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 51 2.328 0.006 -3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.149 1.992 -2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.754 1.426 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.082 -0.915 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.119 -2.144 -2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.616 -1.386 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.531 2.158 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.237 0.412 -0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.654 0.986 -1.038 1.00 0.00 H new ATOM 759 N SER A 52 5.393 -2.556 -3.887 1.00 0.00 N ATOM 760 CA SER A 52 5.529 -3.782 -4.667 1.00 0.00 C ATOM 761 C SER A 52 4.440 -4.784 -4.299 1.00 0.00 C ATOM 762 O SER A 52 3.633 -4.541 -3.401 1.00 0.00 O ATOM 763 CB SER A 52 6.908 -4.403 -4.443 1.00 0.00 C ATOM 764 OG SER A 52 7.175 -5.411 -5.402 1.00 0.00 O ATOM 0 H SER A 52 6.192 -2.345 -3.289 1.00 0.00 H new ATOM 0 HA SER A 52 5.421 -3.527 -5.721 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.673 -3.629 -4.502 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.961 -4.827 -3.440 1.00 0.00 H new ATOM 0 HG SER A 52 8.063 -5.791 -5.238 1.00 0.00 H new ATOM 770 N CYS A 53 4.424 -5.913 -4.998 1.00 0.00 N ATOM 771 CA CYS A 53 3.435 -6.955 -4.746 1.00 0.00 C ATOM 772 C CYS A 53 3.588 -7.522 -3.338 1.00 0.00 C ATOM 773 O CYS A 53 4.692 -7.813 -2.876 1.00 0.00 O ATOM 774 CB CYS A 53 3.573 -8.078 -5.777 1.00 0.00 C ATOM 775 SG CYS A 53 2.358 -9.421 -5.580 1.00 0.00 S ATOM 0 H CYS A 53 5.085 -6.131 -5.744 1.00 0.00 H new ATOM 0 HA CYS A 53 2.444 -6.509 -4.833 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.471 -7.654 -6.776 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.577 -8.498 -5.709 1.00 0.00 H new ATOM 780 N PRO A 54 2.455 -7.683 -2.638 1.00 0.00 N ATOM 781 CA PRO A 54 2.437 -8.217 -1.273 1.00 0.00 C ATOM 782 C PRO A 54 2.792 -9.698 -1.224 1.00 0.00 C ATOM 783 O PRO A 54 2.773 -10.316 -0.160 1.00 0.00 O ATOM 784 CB PRO A 54 0.989 -7.998 -0.827 1.00 0.00 C ATOM 785 CG PRO A 54 0.203 -7.971 -2.092 1.00 0.00 C ATOM 786 CD PRO A 54 1.105 -7.356 -3.127 1.00 0.00 C ATOM 0 HA PRO A 54 3.173 -7.729 -0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.652 -8.799 -0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.882 -7.065 -0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.099 -8.976 -2.385 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.709 -7.386 -1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.924 -7.774 -4.117 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.955 -6.279 -3.203 1.00 0.00 H new ATOM 794 N ASP A 55 3.115 -10.262 -2.383 1.00 0.00 N ATOM 795 CA ASP A 55 3.477 -11.673 -2.472 1.00 0.00 C ATOM 796 C ASP A 55 4.879 -11.838 -3.047 1.00 0.00 C ATOM 797 O ASP A 55 5.098 -11.648 -4.243 1.00 0.00 O ATOM 798 CB ASP A 55 2.465 -12.426 -3.337 1.00 0.00 C ATOM 799 CG ASP A 55 2.497 -13.922 -3.095 1.00 0.00 C ATOM 800 OD1 ASP A 55 2.825 -14.333 -1.962 1.00 0.00 O ATOM 801 OD2 ASP A 55 2.193 -14.682 -4.038 1.00 0.00 O ATOM 0 H ASP A 55 3.134 -9.765 -3.273 1.00 0.00 H new ATOM 0 HA ASP A 55 3.465 -12.091 -1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.463 -12.049 -3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.671 -12.226 -4.389 1.00 0.00 H new ATOM 806 N ALA A 56 5.828 -12.192 -2.186 1.00 0.00 N ATOM 807 CA ALA A 56 7.210 -12.384 -2.607 1.00 0.00 C ATOM 808 C ALA A 56 7.315 -13.483 -3.659 1.00 0.00 C ATOM 809 O ALA A 56 8.086 -13.371 -4.613 1.00 0.00 O ATOM 810 CB ALA A 56 8.087 -12.713 -1.408 1.00 0.00 C ATOM 0 H ALA A 56 5.664 -12.352 -1.192 1.00 0.00 H new ATOM 0 HA ALA A 56 7.560 -11.454 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.116 -12.854 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.045 -11.894 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.729 -13.628 -0.936 1.00 0.00 H new ATOM 816 N ALA A 57 6.535 -14.544 -3.481 1.00 0.00 N ATOM 817 CA ALA A 57 6.540 -15.662 -4.415 1.00 0.00 C ATOM 818 C ALA A 57 6.283 -15.187 -5.841 1.00 0.00 C ATOM 819 O ALA A 57 6.838 -15.730 -6.797 1.00 0.00 O ATOM 820 CB ALA A 57 5.501 -16.697 -4.006 1.00 0.00 C ATOM 0 H ALA A 57 5.891 -14.652 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 57 7.527 -16.123 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.516 -17.527 -4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.730 -17.067 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.512 -16.239 -4.005 1.00 0.00 H new ATOM 826 N CYS A 58 5.439 -14.170 -5.978 1.00 0.00 N ATOM 827 CA CYS A 58 5.107 -13.622 -7.288 1.00 0.00 C ATOM 828 C CYS A 58 6.360 -13.466 -8.145 1.00 0.00 C ATOM 829 O CYS A 58 7.278 -12.715 -7.816 1.00 0.00 O ATOM 830 CB CYS A 58 4.408 -12.268 -7.135 1.00 0.00 C ATOM 831 SG CYS A 58 3.565 -11.693 -8.643 1.00 0.00 S ATOM 0 H CYS A 58 4.972 -13.708 -5.197 1.00 0.00 H new ATOM 0 HA CYS A 58 4.432 -14.318 -7.786 