USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 500 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 Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -116:sc= -0.43 (180deg=-1.77) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -2.22! C(o=-2.2!,f=-16!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.0513 USER MOD Single : A 107 HIS : no HE2:sc= 0.592 K(o=0.59,f=-8.5!) USER MOD Single : A 109 MET CE :methyl -158:sc= -0.214 (180deg=-1.38) USER MOD Single : A 110 THR OG1 : rot 100:sc= 0.882 USER MOD Single : A 111 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.22) USER MOD Single : A 115 LYS NZ :NH3+ 161:sc= -0.0694 (180deg=-0.558) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.367 USER MOD Single : A 124 MET CE :methyl 151:sc= -0.126 (180deg=-3.08!) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 137 ASN : amide:sc= -1.11! C(o=-1.1!,f=-3.5!) USER MOD Single : A 138 TYR OH : rot -168:sc= 0.253 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -106:sc= -0.277 (180deg=-1.3) USER MOD Single : A 146 MET CE :methyl 136:sc= -0.203 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 81 -17.807 -4.768 -2.187 1.00 0.00 N ATOM 16 CA SER A 81 -16.420 -4.980 -2.588 1.00 0.00 C ATOM 17 C SER A 81 -15.582 -3.765 -2.217 1.00 0.00 C ATOM 18 O SER A 81 -14.494 -3.894 -1.654 1.00 0.00 O ATOM 19 CB SER A 81 -16.331 -5.214 -4.099 1.00 0.00 C ATOM 20 OG SER A 81 -15.096 -5.850 -4.401 1.00 0.00 O ATOM 0 HA SER A 81 -16.040 -5.859 -2.068 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.164 -5.833 -4.433 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.405 -4.266 -4.631 1.00 0.00 H new ATOM 0 HG SER A 81 -15.035 -6.004 -5.367 1.00 0.00 H new ATOM 26 N GLU A 82 -16.096 -2.583 -2.542 1.00 0.00 N ATOM 27 CA GLU A 82 -15.388 -1.345 -2.250 1.00 0.00 C ATOM 28 C GLU A 82 -15.119 -1.231 -0.753 1.00 0.00 C ATOM 29 O GLU A 82 -14.036 -0.815 -0.339 1.00 0.00 O ATOM 30 CB GLU A 82 -16.226 -0.153 -2.718 1.00 0.00 C ATOM 31 CG GLU A 82 -15.391 1.127 -2.648 1.00 0.00 C ATOM 32 CD GLU A 82 -14.381 1.154 -3.789 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.442 0.274 -4.630 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.561 2.058 -3.806 1.00 0.00 O ATOM 0 H GLU A 82 -16.996 -2.458 -3.005 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.435 -1.349 -2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.571 -0.318 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.114 -0.053 -2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.042 1.999 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.872 1.181 -1.691 1.00 0.00 H new ATOM 41 N GLU A 83 -16.103 -1.607 0.057 1.00 0.00 N ATOM 42 CA GLU A 83 -15.946 -1.545 1.504 1.00 0.00 C ATOM 43 C GLU A 83 -14.818 -2.474 1.944 1.00 0.00 C ATOM 44 O GLU A 83 -14.008 -2.127 2.805 1.00 0.00 O ATOM 45 CB GLU A 83 -17.255 -1.956 2.184 1.00 0.00 C ATOM 46 CG GLU A 83 -18.332 -0.900 1.915 1.00 0.00 C ATOM 47 CD GLU A 83 -17.980 0.401 2.629 1.00 0.00 C ATOM 48 OE1 GLU A 83 -17.218 0.346 3.579 1.00 0.00 O ATOM 49 OE2 GLU A 83 -18.487 1.433 2.218 1.00 0.00 O ATOM 0 H GLU A 83 -17.008 -1.954 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.698 -0.524 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.582 -2.926 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.100 -2.065 3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -18.420 -0.723 0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -19.301 -1.262 2.259 1.00 0.00 H new ATOM 56 N GLU A 84 -14.759 -3.648 1.325 1.00 0.00 N ATOM 57 CA GLU A 84 -13.722 -4.622 1.637 1.00 0.00 C ATOM 58 C GLU A 84 -12.355 -4.065 1.245 1.00 0.00 C ATOM 59 O GLU A 84 -11.381 -4.184 1.983 1.00 0.00 O ATOM 60 CB GLU A 84 -14.040 -5.928 0.879 1.00 0.00 C ATOM 61 CG GLU A 84 -12.766 -6.709 0.529 1.00 0.00 C ATOM 62 CD GLU A 84 -11.970 -7.010 1.795 1.00 0.00 C ATOM 63 OE1 GLU A 84 -12.513 -6.826 2.871 1.00 0.00 O ATOM 64 OE2 GLU A 84 -10.827 -7.422 1.668 1.00 0.00 O ATOM 0 H GLU A 84 -15.417 -3.947 0.605 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.696 -4.830 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.693 -6.552 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.585 -5.694 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.028 -7.639 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.155 -6.131 -0.165 1.00 0.00 H new ATOM 71 N LEU A 85 -12.295 -3.469 0.070 1.00 0.00 N ATOM 72 CA LEU A 85 -11.045 -2.906 -0.419 1.00 0.00 C ATOM 73 C LEU A 85 -10.516 -1.882 0.576 1.00 0.00 C ATOM 74 O LEU A 85 -9.328 -1.868 0.901 1.00 0.00 O ATOM 75 CB LEU A 85 -11.294 -2.236 -1.772 1.00 0.00 C ATOM 76 CG LEU A 85 -10.028 -1.549 -2.286 1.00 0.00 C ATOM 77 CD1 LEU A 85 -8.868 -2.554 -2.359 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.301 -0.969 -3.685 1.00 0.00 C ATOM 0 H LEU A 85 -13.089 -3.361 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.306 -3.699 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.626 -2.981 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.096 -1.504 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.752 -0.747 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.973 -2.051 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.674 -2.959 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.132 -3.366 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.402 -0.478 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.582 -1.774 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.113 -0.244 -3.626 1.00 0.00 H new ATOM 90 N LYS A 86 -11.412 -1.037 1.064 1.00 0.00 N ATOM 91 CA LYS A 86 -11.042 -0.017 2.037 1.00 0.00 C ATOM 92 C LYS A 86 -10.565 -0.663 3.334 1.00 0.00 C ATOM 93 O LYS A 86 -9.676 -0.136 4.005 1.00 0.00 O ATOM 94 CB LYS A 86 -12.223 0.915 2.292 1.00 0.00 C ATOM 95 CG LYS A 86 -12.433 1.786 1.050 1.00 0.00 C ATOM 96 CD LYS A 86 -13.618 2.725 1.267 1.00 0.00 C ATOM 97 CE LYS A 86 -13.748 3.660 0.063 1.00 0.00 C ATOM 98 NZ LYS A 86 -14.902 4.578 0.269 1.00 0.00 N ATOM 0 H LYS A 86 -12.398 -1.036 0.804 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.219 0.573 1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.122 0.337 2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.031 1.540 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.532 2.365 0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.612 1.155 0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.534 2.149 1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.475 3.305 2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.831 4.235 -0.065 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.890 3.079 -0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.990 5.214 -0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.775 4.021 0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.748 5.141 1.130 1.00 0.00 H new ATOM 112 N GLU A 87 -11.113 -1.831 3.657 1.00 0.00 N ATOM 113 CA GLU A 87 -10.662 -2.540 4.850 1.00 0.00 C ATOM 114 C GLU A 87 -9.220 -2.981 4.625 1.00 0.00 C ATOM 115 O GLU A 87 -8.371 -2.854 5.505 1.00 0.00 O ATOM 116 CB GLU A 87 -11.549 -3.752 5.156 1.00 0.00 C ATOM 117 CG GLU A 87 -12.906 -3.275 5.677 1.00 0.00 C ATOM 118 CD GLU A 87 -13.850 -4.462 5.839 1.00 0.00 C ATOM 119 OE1 GLU A 87 -13.440 -5.567 5.522 1.00 0.00 O ATOM 120 OE2 GLU A 87 -14.969 -4.249 6.273 1.00 0.00 O ATOM 0 H GLU A 87 -11.849 -2.296 3.126 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.727 -1.873 5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.684 -4.353 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.067 -4.390 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.779 -2.767 6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.336 -2.550 4.986 1.00 0.00 H new ATOM 127 N ALA A 88 -8.952 -3.477 3.417 1.00 0.00 N ATOM 128 CA ALA A 88 -7.606 -3.910 3.054 1.00 0.00 C ATOM 129 C ALA A 88 -6.653 -2.721 3.122 1.00 0.00 C ATOM 130 O ALA A 88 -5.552 -2.817 3.660 1.00 0.00 O ATOM 131 CB ALA A 88 -7.610 -4.490 1.639 1.00 0.00 C ATOM 0 H ALA A 88 -9.646 -3.588 2.678 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.275 -4.679 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.602 -4.811 1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.286 -5.344 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.945 -3.729 0.935 1.00 0.00 H new ATOM 137 N PHE A 89 -7.096 -1.594 2.579 1.00 0.00 N ATOM 138 CA PHE A 89 -6.297 -0.378 2.590 1.00 0.00 C ATOM 139 C PHE A 89 -6.003 0.055 4.024 1.00 0.00 C ATOM 140 O PHE A 89 -4.865 0.366 4.374 1.00 0.00 O ATOM 141 CB PHE A 89 -7.058 0.716 1.857 1.00 0.00 C ATOM 142 CG PHE A 89 -6.356 2.028 2.043 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.312 2.395 1.188 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.751 2.874 3.080 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.665 3.617 1.372 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.101 4.094 3.269 1.00 0.00 C ATOM 147 CZ PHE A 89 -5.057 4.465 2.413 1.00 0.00 C ATOM 0 H PHE A 89 -8.005 -1.498 2.126 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.346 -0.564 2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.127 0.476 0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.078 0.781 2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.008 1.735 0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.559 2.585 3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.862 3.908 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.402 4.750 4.073 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.553 5.409 2.557 1.00 0.00 H new ATOM 157 N ARG A 90 -7.045 0.074 4.843 1.00 0.00 N ATOM 158 CA ARG A 90 -6.909 0.471 6.237 1.00 0.00 C ATOM 159 C ARG A 90 -5.960 -0.477 6.963 1.00 0.00 C ATOM 160 O ARG A 90 -5.204 -0.069 7.845 1.00 0.00 O ATOM 161 CB ARG A 90 -8.280 0.463 6.908 1.00 0.00 C ATOM 162 CG ARG A 90 -8.162 1.020 8.326 1.00 0.00 C ATOM 163 CD ARG A 90 -9.561 1.167 8.923 1.00 0.00 C ATOM 164 NE ARG A 90 -10.387 1.982 8.040 1.00 0.00 N ATOM 165 CZ ARG A 90 -11.627 2.327 8.376 1.00 0.00 C ATOM 166 NH1 ARG A 90 -11.834 3.073 9.426 1.00 0.00 N ATOM 167 NH2 ARG A 90 -12.636 1.923 7.653 1.00 0.00 N ATOM 0 H ARG A 90 -7.993 -0.181 4.566 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.495 1.478 6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.983 1.062 6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.675 -0.552 6.937 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.558 0.354 8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.657 1.986 8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.015 0.185 9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.500 1.628 9.909 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.006 2.294 7.147 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.045 3.391 9.989 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.785 3.338 9.684 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.474 1.343 6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.587 2.188 7.911 1.00 0.00 H new ATOM 181 N VAL A 91 -5.982 -1.740 6.550 1.00 0.00 N ATOM 182 CA VAL A 91 -5.097 -2.751 7.126 1.00 0.00 C ATOM 183 C VAL A 91 -3.647 -2.464 6.729 1.00 0.00 C ATOM 184 O VAL A 91 -2.734 -2.553 7.552 1.00 0.00 O ATOM 185 CB VAL A 91 -5.508 -4.151 6.631 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.400 -5.171 6.943 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.814 -4.587 7.319 1.00 0.00 C ATOM 0 H VAL A 91 -6.602 -2.090 5.819 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.181 -2.718 8.212 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.662 -4.109 5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.702 -6.156 6.588 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.479 -4.872 6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.232 -5.208 8.019 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.099 -5.578 6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.664 -4.617 8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.605 -3.876 7.082 1.00 0.00 H new ATOM 197 N PHE A 92 -3.452 -2.139 5.454 1.00 0.00 N ATOM 198 CA PHE A 92 -2.121 -1.861 4.923 1.00 0.00 C ATOM 199 C PHE A 92 -1.476 -0.646 5.592 1.00 0.00 C ATOM 200 O PHE A 92 -0.274 -0.645 5.859 1.00 0.00 O ATOM 201 CB PHE A 92 -2.198 -1.599 3.407 1.00 0.00 C ATOM 202 CG PHE A 92 -2.337 -2.896 2.628 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.331 -3.869 2.692 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.458 -3.113 1.819 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.456 -5.052 1.954 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.584 -4.287 1.081 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.584 -5.263 1.150 1.00 0.00 C ATOM 0 H PHE A 92 -4.202 -2.062 4.767 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.509 -2.738 5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.047 -0.950 3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.302 -1.071 3.081 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.460 -3.707 3.310 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.233 -2.363 1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.682 -5.803 2.004 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.451 -4.444 0.457 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.681 -6.178 0.584 1.00 0.00 H new ATOM 217 N ASP A 93 -2.265 0.399 5.829 1.00 0.00 N ATOM 218 CA ASP A 93 -1.732 1.626 6.430 1.00 0.00 C ATOM 219 C ASP A 93 -1.821 1.610 7.953 1.00 0.00 C ATOM 220 O ASP A 93 -2.808 2.058 8.535 1.00 0.00 O ATOM 221 CB ASP A 93 -2.487 2.845 5.892 1.00 0.00 C ATOM 222 CG ASP A 93 -1.860 4.122 6.446 1.00 0.00 C ATOM 223 OD1 ASP A 93 -1.007 4.013 7.310 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.234 5.192 5.993 1.00 0.00 O ATOM 0 H ASP A 93 -3.263 0.425 5.619 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.678 1.685 6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.453 2.854 4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.537 2.790 6.178 1.00 0.00 H new ATOM 229 N LYS A 94 -0.775 1.093 8.586 1.00 0.00 N ATOM 230 CA LYS A 94 -0.739 1.027 10.046 1.00 0.00 C ATOM 231 C LYS A 94 -0.926 2.425 10.635 1.00 0.00 C ATOM 232 O LYS A 94 -1.647 2.613 11.615 1.00 0.00 O ATOM 233 CB LYS A 94 0.599 0.435 10.512 1.00 0.00 C ATOM 234 CG LYS A 94 1.705 1.488 10.394 1.00 0.00 C ATOM 235 CD LYS A 94 3.076 0.812 10.485 1.00 0.00 C ATOM 236 CE LYS A 94 3.247 0.145 11.859 1.00 0.00 C ATOM 237 NZ LYS A 94 2.781 -1.268 11.777 1.00 0.00 N ATOM 0 H LYS A 94 0.051 0.717 8.121 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.549 0.385 10.392 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.517 0.096 11.545 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.850 -0.438 9.909 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.614 2.020 9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.601 2.229 11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.176 0.067 9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.864 1.549 10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.292 0.179 12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.676 0.686 12.