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.679 -12.337 -6.328 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.145 -11.522 -6.837 1.00 0.00 H new ATOM 836 N PRO A 59 6.399 -14.191 -9.273 1.00 0.00 N ATOM 837 CA PRO A 59 7.533 -14.150 -10.201 1.00 0.00 C ATOM 838 C PRO A 59 7.630 -12.819 -10.938 1.00 0.00 C ATOM 839 O PRO A 59 8.683 -12.469 -11.472 1.00 0.00 O ATOM 840 CB PRO A 59 7.228 -15.284 -11.183 1.00 0.00 C ATOM 841 CG PRO A 59 5.746 -15.437 -11.137 1.00 0.00 C ATOM 842 CD PRO A 59 5.339 -15.107 -9.728 1.00 0.00 C ATOM 0 HA PRO A 59 8.487 -14.259 -9.685 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.570 -15.039 -12.189 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.730 -16.206 -10.891 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.262 -14.769 -11.849 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.450 -16.452 -11.401 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.357 -14.635 -9.693 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.285 -16.000 -9.106 1.00 0.00 H new ATOM 850 N LYS A 60 6.526 -12.079 -10.963 1.00 0.00 N ATOM 851 CA LYS A 60 6.487 -10.786 -11.634 1.00 0.00 C ATOM 852 C LYS A 60 6.751 -9.653 -10.646 1.00 0.00 C ATOM 853 O LYS A 60 7.394 -8.660 -10.985 1.00 0.00 O ATOM 854 CB LYS A 60 5.131 -10.580 -12.311 1.00 0.00 C ATOM 855 CG LYS A 60 5.021 -9.266 -13.067 1.00 0.00 C ATOM 856 CD LYS A 60 3.832 -9.266 -14.014 1.00 0.00 C ATOM 857 CE LYS A 60 4.083 -10.153 -15.224 1.00 0.00 C ATOM 858 NZ LYS A 60 3.188 -9.804 -16.362 1.00 0.00 N ATOM 0 H LYS A 60 5.646 -12.354 -10.526 1.00 0.00 H new ATOM 0 HA LYS A 60 7.270 -10.774 -12.392 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.951 -11.403 -13.002 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.347 -10.621 -11.555 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.923 -8.444 -12.358 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.937 -9.092 -13.631 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.944 -9.613 -13.485 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.629 -8.247 -14.344 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.123 -10.056 -15.536 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.930 -11.196 -14.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.390 -10.431 -17.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.196 -9.921 -16.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.352 -8.816 -16.643 1.00 0.00 H new ATOM 872 N GLN A 61 6.252 -9.811 -9.425 1.00 0.00 N ATOM 873 CA GLN A 61 6.435 -8.801 -8.389 1.00 0.00 C ATOM 874 C GLN A 61 5.933 -7.441 -8.859 1.00 0.00 C ATOM 875 O GLN A 61 6.615 -6.429 -8.707 1.00 0.00 O ATOM 876 CB GLN A 61 7.910 -8.706 -7.996 1.00 0.00 C ATOM 877 CG GLN A 61 8.485 -10.009 -7.466 1.00 0.00 C ATOM 878 CD GLN A 61 9.762 -9.806 -6.674 1.00 0.00 C ATOM 879 OE1 GLN A 61 10.327 -8.712 -6.657 1.00 0.00 O ATOM 880 NE2 GLN A 61 10.223 -10.861 -6.012 1.00 0.00 N ATOM 0 H GLN A 61 5.718 -10.628 -9.128 1.00 0.00 H new ATOM 0 HA GLN A 61 5.852 -9.101 -7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.489 -8.390 -8.864 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.026 -7.932 -7.237 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.744 -10.498 -6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.683 -10.680 -8.302 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.722 -11.749 -6.054 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.078 -10.784 -5.461 1.00 0.00 H new ATOM 889 N GLY A 62 4.733 -7.424 -9.433 1.00 0.00 N ATOM 890 CA GLY A 62 4.160 -6.182 -9.918 1.00 0.00 C ATOM 891 C GLY A 62 3.997 -5.151 -8.820 1.00 0.00 C ATOM 892 O GLY A 62 4.204 -5.449 -7.643 1.00 0.00 O ATOM 0 H GLY A 62 4.148 -8.248 -9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.796 -5.774 -10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.188 -6.385 -10.368 1.00 0.00 H new ATOM 896 N HIS A 63 3.627 -3.934 -9.203 1.00 0.00 N ATOM 897 CA HIS A 63 3.438 -2.853 -8.242 1.00 0.00 C ATOM 898 C HIS A 63 1.958 -2.513 -8.091 1.00 0.00 C ATOM 899 O HIS A 63 1.133 -2.908 -8.915 1.00 0.00 O ATOM 900 CB HIS A 63 4.217 -1.612 -8.677 1.00 0.00 C ATOM 901 CG HIS A 63 3.832 -0.371 -7.932 1.00 0.00 C ATOM 902 ND1 HIS A 63 3.084 0.642 -8.493 1.00 0.00 N ATOM 903 CD2 HIS A 63 4.095 0.016 -6.661 1.00 0.00 C ATOM 904 CE1 HIS A 63 2.905 1.600 -7.601 1.00 0.00 C ATOM 905 NE2 HIS A 63 3.507 1.244 -6.481 1.00 0.00 N ATOM 0 H HIS A 63 3.452 -3.671 -10.173 1.00 0.00 H new ATOM 0 HA HIS A 63 3.816 -3.189 -7.276 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.282 -1.794 -8.537 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.059 -1.449 -9.743 1.00 0.00 H new ATOM 0 HD1 HIS A 63 2.725 0.651 -9.448 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.661 -0.538 -5.927 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.359 2.518 -7.761 1.00 0.00 H new ATOM 913 N LEU A 64 1.630 -1.779 -7.034 1.00 0.00 N ATOM 914 CA LEU A 64 0.249 -1.385 -6.774 1.00 0.00 C ATOM 915 C LEU A 64 -0.025 0.019 -7.303 1.00 0.00 C ATOM 916 O LEU A 64 0.554 0.995 -6.828 1.00 0.00 O ATOM 917 CB LEU A 64 -0.045 -1.444 -5.275 1.00 0.00 C ATOM 918 CG LEU A 64 -0.605 -2.768 -4.753 1.00 0.00 C ATOM 919 CD1 LEU A 64 -1.910 -3.109 -5.453 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.411 -3.886 -4.938 1.00 0.00 C ATOM 0 H LEU A 64 2.301 -1.444 -6.343 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.407 -2.084 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.876 -1.224 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.753 -0.652 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.807 -2.660 -3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.293 -4.054 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.639 -2.320 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.735 -3.198 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.004 -4.821 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.645 -3.994 -5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.321 -3.645 -4.388 1.00 0.00 H new ATOM 932 N GLN A 65 -0.914 0.112 -8.288 1.00 0.00 N ATOM 933 CA GLN A 65 -1.266 1.397 -8.880 1.00 0.00 C ATOM 934 C GLN A 65 -1.725 2.382 -7.809 1.00 0.00 C ATOM 935 O GLN A 65 -2.316 1.989 -6.803 1.00 0.00 O ATOM 936 CB GLN A 65 -2.365 1.216 -9.927 1.00 0.00 C ATOM 937 CG GLN A 65 -2.030 0.179 -10.988 1.00 0.00 C ATOM 938 CD GLN A 65 -1.191 0.749 -12.115 1.00 0.00 C ATOM 939 OE1 GLN A 65 -0.650 1.849 -12.006 1.00 0.00 O ATOM 940 NE2 GLN A 65 -1.078 0.000 -13.205 1.00 0.00 N ATOM 0 H GLN A 65 -1.403 -0.687 -8.692 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.377 1.802 -9.363 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.288 0.926 -9.426 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.553 2.173 -10.413 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.495 -0.650 -10.525 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.954 -0.228 -11.398 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.544 -0.906 -13.252 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.525 0.331 -13.996 1.00 0.00 H new ATOM 949 N GLU A 66 -1.449 3.663 -8.032 1.00 0.00 N ATOM 950 CA GLU A 66 -1.833 4.703 -7.086 1.00 0.00 C ATOM 951 C GLU A 66 -3.321 4.618 -6.758 1.00 0.00 C ATOM 952 O GLU A 66 -3.708 4.537 -5.593 1.00 0.00 O ATOM 953 CB GLU A 66 -1.501 6.085 -7.651 1.00 0.00 C ATOM 954 CG GLU A 66 -1.956 7.231 -6.761 1.00 0.00 C ATOM 955 CD GLU A 66 -3.397 7.628 -7.012 1.00 0.00 C ATOM 956 OE1 GLU A 66 -3.850 7.522 -8.171 1.00 0.00 O ATOM 957 OE2 GLU A 66 -4.074 8.046 -6.049 1.00 0.00 O ATOM 0 H GLU A 66 -0.961 4.005 -8.860 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.267 4.549 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.424 6.158 -7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.967 6.190 -8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.839 6.943 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.311 8.094 -6.928 1.00 0.00 H new ATOM 964 N ASN A 67 -4.151 4.638 -7.795 1.00 0.00 N ATOM 965 CA ASN A 67 -5.597 4.565 -7.619 1.00 0.00 C ATOM 966 C ASN A 67 -5.962 3.554 -6.537 1.00 0.00 C ATOM 967 O ASN A 67 -6.793 3.830 -5.672 1.00 0.00 O ATOM 968 CB ASN A 67 -6.273 4.184 -8.938 1.00 0.00 C ATOM 969 CG ASN A 67 -5.450 3.202 -9.747 1.00 0.00 C ATOM 970 OD1 ASN A 67 -4.557 3.594 -10.498 1.00 0.00 O ATOM 971 ND2 ASN A 67 -5.750 1.916 -9.599 1.00 0.00 N ATOM 0 H ASN A 67 -3.847 4.704 -8.767 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.951 5.548 -7.308 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.251 3.749 -8.730 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.444 5.084 -9.529 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.232 1.208 -10.119 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.499 1.637 -8.965 1.00 0.00 H new ATOM 978 N GLU A 68 -5.336 2.383 -6.593 1.00 0.00 N ATOM 979 CA GLU A 68 -5.595 1.331 -5.617 1.00 0.00 C ATOM 980 C GLU A 68 -5.372 1.841 -4.196 1.00 0.00 C ATOM 981 O GLU A 68 -6.272 1.785 -3.357 1.00 0.00 O ATOM 982 CB GLU A 68 -4.696 0.123 -5.885 1.00 0.00 C ATOM 983 CG GLU A 68 -4.897 -0.493 -7.259 1.00 0.00 C ATOM 984 CD GLU A 68 -6.325 -0.946 -7.492 1.00 0.00 C ATOM 985 OE1 GLU A 68 -6.972 -1.394 -6.522 1.00 0.00 O ATOM 986 OE2 GLU A 68 -6.796 -0.852 -8.645 1.00 0.00 O ATOM 0 H GLU A 68 -4.646 2.139 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.637 1.027 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.654 0.426 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.885 -0.635 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.621 0.234 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.226 -1.345 -7.373 1.00 0.00 H new ATOM 993 N ILE A 69 -4.167 2.334 -3.933 1.00 0.00 N ATOM 994 CA ILE A 69 -3.826 2.854 -2.615 1.00 0.00 C ATOM 995 C ILE A 69 -4.765 3.984 -2.208 1.00 0.00 C ATOM 996 O ILE A 69 -5.287 3.999 -1.094 1.00 0.00 O ATOM 997 CB ILE A 69 -2.374 3.367 -2.571 1.00 0.00 C ATOM 998 CG1 ILE A 69 -1.405 2.261 -2.994 1.00 