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.957 -1.398 12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.514 -1.489 10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.546 -1.904 12.080 1.00 0.00 H new ATOM 251 N ASP A 95 -0.265 3.401 10.018 1.00 0.00 N ATOM 252 CA ASP A 95 -0.354 4.783 10.464 1.00 0.00 C ATOM 253 C ASP A 95 -1.775 5.307 10.245 1.00 0.00 C ATOM 254 O ASP A 95 -2.213 6.252 10.900 1.00 0.00 O ATOM 255 CB ASP A 95 0.625 5.645 9.663 1.00 0.00 C ATOM 256 CG ASP A 95 2.014 5.012 9.648 1.00 0.00 C ATOM 257 OD1 ASP A 95 2.390 4.416 10.644 1.00 0.00 O ATOM 258 OD2 ASP A 95 2.684 5.136 8.631 1.00 0.00 O ATOM 0 H ASP A 95 0.338 3.257 9.208 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.106 4.831 11.524 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.262 5.762 8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.679 6.643 10.099 1.00 0.00 H new ATOM 263 N GLN A 96 -2.473 4.680 9.304 1.00 0.00 N ATOM 264 CA GLN A 96 -3.842 5.059 8.946 1.00 0.00 C ATOM 265 C GLN A 96 -3.998 6.576 8.791 1.00 0.00 C ATOM 266 O GLN A 96 -4.941 7.181 9.297 1.00 0.00 O ATOM 267 CB GLN A 96 -4.865 4.469 9.941 1.00 0.00 C ATOM 268 CG GLN A 96 -4.802 5.126 11.340 1.00 0.00 C ATOM 269 CD GLN A 96 -6.156 4.951 12.040 1.00 0.00 C ATOM 270 OE1 GLN A 96 -6.295 4.099 12.915 1.00 0.00 O ATOM 271 NE2 GLN A 96 -7.170 5.703 11.692 1.00 0.00 N ATOM 0 H GLN A 96 -2.109 3.894 8.766 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.053 4.626 7.968 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.869 4.590 9.535 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.689 3.398 10.041 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.010 4.670 11.934 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.561 6.185 11.247 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.055 6.410 10.966 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.075 5.582 12.147 1.00 0.00 H new ATOM 280 N ASN A 97 -3.085 7.173 8.025 1.00 0.00 N ATOM 281 CA ASN A 97 -3.131 8.611 7.745 1.00 0.00 C ATOM 282 C ASN A 97 -3.746 8.847 6.370 1.00 0.00 C ATOM 283 O ASN A 97 -3.854 9.980 5.905 1.00 0.00 O ATOM 284 CB ASN A 97 -1.717 9.192 7.764 1.00 0.00 C ATOM 285 CG ASN A 97 -0.873 8.520 6.688 1.00 0.00 C ATOM 286 OD1 ASN A 97 -1.394 7.746 5.884 1.00 0.00 O ATOM 287 ND2 ASN A 97 0.406 8.769 6.619 1.00 0.00 N ATOM 0 H ASN A 97 -2.304 6.685 7.587 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.736 9.099 8.509 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.753 10.268 7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.264 9.040 8.744 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.974 8.323 5.899 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.837 9.410 7.285 1.00 0.00 H new ATOM 294 N GLY A 98 -4.138 7.751 5.729 1.00 0.00 N ATOM 295 CA GLY A 98 -4.737 7.813 4.397 1.00 0.00 C ATOM 296 C GLY A 98 -3.672 7.650 3.317 1.00 0.00 C ATOM 297 O GLY A 98 -3.831 8.128 2.194 1.00 0.00 O ATOM 0 H GLY A 98 -4.052 6.808 6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.489 7.030 4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.250 8.766 4.268 1.00 0.00 H new ATOM 301 N PHE A 99 -2.590 6.956 3.665 1.00 0.00 N ATOM 302 CA PHE A 99 -1.499 6.710 2.723 1.00 0.00 C ATOM 303 C PHE A 99 -0.790 5.403 3.052 1.00 0.00 C ATOM 304 O PHE A 99 -0.711 5.008 4.213 1.00 0.00 O ATOM 305 CB PHE A 99 -0.475 7.841 2.796 1.00 0.00 C ATOM 306 CG PHE A 99 -1.067 9.112 2.243 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.802 9.962 3.077 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.880 9.438 0.895 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.350 11.142 2.562 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.428 10.618 0.381 1.00 0.00 C ATOM 311 CZ PHE A 99 -2.165 11.470 1.213 1.00 0.00 C ATOM 0 H PHE A 99 -2.445 6.554 4.591 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.928 6.654 1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.165 7.995 3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.418 7.571 2.232 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.946 9.708 4.117 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.314 8.780 0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.916 11.800 3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.283 10.872 -0.659 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.590 12.379 0.815 1.00 0.00 H new ATOM 321 N ILE A 100 -0.230 4.760 2.028 1.00 0.00 N ATOM 322 CA ILE A 100 0.527 3.524 2.225 1.00 0.00 C ATOM 323 C ILE A 100 1.971 3.790 1.842 1.00 0.00 C ATOM 324 O ILE A 100 2.251 4.334 0.774 1.00 0.00 O ATOM 325 CB ILE A 100 -0.042 2.379 1.384 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.488 2.124 1.815 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.787 1.112 1.624 1.00 0.00 C ATOM 328 CD1 ILE A 100 -2.176 1.191 0.817 1.00 0.00 C ATOM 0 H ILE A 100 -0.285 5.072 1.059 1.00 0.00 H new ATOM 0 HA ILE A 100 0.458 3.221 3.270 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.007 2.641 0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.506 1.681 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.030 3.068 1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.384 0.295 1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.823 1.295 1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.745 0.844 2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.205 1.016 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.173 1.650 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.642 0.242 0.778 1.00 0.00 H new ATOM 340 N SER A 101 2.882 3.422 2.729 1.00 0.00 N ATOM 341 CA SER A 101 4.308 3.640 2.497 1.00 0.00 C ATOM 342 C SER A 101 5.030 2.310 2.410 1.00 0.00 C ATOM 343 O SER A 101 4.580 1.315 2.977 1.00 0.00 O ATOM 344 CB SER A 101 4.896 4.462 3.643 1.00 0.00 C ATOM 345 OG SER A 101 6.315 4.447 3.554 1.00 0.00 O ATOM 0 H SER A 101 2.663 2.971 3.617 1.00 0.00 H new ATOM 0 HA SER A 101 4.435 4.179 1.558 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.528 5.487 3.596 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.576 4.052 4.601 1.00 0.00 H new ATOM 0 HG SER A 101 6.694 4.975 4.287 1.00 0.00 H new ATOM 351 N ALA A 102 6.165 2.293 1.719 1.00 0.00 N ATOM 352 CA ALA A 102 6.932 1.063 1.605 1.00 0.00 C ATOM 353 C ALA A 102 7.157 0.519 3.006 1.00 0.00 C ATOM 354 O ALA A 102 7.051 -0.682 3.247 1.00 0.00 O ATOM 355 CB ALA A 102 8.276 1.337 0.928 1.00 0.00 C ATOM 0 H ALA A 102 6.566 3.099 1.240 1.00 0.00 H new ATOM 0 HA ALA A 102 6.389 0.338 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.840 0.408 0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.105 1.743 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.842 2.056 1.521 1.00 0.00 H new ATOM 361 N ALA A 103 7.442 1.432 3.928 1.00 0.00 N ATOM 362 CA ALA A 103 7.658 1.059 5.315 1.00 0.00 C ATOM 363 C ALA A 103 6.487 0.218 5.808 1.00 0.00 C ATOM 364 O ALA A 103 6.670 -0.901 6.282 1.00 0.00 O ATOM 365 CB ALA A 103 7.766 2.326 6.168 1.00 0.00 C ATOM 0 H ALA A 103 7.528 2.431 3.738 1.00 0.00 H new ATOM 0 HA ALA A 103 8.578 0.480 5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.928 2.050 7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.603 2.930 5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.844 2.901 6.084 1.00 0.00 H new ATOM 371 N GLU A 104 5.283 0.763 5.682 1.00 0.00 N ATOM 372 CA GLU A 104 4.092 0.061 6.108 1.00 0.00 C ATOM 373 C GLU A 104 3.922 -1.210 5.292 1.00 0.00 C ATOM 