0.00 C ATOM 999 CG2 ILE A 69 -2.033 3.873 -1.177 1.00 0.00 C ATOM 1000 CD1 ILE A 69 -0.079 2.781 -3.500 1.00 0.00 C ATOM 0 H ILE A 69 -3.410 2.384 -4.615 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.933 2.027 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.276 4.196 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.227 1.601 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.871 1.659 -3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.004 4.232 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.706 4.688 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.145 3.061 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.557 1.942 -3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.246 3.418 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.409 3.359 -2.715 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.978 4.927 -3.121 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.856 6.061 -2.857 1.00 0.00 C ATOM 1014 C GLU A 70 -7.026 5.647 -1.970 1.00 0.00 C ATOM 1015 O GLU A 70 -7.223 6.197 -0.886 1.00 0.00 O ATOM 1016 CB GLU A 70 -6.379 6.645 -4.171 1.00 0.00 C ATOM 1017 CG GLU A 70 -7.433 7.724 -3.980 1.00 0.00 C ATOM 1018 CD GLU A 70 -8.241 7.978 -5.237 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -7.651 7.950 -6.337 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -9.463 8.206 -5.121 1.00 0.00 O ATOM 0 H GLU A 70 -4.555 4.928 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.278 6.823 -2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.543 7.061 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.799 5.841 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.105 7.431 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.948 8.650 -3.671 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.801 4.674 -2.438 1.00 0.00 N ATOM 1028 CA CYS A 71 -8.954 4.187 -1.690 1.00 0.00 C ATOM 1029 C CYS A 71 -8.522 3.210 -0.601 1.00 0.00 C ATOM 1030 O CYS A 71 -8.964 3.303 0.543 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.952 3.512 -2.630 1.00 0.00 C ATOM 1032 SG CYS A 71 -10.783 4.650 -3.764 1.00 0.00 S ATOM 0 H CYS A 71 -7.651 4.207 -3.332 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.435 5.043 -1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.430 2.752 -3.212 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.705 2.996 -2.034 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.606 3.986 -4.520 1.00 0.00 H new ATOM 1038 N MET A 72 -7.654 2.271 -0.966 1.00 0.00 N ATOM 1039 CA MET A 72 -7.162 1.275 -0.021 1.00 0.00 C ATOM 1040 C MET A 72 -6.915 1.901 1.348 1.00 0.00 C ATOM 1041 O MET A 72 -7.352 1.372 2.370 1.00 0.00 O ATOM 1042 CB MET A 72 -5.872 0.639 -0.543 1.00 0.00 C ATOM 1043 CG MET A 72 -5.540 -0.689 0.118 1.00 0.00 C ATOM 1044 SD MET A 72 -6.272 -2.095 -0.741 1.00 0.00 S ATOM 1045 CE MET A 72 -5.181 -2.235 -2.155 1.00 0.00 C ATOM 0 H MET A 72 -7.277 2.179 -1.909 1.00 0.00 H new ATOM 0 HA MET A 72 -7.924 0.502 0.084 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.960 0.488 -1.619 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.045 1.331 -0.385 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.458 -0.813 0.152 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.892 -0.675 1.149 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.686 -2.782 -2.951 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.916 -1.239 -2.510 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.276 -2.769 -1.865 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.213 3.030 1.360 1.00 0.00 N ATOM 1056 CA VAL A 73 -5.911 3.729 2.604 1.00 0.00 C ATOM 1057 C VAL A 73 -6.692 5.033 2.707 1.00 0.00 C ATOM 1058 O VAL A 73 -7.206 5.541 1.711 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.405 4.032 2.723 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.586 2.768 2.516 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -4.000 5.110 1.729 1.00 0.00 C ATOM 0 H VAL A 73 -5.843 3.480 0.523 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.208 3.069 3.419 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.205 4.403 3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.525 3.003 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.858 2.031 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.787 2.363 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.933 5.312 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.214 4.770 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.562 6.022 1.932 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.776 5.572 3.918 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.493 6.820 4.151 1.00 0.00 C ATOM 1073 C ALA A 74 -6.602 8.026 3.869 1.00 0.00 C ATOM 1074 O ALA A 74 -5.418 7.877 3.570 1.00 0.00 O ATOM 1075 CB ALA A 74 -8.016 6.869 5.579 1.00 0.00 C ATOM 0 H ALA A 74 -6.356 5.164 4.754 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.339 6.858 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.549 