374 O GLU A 104 3.583 -2.267 5.825 1.00 0.00 O ATOM 375 CB GLU A 104 2.882 0.968 5.906 1.00 0.00 C ATOM 376 CG GLU A 104 3.048 2.229 6.747 1.00 0.00 C ATOM 377 CD GLU A 104 1.829 3.125 6.573 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.439 3.344 5.436 1.00 0.00 O ATOM 379 OE2 GLU A 104 1.296 3.570 7.574 1.00 0.00 O ATOM 0 H GLU A 104 5.112 1.688 5.288 1.00 0.00 H new ATOM 0 HA GLU A 104 4.181 -0.205 7.161 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.782 1.231 4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.970 0.445 6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.170 1.964 7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.950 2.763 6.446 1.00 0.00 H new ATOM 386 N LEU A 105 4.166 -1.097 3.995 1.00 0.00 N ATOM 387 CA LEU A 105 4.046 -2.236 3.101 1.00 0.00 C ATOM 388 C LEU A 105 5.051 -3.315 3.505 1.00 0.00 C ATOM 389 O LEU A 105 4.739 -4.503 3.507 1.00 0.00 O ATOM 390 CB LEU A 105 4.308 -1.781 1.653 1.00 0.00 C ATOM 391 CG LEU A 105 3.611 -2.730 0.654 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.158 -2.278 0.436 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.351 -2.706 -0.688 1.00 0.00 C ATOM 0 H LEU A 105 4.448 -0.229 3.540 1.00 0.00 H new ATOM 0 HA LEU A 105 3.040 -2.649 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.942 -0.764 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.381 -1.763 1.459 1.00 0.00 H new ATOM 0 HG LEU A 105 3.623 -3.742 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.670 -2.950 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.624 -2.299 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.148 -1.264 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.855 -3.377 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.344 -1.693 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.381 -3.031 -0.541 1.00 0.00 H new ATOM 405 N ARG A 106 6.252 -2.879 3.863 1.00 0.00 N ATOM 406 CA ARG A 106 7.295 -3.810 4.286 1.00 0.00 C ATOM 407 C ARG A 106 6.895 -4.485 5.596 1.00 0.00 C ATOM 408 O ARG A 106 7.061 -5.692 5.759 1.00 0.00 O ATOM 409 CB ARG A 106 8.626 -3.073 4.469 1.00 0.00 C ATOM 410 CG ARG A 106 9.727 -4.078 4.827 1.00 0.00 C ATOM 411 CD ARG A 106 11.063 -3.347 4.977 1.00 0.00 C ATOM 412 NE ARG A 106 12.149 -4.305 5.181 1.00 0.00 N ATOM 413 CZ ARG A 106 12.517 -4.693 6.402 1.00 0.00 C ATOM 414 NH1 ARG A 106 11.616 -5.042 7.278 1.00 0.00 N ATOM 415 NH2 ARG A 106 13.783 -4.727 6.720 1.00 0.00 N ATOM 0 H ARG A 106 6.528 -1.897 3.870 1.00 0.00 H new ATOM 0 HA ARG A 106 7.416 -4.570 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.888 -2.542 3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.533 -2.324 5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.476 -4.592 5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.803 -4.840 4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.259 -2.749 4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.015 -2.658 5.820 1.00 0.00 H new ATOM 0 HE ARG A 106 12.636 -4.685 4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.627 -5.018 7.029 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.900 -5.339 8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.488 -4.457 6.035 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.066 -5.024 7.654 1.00 0.00 H new ATOM 429 N HIS A 107 6.370 -3.692 6.525 1.00 0.00 N ATOM 430 CA HIS A 107 5.950 -4.215 7.822 1.00 0.00 C ATOM 431 C HIS A 107 4.751 -5.151 7.678 1.00 0.00 C ATOM 432 O HIS A 107 4.720 -6.228 8.271 1.00 0.00 O ATOM 433 CB HIS A 107 5.590 -3.051 8.754 1.00 0.00 C ATOM 434 CG HIS A 107 6.849 -2.372 9.226 1.00 0.00 C ATOM 435 ND1 HIS A 107 7.503 -1.416 8.467 1.00 0.00 N ATOM 436 CD2 HIS A 107 7.585 -2.503 10.377 1.00 0.00 C ATOM 437 CE1 HIS A 107 8.583 -1.014 9.161 1.00 0.00 C ATOM 438 NE2 HIS A 107 8.679 -1.646 10.334 1.00 0.00 N ATOM 0 H HIS A 107 6.225 -2.689 6.406 1.00 0.00 H new ATOM 0 HA HIS A 107 6.777 -4.785 8.246 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.954 -2.337 8.231 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.021 -3.419 9.608 1.00 0.00 H new ATOM 0 HD1 HIS A 107 7.217 -1.078 7.548 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.350 -3.171 11.193 1.00 0.00 H new ATOM 0 HE1 HIS A 107 9.286 -0.272 8.813 1.00 0.00 H new ATOM 446 N VAL A 108 3.767 -4.736 6.886 1.00 0.00 N ATOM 447 CA VAL A 108 2.574 -5.549 6.674 1.00 0.00 C ATOM 448 C VAL A 108 2.943 -6.849 5.966 1.00 0.00 C ATOM 449 O VAL A 108 2.486 -7.926 6.347 1.00 0.00 O ATOM 450 CB VAL A 108 1.549 -4.758 5.851 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.361 -5.658 5.485 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.052 -3.560 6.677 1.00 0.00 C ATOM 0 H VAL A 108 3.771 -3.848 6.384 1.00 0.00 H new ATOM 0 HA VAL A 108 2.132 -5.798 7.639 1.00 0.00 H new ATOM 0 HB VAL A 108 2.020 -4.403 4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.361 -5.088 4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.714 -6.506 4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.115 -6.021 6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.323 -2.995 6.096 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.585 -3.919 7.594 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.895 -2.916 6.927 1.00 0.00 H new ATOM 462 N MET A 109 3.788 -6.742 4.946 1.00 0.00 N ATOM 463 CA MET A 109 4.231 -7.914 4.208 1.00 0.00 C ATOM 464 C MET A 109 5.058 -8.820 5.119 1.00 0.00 C ATOM 465 O MET A 109 4.991 -10.046 5.022 1.00 0.00 O ATOM 466 CB MET A 109 5.060 -7.475 2.995 1.00 0.00 C ATOM 467 CG MET A 109 4.122 -7.065 1.852 1.00 0.00 C ATOM 468 SD MET A 109 2.783 -6.020 2.486 1.00 0.00 S ATOM 469 CE MET A 109 1.887 -5.833 0.925 1.00 0.00 C ATOM 0 H MET A 109 4.177 -5.859 4.615 1.00 0.00 H new ATOM 0 HA MET A 109 3.362 -8.472 3.859 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.706 -6.640 3.266 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.709 -8.289 2.672 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.682 -6.527 1.087 1.00 0.00 H new ATOM 0 HG3 MET A 109 3.706 -7.953 1.377 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.264 -4.940 0.968 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.600 -5.739 0.106 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.257 -6.707 0.760 1.00 0.00 H new ATOM 479 N THR A 110 5.822 -8.205 6.020 1.00 0.00 N ATOM 480 CA THR A 110 6.643 -8.962 6.962 1.00 0.00 C ATOM 481 C THR A 110 5.748 -9.799 7.872 1.00 0.00 C ATOM 482 O THR A 110 6.002 -10.983 8.095 1.00 0.00 O ATOM 483 CB THR A 110 7.496 -8.005 7.797 1.00 0.00 C ATOM 484 OG1 THR A 110 8.363 -7.279 6.938 1.00 0.00 O ATOM 485 CG2 THR A 110 8.326 -8.802 8.805 1.00 0.00 C ATOM 0 H THR A 110 5.889 -7.192 6.117 1.00 0.00 H new ATOM 0 HA THR A 110 7.303 -9.628 6.406 1.00 0.00 H new ATOM 0 HB THR A 110 6.847 -7.313 8.333 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.990 -6.388 6.774 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.933 -8.118 9.398 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.661 -9.361 9.463 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.977 -9.496 8.273 1.00 0.00 H new ATOM 493 N ASN A 111 4.683 -9.178 8.374 1.00 0.00 N ATOM 494 CA ASN A 111 3.731 -9.869 9.239 1.00 0.00 C ATOM 495 C ASN A 111 3.113 -11.025 8.464 1.00 0.00 C ATOM 496 O ASN A 111 2.852 -12.100 9.003 1.00 0.00 O ATOM 497 CB ASN A 111 2.621 -8.898 9.663 1.00 0.00 C ATOM 498 CG ASN A 111 3.116 -7.968 10.763 1.00 0.00 C ATOM 499 OD1 ASN A 111 3.654 -8.425 11.772 1.00 0.00 O ATOM 500 ND2 ASN A 111 2.957 -6.679 10.630 1.00 0.00 N ATOM 0 H ASN A 111 4.458 -8.199 8.197 1.00 0.00 H new ATOM 0 HA ASN A 111 4.244 -10.242 10.126 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.294 -8.313 8.804 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.755 -9.458 10.015 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.279 -6.047 11.363 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.511 -6.304 9.793 1.00 0.00 H new ATOM 507 N LEU A 112 2.884 -10.761 7.189 1.00 0.00 N ATOM 508 CA LEU A 112 2.289 -11.725 6.274 1.00 0.00 C ATOM 509 C LEU A 112 3.178 -12.968 6.166 1.00 0.00 C ATOM 510 O LEU A 112 2.696 -14.100 6.117 1.00 0.00 O ATOM 511 CB LEU A 112 2.189 -11.030 4.895 1.00 0.00 C ATOM 512 CG LEU A 112 0.957 -11.465 4.071 1.00 0.00 C ATOM 513 CD1 LEU A 112 0.692 -12.972 4.176 1.00 0.00 C ATOM 514 CD2 LEU A 112 -0.271 -10.680 4.542 1.00 0.00 C ATOM 0 H LEU A 112 3.107 -9.865 6.755 1.00 0.00 H new ATOM 0 HA LEU A 112 1.308 -12.043 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.154 -9.951 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.092 -11.244 4.323 1.00 0.00 H new ATOM 0 HG LEU A 112 1.161 -11.248 3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.184 -13.230 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.558 -13.520 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.513 -13.238 5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.142 -10.985 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.449 -10.882 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.097 -9.613 4.401 1.00 0.00 H new ATOM 526 N GLY A 113 4.482 -12.728 6.092 1.00 0.00 N ATOM 527 CA GLY A 113 5.455 -13.805 5.932 1.00 0.00 C ATOM 528 C GLY A 113 5.800 -13.896 4.456 1.00 0.00 C ATOM 529 O GLY A 113 6.532 -14.780 4.010 1.00 0.00 O ATOM 0 H GLY A 113 4.892 -11.795 6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.349 -13.604 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.043 -14.749 6.288 1.00 0.00 H new ATOM 533 N GLU A 114 5.270 -12.921 3.722 1.00 0.00 N ATOM 534 CA GLU A 114 5.496 -12.786 2.290 1.00 0.00 C ATOM 535 C GLU A 114 6.351 -11.550 2.051 1.00 0.00 C ATOM 536 O GLU A 114 5.847 -10.507 1.638 1.00 0.00 O ATOM 537 CB GLU A 114 4.159 -12.621 1.579 1.00 0.00 C ATOM 538 CG GLU A 114 3.364 -13.916 1.698 1.00 0.00 C ATOM 539 CD GLU A 114 4.024 -15.017 0.876 1.00 0.00 C ATOM 540 OE1 GLU A 114 4.775 -14.687 -0.026 1.00 0.00 O ATOM 541 OE2 GLU A 114 3.763 -16.176 1.156 1.00 0.00 O ATOM 0 H GLU A 114 4.666 -12.197 4.111 1.00 0.00 H new ATOM 0 HA GLU A 114 6.000 -13.672 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 114 3.599 -11.795 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.320 -12.374 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.304 -14.219 2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.342 -13.757 1.353 1.00 0.00 H new ATOM 548 N LYS A 115 7.648 -11.666 2.330 1.00 0.00 N ATOM 549 CA LYS A 115 8.570 -10.540 2.158 1.00 0.00 C ATOM 550 C LYS A 115 9.420 -10.726 0.913 1.00 0.00 C ATOM 551 O LYS A 115 9.875 -11.831 0.613 1.00 0.00 O ATOM 552 CB LYS A 115 9.469 -10.406 3.388 1.00 0.00 C ATOM 553 CG LYS A 115 10.277 -11.689 3.588 1.00 0.00 C ATOM 554 CD LYS A 115 11.129 -11.556 4.854 1.00 0.00 C ATOM 555 CE LYS A 115 11.909 -12.850 5.089 1.00 0.00 C ATOM 556 NZ LYS A 115 12.817 -13.101 3.935 1.00 0.00 N ATOM 0 H LYS A 115 8.084 -12.521 2.674 1.00 0.00 H new ATOM 0 HA LYS A 115 7.982 -9.629 2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.142 -9.558 3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.863 -10.207 4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 115 9.607 -12.545 3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.915 -11.869 2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.818 -10.718 4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.492 -11.343 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.487 -12.776 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.220 -13.685 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.561 -13.771 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.272 -13.502 3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.253 -12.206 3.635 1.00 0.00 H new ATOM 570 N LEU A 116 9.636 -9.630 0.189 1.00 0.00 N ATOM 571 CA LEU A 116 10.433 -9.653 -1.038 1.00 0.00 C ATOM 572 C LEU A 116 11.735 -8.894 -0.818 1.00 0.00 C ATOM 573 O LEU A 116 12.024 -8.436 0.287 1.00 0.00 O ATOM 574 CB LEU A 116 9.679 -8.988 -2.200 1.00 0.00 C ATOM 575 CG LEU A 116 8.214 -9.460 -2.263 1.00 0.00 C ATOM 576 CD1 LEU A 116 8.155 -10.996 -2.273 1.00 0.00 C ATOM 577 CD2 LEU A 116 7.404 -8.891 -1.070 1.00 0.00 C ATOM 0 H LEU A 116 9.269 -8.710 0.432 1.00 0.00 H new ATOM 0 HA LEU A 116 10.632 -10.695 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.709 -7.905 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.179 -9.221 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 116 7.767 -9.087 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.115 -11.320 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.691 -11.375 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.617 -11.384 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.372 -9.236 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.845 -9.234 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.425 -7.802 -1.103 1.00 0.00 H new ATOM 589 N THR A 117 12.504 -8.745 -1.888 1.00 0.00 N ATOM 590 CA THR A 117 13.756 -8.016 -1.812 1.00 0.00 C ATOM 591 C THR A 117 13.473 -6.528 -1.718 1.00 0.00 C ATOM 592 O THR A 117 12.344 -6.086 -1.930 1.00 0.00 O ATOM 593 CB THR A 117 14.611 -8.292 -3.047 1.00 0.00 C ATOM 594 OG1 THR A 117 14.085 -7.577 -4.156 1.00 0.00 O ATOM 595 CG2 THR A 117 14.603 -9.787 -3.344 1.00 0.00 C ATOM 0 H THR A 117 12.282 -9.117 -2.811 1.00 0.00 H new ATOM 0 HA THR A 117 14.299 -8.346 -0.926 1.00 0.00 H new ATOM 0 HB THR A 117 15.635 -7.967 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 117 14.634 -7.752 -4.948 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.213 -9.986 -4.225 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.010 -10.330 -2.491 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.580 -10.116 -3.529 1.00 0.00 H new ATOM 603 N ASP A 118 14.499 -5.761 -1.407 1.00 0.00 N ATOM 604 CA ASP A 118 14.352 -4.322 -1.300 1.00 0.00 C ATOM 605 C ASP A 118 13.943 -3.746 -2.647 1.00 0.00 C ATOM 606 O ASP A 118 13.114 -2.838 -2.723 1.00 0.00 O ATOM 607 CB ASP A 118 15.683 -3.720 -0.855 1.00 0.00 C ATOM 608 CG ASP A 118 15.571 -2.205 -0.737 1.00 0.00 C ATOM 609 OD1 ASP A 118 14.809 -1.752 0.100 1.00 0.00 O ATOM 610 OD2 ASP A 118 16.250 -1.520 -1.485 1.00 0.00 O ATOM 0 H ASP A 118 15.441 -6.108 -1.224 1.00 0.00 H new ATOM 0 HA ASP A 118 13.581 -4.082 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.978 -4.145 0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 118 16.463 -3.978 -1.571 1.00 0.00 H new ATOM 615 N GLU A 119 14.544 -4.272 -3.704 1.00 0.00 N ATOM 616 CA GLU A 119 14.262 -3.806 -5.052 1.00 0.00 C ATOM 617 C GLU A 119 12.837 -4.147 -5.486 1.00 0.00 C ATOM 618 O GLU A 119 12.193 -3.353 -6.171 1.00 0.00 O ATOM 619 CB GLU A 119 15.254 -4.433 -6.027 1.00 0.00 C ATOM 620 CG GLU A 119 15.163 -3.723 -7.379 1.00 0.00 C ATOM 621 CD GLU A 119 15.735 -2.312 -7.268 1.00 0.00 C ATOM 622 OE1 GLU A 119 16.294 -2.001 -6.228 1.00 0.00 O ATOM 623 OE2 GLU A 119 15.603 -1.562 -8.221 1.00 0.00 O ATOM 0 H GLU A 119 15.232 -5.024 -3.653 1.00 0.00 H new ATOM 0 HA GLU A 119 14.362 -2.721 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.267 -4.355 