7.806 5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.694 6.032 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.180 6.804 6.275 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.181 9.218 3.967 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.438 10.449 3.723 1.00 0.00 C ATOM 1083 C ALA A 75 -5.230 10.552 4.648 1.00 0.00 C ATOM 1084 O ALA A 75 -4.100 10.713 4.188 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.346 11.657 3.901 1.00 0.00 C ATOM 0 H ALA A 75 -8.161 9.358 4.213 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.076 10.429 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.779 12.569 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.175 11.596 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.736 11.672 4.919 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.477 10.459 5.951 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.407 10.545 6.938 1.00 0.00 C ATOM 1093 C GLU A 76 -3.183 9.755 6.484 1.00 0.00 C ATOM 1094 O GLU A 76 -2.046 10.180 6.688 1.00 0.00 O ATOM 1095 CB GLU A 76 -4.891 10.024 8.292 1.00 0.00 C ATOM 1096 CG GLU A 76 -5.632 8.700 8.206 1.00 0.00 C ATOM 1097 CD GLU A 76 -6.039 8.170 9.567 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -5.243 8.303 10.519 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -7.156 7.621 9.679 1.00 0.00 O ATOM 0 H GLU A 76 -6.407 10.324 6.347 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.124 11.593 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.033 9.908 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.546 10.768 8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.521 8.825 7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.999 7.965 7.709 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.425 8.603 5.869 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.343 7.753 5.386 1.00 0.00 C ATOM 1108 C ILE A 77 -1.840 8.224 4.026 1.00 0.00 C ATOM 1109 O ILE A 77 -0.674 8.590 3.877 1.00 0.00 O ATOM 1110 CB ILE A 77 -2.789 6.283 5.274 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.144 5.729 6.656 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -1.696 5.446 4.627 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -1.948 5.568 7.567 1.00 0.00 C ATOM 0 H ILE A 77 -4.360 8.236 5.693 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.536 7.825 6.115 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.677 6.235 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.865 6.394 7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.632 4.762 6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.026 4.410 4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.486 5.830 3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.792 5.497 5.233 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.274 5.171 8.529 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.235 4.880 7.113 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.472 6.537 7.717 1.00 0.00 H new ATOM 1125 N MET A 78 -2.727 8.215 3.036 1.00 0.00 N ATOM 1126 CA MET A 78 -2.373 8.645 1.689 1.00 0.00 C ATOM 1127 C MET A 78 -1.370 9.793 1.730 1.00 0.00 C ATOM 1128 O MET A 78 -0.335 9.749 1.064 1.00 0.00 O ATOM 1129 CB MET A 78 -3.624 9.075 0.922 1.00 0.00 C ATOM 1130 CG MET A 78 -3.423 9.142 -0.583 1.00 0.00 C ATOM 1131 SD MET A 78 -3.009 7.540 -1.301 1.00 0.00 S ATOM 1132 CE MET A 78 -2.742 7.995 -3.012 1.00 0.00 C ATOM 0 H MET A 78 -3.696 7.915 3.142 1.00 0.00 H new ATOM 0 HA MET A 78 -1.912 7.801 1.176 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.432 8.377 1.141 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.942 10.054 1.281 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.332 9.521 -1.050 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.628 9.853 -0.808 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.394 7.401 -3.652 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.967 9.053 -3.147 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.702 7.808 -3.280 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.682 10.818 2.516 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.806 11.978 2.643 1.00 0.00 C ATOM 1144 C GLN A 79 0.654 11.549 2.737 1.00 0.00 C ATOM 1145 O GLN A 79 1.507 12.050 2.004 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.189 12.800 3.875 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.743 14.251 3.800 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.347 14.988 2.619 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -0.732 15.091 1.557 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -2.557 15.503 2.799 1.00 0.00 N ATOM 0 H GLN A 79 -2.534 10.870 3.074 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.928 12.594 1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.271 12.767 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.750 12.339 4.760 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.021 14.761 4.722 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.344 