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 119 15.039 -5.495 -6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.711 -4.288 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.124 -3.678 -7.706 1.00 0.00 H new ATOM 630 N GLU A 120 12.328 -5.307 -5.074 1.00 0.00 N ATOM 631 CA GLU A 120 10.963 -5.678 -5.433 1.00 0.00 C ATOM 632 C GLU A 120 9.995 -4.768 -4.702 1.00 0.00 C ATOM 633 O GLU A 120 9.045 -4.244 -5.285 1.00 0.00 O ATOM 634 CB GLU A 120 10.683 -7.134 -5.058 1.00 0.00 C ATOM 635 CG GLU A 120 11.349 -8.060 -6.073 1.00 0.00 C ATOM 636 CD GLU A 120 10.615 -7.988 -7.408 1.00 0.00 C ATOM 637 OE1 GLU A 120 9.405 -8.150 -7.404 1.00 0.00 O ATOM 638 OE2 GLU A 120 11.272 -7.778 -8.412 1.00 0.00 O ATOM 0 H GLU A 120 12.827 -5.991 -4.505 1.00 0.00 H new ATOM 0 HA GLU A 120 10.837 -5.570 -6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 120 11.062 -7.342 -4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.608 -7.314 -5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.393 -7.775 -6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.344 -9.084 -5.701 1.00 0.00 H new ATOM 645 N VAL A 121 10.252 -4.587 -3.413 1.00 0.00 N ATOM 646 CA VAL A 121 9.415 -3.742 -2.586 1.00 0.00 C ATOM 647 C VAL A 121 9.413 -2.313 -3.133 1.00 0.00 C ATOM 648 O VAL A 121 8.356 -1.712 -3.319 1.00 0.00 O ATOM 649 CB VAL A 121 9.973 -3.763 -1.154 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.365 -2.631 -0.318 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.649 -5.108 -0.500 1.00 0.00 C ATOM 0 H VAL A 121 11.036 -5.017 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 121 8.389 -4.110 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 121 11.053 -3.622 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.774 -2.665 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.606 -1.671 -0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.282 -2.751 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.045 -5.123 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.568 -5.247 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 121 10.103 -5.913 -1.078 1.00 0.00 H new ATOM 661 N ASP A 122 10.604 -1.779 -3.397 1.00 0.00 N ATOM 662 CA ASP A 122 10.725 -0.424 -3.929 1.00 0.00 C ATOM 663 C ASP A 122 10.140 -0.339 -5.342 1.00 0.00 C ATOM 664 O ASP A 122 9.359 0.563 -5.644 1.00 0.00 O ATOM 665 CB ASP A 122 12.207 -0.016 -3.956 1.00 0.00 C ATOM 666 CG ASP A 122 12.670 0.430 -2.568 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.825 0.743 -1.746 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.870 0.449 -2.348 1.00 0.00 O ATOM 0 H ASP A 122 11.492 -2.260 -3.253 1.00 0.00 H new ATOM 0 HA ASP A 122 10.166 0.255 -3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.814 -0.855 -4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.354 0.793 -4.671 1.00 0.00 H new ATOM 673 N GLU A 123 10.539 -1.269 -6.212 1.00 0.00 N ATOM 674 CA GLU A 123 10.063 -1.267 -7.594 1.00 0.00 C ATOM 675 C GLU A 123 8.542 -1.306 -7.638 1.00 0.00 C ATOM 676 O GLU A 123 7.914 -0.590 -8.418 1.00 0.00 O ATOM 677 CB GLU A 123 10.631 -2.477 -8.343 1.00 0.00 C ATOM 678 CG GLU A 123 10.190 -2.437 -9.810 1.00 0.00 C ATOM 679 CD GLU A 123 10.823 -3.593 -10.575 1.00 0.00 C ATOM 680 OE1 GLU A 123 11.367 -4.476 -9.933 1.00 0.00 O ATOM 681 OE2 GLU A 123 10.756 -3.579 -11.794 1.00 0.00 O ATOM 0 H GLU A 123 11.184 -2.026 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 123 10.403 -0.350 -8.074 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.719 -2.476 -8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.286 -3.399 -7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 123 9.104 -2.499 -9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 123 10.482 -1.488 -10.261 1.00 0.00 H new ATOM 688 N MET A 124 7.953 -2.128 -6.782 1.00 0.00 N ATOM 689 CA MET A 124 6.504 -2.234 -6.714 1.00 0.00 C ATOM 690 C MET A 124 5.901 -0.913 -6.252 1.00 0.00 C ATOM 691 O MET A 124 4.883 -0.456 -6.773 1.00 0.00 O ATOM 692 CB MET A 124 6.131 -3.350 -5.735 1.00 0.00 C ATOM 693 CG MET A 124 4.623 -3.348 -5.493 1.00 0.00 C ATOM 694 SD MET A 124 4.127 -4.925 -4.755 1.00 0.00 S ATOM 695 CE MET A 124 5.266 -4.894 -3.349 1.00 0.00 C ATOM 0 H MET A 124 8.454 -2.729 -6.128 1.00 0.00 H new ATOM 0 HA MET A 124 6.110 -2.467 -7.703 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.442 -4.315 -6.135 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.659 -3.210 -4.792 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.351 -2.524 -4.833 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.093 -3.192 -6.433 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.829 -5.443 -2.515 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.210 -5.358 -3.635 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.446 -3.862 -3.049 1.00 0.00 H new ATOM 705 N ILE A 125 6.554 -0.316 -5.272 1.00 0.00 N ATOM 706 CA ILE A 125 6.117 0.957 -4.711 1.00 0.00 C ATOM 707 C ILE A 125 6.266 2.092 -5.734 1.00 0.00 C ATOM 708 O ILE A 125 5.349 2.892 -5.914 1.00 0.00 O ATOM 709 CB ILE A 125 6.943 1.225 -3.434 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.394 0.374 -2.266 1.00 0.00 C ATOM 711 CG2 ILE A 125 6.936 2.708 -3.050 1.00 0.00 C ATOM 712 CD1 ILE A 125 4.944 0.755 -1.911 1.00 0.00 C ATOM 0 H ILE A 125 7.398 -0.694 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 125 5.058 0.912 -4.456 1.00 0.00 H new ATOM 0 HB ILE A 125 7.975 0.943 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.437 -0.682 -2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.029 0.506 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.528 2.853 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.363 3.296 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.911 3.032 -2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.596 0.134 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.905 1.804 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.304 0.597 -2.779 1.00 0.00 H new ATOM 724 N ARG A 126 7.412 2.147 -6.408 1.00 0.00 N ATOM 725 CA ARG A 126 7.643 3.182 -7.416 1.00 0.00 C ATOM 726 C ARG A 126 6.712 2.970 -8.606 1.00 0.00 C ATOM 727 O ARG A 126 6.253 3.922 -9.235 1.00 0.00 O ATOM 728 CB ARG A 126 9.099 3.149 -7.888 1.00 0.00 C ATOM 729 CG ARG A 126 10.009 3.660 -6.767 1.00 0.00 C ATOM 730 CD ARG A 126 11.468 3.589 -7.218 1.00 0.00 C ATOM 731 NE ARG A 126 12.347 4.068 -6.157 1.00 0.00 N ATOM 732 CZ ARG A 126 13.628 4.331 -6.391 1.00 0.00 C ATOM 733 NH1 ARG A 126 13.963 5.169 -7.334 1.00 0.00 N ATOM 734 NH2 ARG A 126 14.553 3.753 -5.674 1.00 0.00 N ATOM 0 H ARG A 126 8.187 1.497 -6.278 1.00 0.00 H new ATOM 0 HA ARG A 126 7.438 4.155 -6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.380 2.133 -8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.218 3.767 -8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.746 4.687 -6.511 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.866 3.061 -5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.726 2.563 -7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.608 4.191 -8.116 1.00 0.00 H new ATOM 0 HE ARG A 126 11.971 4.203 -5.218 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.241 5.623 -7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.947 5.370 -7.512 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.292 3.100 -4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 126 15.537 3.954 -5.853 1.00 0.00 H new ATOM 748 N GLU A 127 6.435 1.706 -8.891 1.00 0.00 N ATOM 749 CA GLU A 127 5.551 1.340 -9.992 1.00 0.00 C ATOM 750 C GLU A 127 