14.290 3.730 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.030 15.393 3.696 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.014 16.008 2.040 1.00 0.00 H new ATOM 1159 N ARG A 80 0.936 10.620 3.645 1.00 0.00 N ATOM 1160 CA ARG A 80 2.294 10.125 3.836 1.00 0.00 C ATOM 1161 C ARG A 80 2.873 9.605 2.523 1.00 0.00 C ATOM 1162 O ARG A 80 3.988 9.959 2.140 1.00 0.00 O ATOM 1163 CB ARG A 80 2.312 9.017 4.889 1.00 0.00 C ATOM 1164 CG ARG A 80 1.810 9.462 6.252 1.00 0.00 C ATOM 1165 CD ARG A 80 1.953 8.359 7.288 1.00 0.00 C ATOM 1166 NE ARG A 80 3.328 8.231 7.765 1.00 0.00 N ATOM 1167 CZ ARG A 80 3.845 8.989 8.724 1.00 0.00 C ATOM 1168 NH1 ARG A 80 3.107 9.923 9.307 1.00 0.00 N ATOM 1169 NH2 ARG A 80 5.104 8.812 9.105 1.00 0.00 N ATOM 0 H ARG A 80 0.242 10.195 4.260 1.00 0.00 H new ATOM 0 HA ARG A 80 2.911 10.954 4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.699 8.186 4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.330 8.642 4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.367 10.341 6.576 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.764 9.758 6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.294 8.566 8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.629 7.412 6.856 1.00 0.00 H new ATOM 0 HE ARG A 80 3.923 7.521 7.338 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.138 10.061 9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.508 10.504 10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.675 8.093 8.661 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.501 9.395 9.842 1.00 0.00 H new ATOM 1183 N TYR A 81 2.107 8.762 1.838 1.00 0.00 N ATOM 1184 CA TYR A 81 2.545 8.190 0.571 1.00 0.00 C ATOM 1185 C TYR A 81 2.967 9.284 -0.404 1.00 0.00 C ATOM 1186 O TYR A 81 4.059 9.241 -0.971 1.00 0.00 O ATOM 1187 CB TYR A 81 1.427 7.347 -0.045 1.00 0.00 C ATOM 1188 CG TYR A 81 1.764 6.801 -1.414 1.00 0.00 C ATOM 1189 CD1 TYR A 81 2.777 5.864 -1.581 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.071 7.223 -2.542 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.090 5.364 -2.829 1.00 0.00 C ATOM 1192 CE2 TYR A 81 1.376 6.726 -3.795 1.00 0.00 C ATOM 1193 CZ TYR A 81 2.386 5.797 -3.934 1.00 0.00 C ATOM 1194 OH TYR A 81 2.693 5.301 -5.180 1.00 0.00 O ATOM 0 H TYR A 81 1.180 8.460 2.139 1.00 0.00 H new ATOM 0 HA TYR A 81 3.407 7.552 0.768 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.200 6.516 0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.524 7.953 -0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.329 5.521 -0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.281 7.952 -2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 81 3.882 4.638 -2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.826 7.063 -4.661 1.00 0.00 H new ATOM 0 HH TYR A 81 2.103 5.708 -5.849 1.00 0.00 H new ATOM 1204 N LYS A 82 2.093 10.268 -0.594 1.00 0.00 N ATOM 1205 CA LYS A 82 2.373 11.377 -1.498 1.00 0.00 C ATOM 1206 C LYS A 82 3.706 12.035 -1.156 1.00 0.00 C ATOM 1207 O LYS A 82 4.485 12.383 -2.043 1.00 0.00 O ATOM 1208 CB LYS A 82 1.249 12.413 -1.432 1.00 0.00 C ATOM 1209 CG LYS A 82 -0.106 11.869 -1.853 1.00 0.00 C ATOM 1210 CD LYS A 82 -1.004 12.969 -2.393 1.00 0.00 C ATOM 1211 CE LYS A 82 -0.786 13.184 -3.884 1.00 0.00 C ATOM 1212 NZ LYS A 82 -1.157 14.564 -4.304 1.00 0.00 N ATOM 0 H LYS A 82 1.184 10.319 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 82 2.433 10.980 -2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.177 12.795 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.507 13.257 -2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.030 11.102 -2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.588 11.390 -1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.047 12.711 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.806 13.898 -1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.260 12.998 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.378 12.462 -4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.995 14.671 -5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.161 14.733 -4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.574 15.253 -3.787 1.00 0.00 H new ATOM 1226 N LYS A 83 3.964 12.202 0.137 1.00 0.00 N ATOM 1227 CA LYS A 83 5.203 12.815 0.597 1.00 0.00 C ATOM 1228 C LYS A 83 6.415 12.041 0.091 1.00 0.00 C ATOM 1229 O LYS A 83 7.383 12.629 -0.395 1.00 0.00 O ATOM 1230 CB LYS A 83 5.227 12.878 2.127 1.00 0.00 C ATOM 1231 CG LYS A 83 4.066 13.655 2.722 1.00 0.00 C ATOM 1232 CD LYS A 83 4.367 15.143 2.791 1.00 0.00 C ATOM 1233 CE LYS A 83 3.361 15.874 3.666 1.00 0.00 C ATOM 1234 NZ LYS A 83 3.783 17.276 3.941 1.00 0.00 N ATOM 0 H LYS A 83 3.330 11.921 0.885 1.00 0.00 H new ATOM 0 HA LYS A 83 5.248 13.828 0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.216 11.863 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.162 13.336 2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.172 13.491 