4.108 1.729 -9.665 1.00 0.00 C ATOM 751 O GLU A 127 3.342 2.110 -10.550 1.00 0.00 O ATOM 752 CB GLU A 127 5.645 -0.167 -10.241 1.00 0.00 C ATOM 753 CG GLU A 127 4.799 -0.552 -11.455 1.00 0.00 C ATOM 754 CD GLU A 127 4.930 -2.049 -11.721 1.00 0.00 C ATOM 755 OE1 GLU A 127 5.462 -2.737 -10.866 1.00 0.00 O ATOM 756 OE2 GLU A 127 4.497 -2.485 -12.775 1.00 0.00 O ATOM 0 H GLU A 127 6.811 0.912 -8.373 1.00 0.00 H new ATOM 0 HA GLU A 127 5.858 1.875 -10.891 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.684 -0.452 -10.407 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.302 -0.711 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 127 3.755 -0.294 -11.279 1.00 0.00 H new ATOM 0 HG3 GLU A 127 5.123 0.012 -12.330 1.00 0.00 H new ATOM 763 N ALA A 128 3.751 1.634 -8.381 1.00 0.00 N ATOM 764 CA ALA A 128 2.398 1.983 -7.937 1.00 0.00 C ATOM 765 C ALA A 128 2.305 3.474 -7.647 1.00 0.00 C ATOM 766 O ALA A 128 1.212 4.040 -7.590 1.00 0.00 O ATOM 767 CB ALA A 128 2.013 1.176 -6.693 1.00 0.00 C ATOM 0 H ALA A 128 4.374 1.321 -7.636 1.00 0.00 H new ATOM 0 HA ALA A 128 1.700 1.737 -8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.006 1.450 -6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.044 0.112 -6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.715 1.392 -5.888 1.00 0.00 H new ATOM 773 N ASP A 129 3.459 4.117 -7.523 1.00 0.00 N ATOM 774 CA ASP A 129 3.523 5.552 -7.313 1.00 0.00 C ATOM 775 C ASP A 129 3.869 6.171 -8.644 1.00 0.00 C ATOM 776 O ASP A 129 4.897 5.836 -9.228 1.00 0.00 O ATOM 777 CB ASP A 129 4.624 5.918 -6.318 1.00 0.00 C ATOM 778 CG ASP A 129 4.589 7.416 -6.012 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.769 8.105 -6.597 1.00 0.00 O ATOM 780 OD2 ASP A 129 5.388 7.847 -5.204 1.00 0.00 O ATOM 0 H ASP A 129 4.370 3.659 -7.565 1.00 0.00 H new ATOM 0 HA ASP A 129 2.572 5.908 -6.918 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.495 5.349 -5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.597 5.646 -6.727 1.00 0.00 H new ATOM 785 N VAL A 130 3.046 7.084 -9.117 1.00 0.00 N ATOM 786 CA VAL A 130 3.308 7.756 -10.375 1.00 0.00 C ATOM 787 C VAL A 130 3.310 9.278 -10.130 1.00 0.00 C ATOM 788 O VAL A 130 3.767 10.042 -10.984 1.00 0.00 O ATOM 789 CB VAL A 130 2.298 7.291 -11.422 1.00 0.00 C ATOM 790 CG1 VAL A 130 0.950 7.012 -10.735 1.00 0.00 C ATOM 791 CG2 VAL A 130 2.201 8.338 -12.544 1.00 0.00 C ATOM 0 H VAL A 130 2.189 7.379 -8.649 1.00 0.00 H new ATOM 0 HA VAL A 130 4.290 7.500 -10.773 1.00 0.00 H new ATOM 0 HB VAL A 130 2.620 6.360 -11.888 1.00 0.00 H new ATOM 0 HG11 VAL A 130 0.225 6.680 -11.478 1.00 0.00 H new ATOM 0 HG12 VAL A 130 1.080 6.235 -9.981 1.00 0.00 H new ATOM 0 HG13 VAL A 130 0.589 7.923 -10.258 1.00 0.00 H new ATOM 0 HG21 VAL A 130 1.480 8.005 -13.291 1.00 0.00 H new ATOM 0 HG22 VAL A 130 1.877 9.291 -12.126 1.00 0.00 H new ATOM 0 HG23 VAL A 130 3.178 8.461 -13.012 1.00 0.00 H new ATOM 801 N ASP A 131 2.898 9.694 -8.907 1.00 0.00 N ATOM 802 CA ASP A 131 2.980 11.128 -8.498 1.00 0.00 C ATOM 803 C ASP A 131 4.341 11.273 -7.837 1.00 0.00 C ATOM 804 O ASP A 131 4.757 12.357 -7.420 1.00 0.00 O ATOM 805 CB ASP A 131 1.922 11.588 -7.458 1.00 0.00 C ATOM 806 CG ASP A 131 0.501 11.409 -7.972 1.00 0.00 C ATOM 807 OD1 ASP A 131 0.192 11.964 -9.012 1.00 0.00 O ATOM 808 OD2 ASP A 131 -0.268 10.741 -7.298 1.00 0.00 O ATOM 0 H ASP A 131 2.512 9.074 -8.195 1.00 0.00 H new ATOM 0 HA ASP A 131 2.810 11.736 -9.386 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.048 11.019 -6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.089 12.636 -7.211 1.00 0.00 H new ATOM 813 N GLY A 132 5.014 10.127 -7.765 1.00 0.00 N ATOM 814 CA GLY A 132 6.345 10.010 -7.186 1.00 0.00 C ATOM 815 C GLY A 132 6.395 10.453 -5.724 1.00 0.00 C ATOM 816 O GLY A 132 7.443 10.393 -5.084 1.00 0.00 O ATOM 0 H GLY A 132 4.643 9.243 -8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.678 8.975 -7.259 1.00 0.00 H new ATOM 0 HA3 GLY A 132 7.044 10.612 -7.767 1.00 0.00 H new ATOM 820 N ASP A 133 5.264 10.910 -5.215 1.00 0.00 N ATOM 821 CA ASP A 133 5.190 11.377 -3.834 1.00 0.00 C ATOM 822 C ASP A 133 5.880 10.398 -2.882 1.00 0.00 C ATOM 823 O ASP A 133 6.328 10.783 -1.800 1.00 0.00 O ATOM 824 CB ASP A 133 3.727 11.553 -3.432 1.00 0.00 C ATOM 825 CG ASP A 133 2.982 10.231 -3.584 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.581 9.287 -4.073 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.822 10.182 -3.209 1.00 0.00 O ATOM 0 H ASP A 133 4.386 10.969 -5.731 1.00 0.00 H new ATOM 0 HA ASP A 133 5.707 12.334 -3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.664 11.899 -2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.260 12.317 -4.054 1.00 0.00 H new ATOM 832 N GLY A 134 5.963 9.134 -3.288 1.00 0.00 N ATOM 833 CA GLY A 134 6.598 8.104 -2.465 1.00 0.00 C ATOM 834 C GLY A 134 5.562 7.389 -1.613 1.00 0.00 C ATOM 835 O GLY A 134 5.888 6.500 -0.825 1.00 0.00 O ATOM 0 H GLY A 134 5.600 8.797 -4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.111 7.385 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.354 8.557 -1.824 1.00 0.00 H new ATOM 839 N GLN A 135 4.305 7.779 -1.792 1.00 0.00 N ATOM 840 CA GLN A 135 3.195 7.177 -1.057 1.00 0.00 C ATOM 841 C GLN A 135 2.038 6.911 -1.997 1.00 0.00 C ATOM 842 O GLN A 135 1.870 7.603 -3.001 1.00 0.00 O ATOM 843 CB GLN A 135 2.719 8.114 0.054 1.00 0.00 C ATOM 844 CG GLN A 135 3.721 8.118 1.197 1.00 0.00 C ATOM 845 CD GLN A 135 3.331 9.161 2.237 1.00 0.00 C ATOM 846 OE1 GLN A 135 2.265 9.769 2.140 1.00 0.00 O ATOM 847 NE2 GLN A 135 4.141 9.412 3.230 1.00 0.00 N ATOM 0 H GLN A 135 4.027 8.513 -2.443 1.00 0.00 H new ATOM 0 HA GLN A 135 3.543 6.241 -0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.598 9.124 -0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 135 1.742 7.794 0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.761 7.131 1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.719 8.331 0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 135 5.024 8.907 3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.891 10.113 3.927 1.00 0.00 H new ATOM 856 N ILE A 136 1.231 5.914 -1.660 1.00 0.00 N ATOM 857 CA ILE A 136 0.074 5.568 -2.469 1.00 0.00 C ATOM 858 C ILE A 136 -1.180 5.950 -1.714 1.00 0.00 C ATOM 859 O ILE A 136 -1.442 5.438 -0.625 1.00 0.00 O ATOM 860 CB ILE A 136 0.070 4.062 -2.776 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.394 3.666 -3.476 1.00 0.00 C ATOM 862 CG2 ILE A 136 -1.108 3.740 -3.700 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.465 3.292 -2.440 1.00 0.00 C ATOM 0 H ILE A 136 1.358 5.332 -0.832 1.00 0.00 H new ATOM 0 HA ILE A 136 0.113 6.109 -3.415 1.00 0.00 H new ATOM 0 HB ILE A 136 -0.026 3.503 -1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 136 1.219 2.824 -4.146 1.00 0.00 H new ATOM 0 HG13 ILE A 136 1.748 4.494 -4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -1.116 2.673 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -2.041 4.016 -3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -1.007 4.302 -4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.387 3.017 -2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 136 2.653 4.144 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.116 2.449 -1.844 1.00 0.00 H new ATOM 875 N ASN A 137 -1.966 6.839 -2.300 1.00 0.00 N ATOM 876 CA ASN A 137 -3.206 7.262 -1.673 1.00 0.00 C ATOM 877 C ASN A 137 -4.253 6.189 -1.949 1.00 0.00 C ATOM 878 O ASN A 137 -4.021 5.296 -2.765 1.00 0.00 O ATOM 879 CB ASN A 137 -3.645 8.650 -2.214 1.00 