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.851 13.280 3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.372 15.294 3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.352 15.565 1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.387 15.877 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.242 15.339 4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.072 17.741 4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.700 17.273 4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.872 17.794 3.044 1.00 0.00 H new ATOM 1248 N LEU A 84 6.356 10.718 0.204 1.00 0.00 N ATOM 1249 CA LEU A 84 7.448 9.861 -0.244 1.00 0.00 C ATOM 1250 C LEU A 84 7.649 9.980 -1.752 1.00 0.00 C ATOM 1251 O LEU A 84 8.756 10.246 -2.220 1.00 0.00 O ATOM 1252 CB LEU A 84 7.168 8.406 0.130 1.00 0.00 C ATOM 1253 CG LEU A 84 6.970 8.122 1.620 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.348 6.749 1.824 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.294 8.225 2.363 1.00 0.00 C ATOM 0 H LEU A 84 5.563 10.216 0.602 1.00 0.00 H new ATOM 0 HA LEU A 84 8.361 10.188 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.275 8.080 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.995 7.794 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 84 6.289 8.871 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.215 6.565 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.380 6.711 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.003 5.986 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.134 8.020 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.998 7.499 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.700 9.230 2.245 1.00 0.00 H new ATOM 1267 N GLN A 85 6.572 9.785 -2.505 1.00 0.00 N ATOM 1268 CA GLN A 85 6.631 9.872 -3.959 1.00 0.00 C ATOM 1269 C GLN A 85 7.455 11.078 -4.399 1.00 0.00 C ATOM 1270 O GLN A 85 8.353 10.958 -5.233 1.00 0.00 O ATOM 1271 CB GLN A 85 5.220 9.963 -4.543 1.00 0.00 C ATOM 1272 CG GLN A 85 4.516 8.619 -4.644 1.00 0.00 C ATOM 1273 CD GLN A 85 3.235 8.691 -5.452 1.00 0.00 C ATOM 1274 OE1 GLN A 85 2.239 9.263 -5.008 1.00 0.00 O ATOM 1275 NE2 GLN A 85 3.254 8.108 -6.645 1.00 0.00 N ATOM 0 H GLN A 85 5.648 9.566 -2.133 1.00 0.00 H new ATOM 0 HA GLN A 85 7.114 8.969 -4.333 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.622 10.632 -3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.274 10.411 -5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.189 7.894 -5.101 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.289 8.256 -3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.102 7.645 -6.973 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.421 8.123 -7.233 1.00 0.00 H new ATOM 1284 N PHE A 86 7.143 12.240 -3.834 1.00 0.00 N ATOM 1285 CA PHE A 86 7.853 13.468 -4.169 1.00 0.00 C ATOM 1286 C PHE A 86 9.293 13.419 -3.666 1.00 0.00 C ATOM 1287 O PHE A 86 10.234 13.643 -4.427 1.00 0.00 O ATOM 1288 CB PHE A 86 7.133 14.679 -3.571 1.00 0.00 C ATOM 1289 CG PHE A 86 7.980 15.918 -3.526 1.00 0.00 C ATOM 1290 CD1 PHE A 86 8.530 16.440 -4.686 1.00 0.00 C ATOM 1291 CD2 PHE A 86 8.226 16.562 -2.325 1.00 0.00 C ATOM 1292 CE1 PHE A 86 9.310 17.580 -4.648 1.00 0.00 C ATOM 1293 CE2 PHE A 86 9.004 17.703 -2.280 1.00 0.00 C ATOM 1294 CZ PHE A 86 9.548 18.212 -3.444 1.00 0.00 C ATOM 0 H PHE A 86 6.403 12.356 -3.142 1.00 0.00 H new ATOM 0 HA PHE A 86 7.869 13.563 -5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.236 14.883 -4.155 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.807 14.435 -2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.347 15.950 -5.631 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.805 16.168 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.733 17.976 -5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.187 18.196 -1.337 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.158 19.103 -3.412 1.00 0.00 H new ATOM 1304 N GLU A 87 9.454 13.124 -2.380 1.00 0.00 N ATOM 1305 CA GLU A 87 10.778 13.047 -1.776 1.00 0.00 C ATOM 1306 C GLU A 87 11.798 12.494 -2.768 1.00 0.00 C ATOM 1307 O GLU A 87 12.906 13.018 -2.891 1.00 0.00 O ATOM 1308 CB GLU A 87 10.741 12.168 -0.523 1.00 0.00 C ATOM 1309 CG GLU A 87 10.285 12.906 0.725 1.00 0.00 C ATOM 1310 CD GLU A 87 9.778 11.969 1.804 1.00 0.00 C ATOM 1311 OE1 GLU A 87 10.409 10.912 2.015 1.00 0.00 O ATOM 1312 OE2 GLU A 87 8.750 12.291 2.435 1.00 0.00 O ATOM 0 H GLU A 87 8.685 12.935 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 87 11.080 14.056 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.073 11.325 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.735 11.756 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.115 13.493 1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.495 13.609 0.459 1.00 0.00 H new ATOM 1319 N ARG A 88 11.416 11.434 -3.471 1.00 0.00 N ATOM 1320 CA ARG A 88 12.296 10.809 -4.450 1.00 0.00 C ATOM 1321 C ARG A 88 12.303 11.597 -5.756 1.00 0.00 C ATOM 1322 O ARG A 88 13.361 11.876 -6.320 1.00 0.00 O ATOM 1323 CB ARG A 88 11.859 9.367 -4.714 1.00 0.00 C ATOM 1324 CG ARG A 88 12.279 8.394 -3.625 1.00 0.00 C ATOM 1325 CD ARG A 88 12.522 7.001 -4.186 1.00 0.00 C ATOM 1326 NE ARG A 88 13.756 6.932 -4.964 1.00 0.00 N ATOM 1327 CZ ARG A 88 14.207 5.817 -5.527 1.00 0.00 C ATOM 1328 NH1 ARG A 88 13.531 4.685 -5.398 1.00 0.00 N ATOM 1329 NH2 ARG A 88 15.338 5.834 -6.221 1.00 0.00 N ATOM 0 H ARG A 88 10.502 10.990 -3.381 1.00 0.00 H new ATOM 0 HA ARG A 88 13.307 10.806 -4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 88 10.774 9.338 -4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.278 9.038 -5.665 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.186 8.756 -3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 88 11.506 8.349 -2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.569 6.283 -3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 88 11.680 6.712 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 88 14.301 7.786 -5.081 1.00 0.00 H new ATOM 0 HH11 ARG A 88 12.661 4.668 -4.865 1.00 0.00 H new ATOM 0 HH12 ARG A 88 13.880 3.830 -5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.861 6.704 -6.322 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.684 4.977 -6.653 1.00 0.00 H new ATOM 1343 N SER A 89 11.115 11.954 -6.233 1.00 0.00 N ATOM 1344 CA SER A 89 10.982 12.707 -7.475 1.00 0.00 C ATOM 1345 C SER A 89 12.146 13.679 -7.646 1.00 0.00 C ATOM 1346 O SER A 89 12.742 13.767 -8.719 1.00 0.00 O ATOM 1347 CB SER A 89 9.657 13.472 -7.494 1.00 0.00 C ATOM 1348 OG SER A 89 8.608 12.659 -7.990 1.00 0.00 O ATOM 0 H SER A 89 10.229 11.734 -5.778 1.00 0.00 H new ATOM 0 HA SER A 89 10.996 11.999 -8.304 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.414 13.811 -6.487 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.756 14.363 -8.115 1.00 0.00 H new ATOM 0 HG SER A 89 8.347 12.008 -7.306 1.00 0.00 H new ATOM 1354 N GLY A 90 12.463 14.408 -6.580 1.00 0.00 N ATOM 1355 CA GLY A 90 13.553 15.365 -6.633 1.00 0.00 C ATOM 1356 C GLY A 90 14.833 14.757 -7.171 1.00 0.00 C ATOM 1357 O GLY A 90 14.977 13.537 -7.257 1.00 0.00 O ATOM 0 H GLY A 90 11.984 14.353 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.263 16.207 -7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.734 15.760 -5.633 1.00 0.00 H new ATOM 1361 N PRO A 91 15.788 15.618 -7.549 1.00 0.00 N ATOM 1362 CA PRO A 91 17.079 15.181 -8.090 1.00 0.00 C ATOM 1363 C PRO A 91 17.956 14.518 -7.033 1.00 0.00 C ATOM 1364 O PRO A 91 18.527 13.453 -7.267 1.00 0.00 O ATOM 1365 CB PRO A 91 17.719 16.484 -8.575 1.00 0.00 C ATOM 1366 CG PRO A 91 17.089 17.548 -7.746 1.00 0.00 C ATOM 1367 CD PRO A 91 15.684 17.085 -7.475 1.00 0.00 C ATOM 0 HA PRO A 91 16.961 14.431 -8.872 1.00 0.00 H new ATOM 0 HB2 PRO A 91 18.801 16.467 -8.442 1.00 0.00 H new ATOM 0 HB3 PRO A 91 17.531 16.646 -9.636 1.00 0.00 H new ATOM 0 HG2 PRO A 91 17.638 17.694 -6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 91 17.091 18.504 -8.270 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.334 17.414 -6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 91 14.983 17.476 -8.212 1.00 0.00 H new ATOM 1375 N SER A 92 18.058 15.154 -5.871 1.00 0.00 N ATOM 1376 CA SER A 92 18.869 14.627 -4.779 1.00 0.00 C ATOM 1377 C SER A 92 18.101 14.672 -3.462 1.00 0.00 C ATOM 1378 O SER A 92 17.511 15.693 -3.109 1.00 0.00 O ATOM 1379 CB SER A 92 20.170 15.422 -4.651 1.00 0.00 C ATOM 1380 OG SER A 92 21.049 15.136 -5.725 1.00 0.00 O ATOM 0 H SER A 92 17.589 16.035 -5.661 1.00 0.00 H new ATOM 0 HA SER A 92 19.108 13.588 -5.006 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.948 16.489 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 92 20.656 15.181 -3.705 1.00 0.00 H new ATOM 0 HG SER A 92 21.872 15.657 -5.622 1.00 0.00 H new ATOM 1386 N SER A 93 18.113 13.557 -2.738 1.00 0.00 N ATOM 1387 CA SER A 93 17.416 13.467 -1.460 1.00 0.00 C ATOM 1388 C SER A 93 18.387 13.132 -0.333 1.00 0.00 C ATOM 1389 O SER A 93 18.504 11.979 0.079 1.00 0.00 O ATOM 1390 CB SER A 93 16.314 12.408 -1.531 1.00 0.00 C ATOM 1391 OG SER A 93 15.254 12.714 -0.643 1.00 0.00 O ATOM 0 H SER A 93 18.598 12.703 -3.015 1.00 0.00 H new ATOM 0 HA SER A 93 16.966 14.437 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 93 15.932 12.344 -2.550 1.00 0.00 H new ATOM 0 HB3 SER A 93 16.728 11.431 -1.284 1.00 0.00 H new ATOM 0 HG SER A 93 14.432 12.863 -1.155 1.00 0.00 H new ATOM 1397 N GLY A 94 19.083 14.150 0.162 1.00 0.00 N ATOM 1398 CA GLY A 94 20.036 13.945 1.237 1.00 0.00 C ATOM 1399 C GLY A 94 21.047 12.861 0.916 1.00 0.00 C ATOM 1400 O GLY A 94 21.454 12.137 1.822 1.00 0.00 O ATOM 0 H GLY A 94 19.004 15.114 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 94 20.561 14.879 1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 94 19.500 13.679 2.148 1.00 0.00 H new TER 1404 GLY A 94 HETATM 1405 ZN ZN A 201 -5.659 -11.980 3.078 1.00 0.00 ZN HETATM 1406 ZN ZN A 401 1.986 -10.189 -7.746 1.00 0.00 ZN