0.00 C ATOM 880 CG ASN A 137 -2.646 9.164 -3.252 1.00 0.00 C ATOM 881 OD1 ASN A 137 -1.437 9.137 -3.018 1.00 0.00 O ATOM 882 ND2 ASN A 137 -3.081 9.632 -4.390 1.00 0.00 N ATOM 0 H ASN A 137 -1.770 7.277 -3.200 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.076 7.376 -0.597 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.636 8.575 -2.661 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.720 9.360 -1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -2.420 9.976 -5.086 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.082 9.654 -4.583 1.00 0.00 H new ATOM 889 N TYR A 138 -5.386 6.253 -1.273 1.00 0.00 N ATOM 890 CA TYR A 138 -6.408 5.240 -1.484 1.00 0.00 C ATOM 891 C TYR A 138 -6.737 5.096 -2.969 1.00 0.00 C ATOM 892 O TYR A 138 -6.479 4.053 -3.567 1.00 0.00 O ATOM 893 CB TYR A 138 -7.677 5.589 -0.711 1.00 0.00 C ATOM 894 CG TYR A 138 -8.710 4.532 -1.001 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.512 3.233 -0.532 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.846 4.837 -1.758 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.447 2.236 -0.810 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.784 3.838 -2.042 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.585 2.536 -1.566 1.00 0.00 C ATOM 900 OH TYR A 138 -11.508 1.550 -1.845 1.00 0.00 O ATOM 0 H TYR A 138 -5.620 6.974 -0.591 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.015 4.291 -1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.470 5.635 0.358 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -8.045 6.571 -1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.632 2.999 0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.999 5.842 -2.123 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.292 1.233 -0.442 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.661 4.071 -2.628 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.130 1.869 -2.532 1.00 0.00 H new ATOM 910 N GLU A 139 -7.308 6.144 -3.553 1.00 0.00 N ATOM 911 CA GLU A 139 -7.679 6.114 -4.967 1.00 0.00 C ATOM 912 C GLU A 139 -6.584 5.464 -5.807 1.00 0.00 C ATOM 913 O GLU A 139 -6.862 4.626 -6.663 1.00 0.00 O ATOM 914 CB GLU A 139 -7.952 7.537 -5.463 1.00 0.00 C ATOM 915 CG GLU A 139 -6.656 8.353 -5.442 1.00 0.00 C ATOM 916 CD GLU A 139 -6.973 9.832 -5.627 1.00 0.00 C ATOM 917 OE1 GLU A 139 -7.962 10.279 -5.071 1.00 0.00 O ATOM 918 OE2 GLU A 139 -6.222 10.495 -6.322 1.00 0.00 O ATOM 0 H GLU A 139 -7.524 7.019 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.584 5.516 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -8.357 7.508 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.703 8.014 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -6.134 8.199 -4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.989 8.013 -6.234 1.00 0.00 H new ATOM 925 N GLU A 140 -5.343 5.854 -5.562 1.00 0.00 N ATOM 926 CA GLU A 140 -4.226 5.295 -6.308 1.00 0.00 C ATOM 927 C GLU A 140 -4.054 3.820 -5.953 1.00 0.00 C ATOM 928 O GLU A 140 -3.744 2.993 -6.813 1.00 0.00 O ATOM 929 CB GLU A 140 -2.958 6.069 -5.972 1.00 0.00 C ATOM 930 CG GLU A 140 -1.830 5.664 -6.921 1.00 0.00 C ATOM 931 CD GLU A 140 -0.572 6.444 -6.571 1.00 0.00 C ATOM 932 OE1 GLU A 140 -0.535 7.005 -5.490 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.331 6.475 -7.390 1.00 0.00 O ATOM 0 H GLU A 140 -5.085 6.548 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.422 5.377 -7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.144 7.140 -6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.665 5.872 -4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.641 4.593 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.119 5.862 -7.953 1.00 0.00 H new ATOM 940 N PHE A 141 -4.286 3.498 -4.682 1.00 0.00 N ATOM 941 CA PHE A 141 -4.180 2.118 -4.222 1.00 0.00 C ATOM 942 C PHE A 141 -5.217 1.278 -4.957 1.00 0.00 C ATOM 943 O PHE A 141 -4.977 0.124 -5.310 1.00 0.00 O ATOM 944 CB PHE A 141 -4.416 2.028 -2.709 1.00 0.00 C ATOM 945 CG PHE A 141 -4.003 0.656 -2.210 1.00 0.00 C ATOM 946 CD1 PHE A 141 -2.650 0.299 -2.213 1.00 0.00 C ATOM 947 CD2 PHE A 141 -4.963 -0.258 -1.746 1.00 0.00 C ATOM 948 CE1 PHE A 141 -2.254 -0.961 -1.757 1.00 0.00 C ATOM 949 CE2 PHE A 141 -4.566 -1.517 -1.290 1.00 0.00 C ATOM 950 CZ PHE A 141 -3.211 -1.869 -1.297 1.00 0.00 C ATOM 0 H PHE A 141 -4.546 4.169 -3.959 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.177 1.746 -4.430 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.844 2.800 -2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.467 2.207 -2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -1.909 1.000 -2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.009 0.013 -1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.209 -1.233 -1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.304 -2.219 -0.932 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.905 -2.844 -0.946 1.00 0.00 H new ATOM 960 N VAL A 142 -6.374 1.886 -5.180 1.00 0.00 N ATOM 961 CA VAL A 142 -7.463 1.225 -5.879 1.00 0.00 C ATOM 962 C VAL A 142 -7.069 0.970 -7.336 1.00 0.00 C ATOM 963 O VAL A 142 -7.370 -0.085 -7.894 1.00 0.00 O ATOM 964 CB VAL A 142 -8.729 2.094 -5.814 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.870 1.401 -6.560 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.129 2.325 -4.344 1.00 0.00 C ATOM 0 H VAL A 142 -6.581 2.840 -4.885 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.668 0.268 -5.399 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.527 3.057 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.766 2.020 -6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.587 1.254 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.072 0.434 -6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -10.027 2.942 -4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.326 1.366 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.318 2.831 -3.821 1.00 0.00 H new ATOM 976 N LYS A 143 -6.408 1.953 -7.949 1.00 0.00 N ATOM 977 CA LYS A 143 -5.985 1.849 -9.346 1.00 0.00 C ATOM 978 C LYS A 143 -5.028 0.666 -9.560 1.00 0.00 C ATOM 979 O LYS A 143 -5.222 -0.137 -10.471 1.00 0.00 O ATOM 980 CB LYS A 143 -5.280 3.163 -9.744 1.00 0.00 C ATOM 981 CG LYS A 143 -5.307 3.384 -11.270 1.00 0.00 C ATOM 982 CD LYS A 143 -4.307 2.458 -11.976 1.00 0.00 C ATOM 983 CE LYS A 143 -4.041 2.964 -13.401 1.00 0.00 C ATOM 984 NZ LYS A 143 -3.007 4.038 -13.361 1.00 0.00 N ATOM 0 H LYS A 143 -6.154 2.832 -7.499 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.865 1.679 -9.967 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -5.766 4.002 -9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.247 3.141 -9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -6.311 3.199 -11.650 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -5.068 4.423 -11.495 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -3.374 2.421 -11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -4.700 1.442 -12.009 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -3.704 2.143 -14.033 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -4.962 3.347 -13.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -2.826 4.382 -14.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -3.346 4.825 -12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -2.127 3.658 -12.958 1.00 0.00 H new ATOM 998 N VAL A 144 -4.005 0.553 -8.712 1.00 0.00 N ATOM 999 CA VAL A 144 -3.043 -0.541 -8.835 1.00 0.00 C ATOM 1000 C VAL A 144 -3.635 -1.874 -8.381 1.00 0.00 C ATOM 1001 O VAL A 144 -3.381 -2.915 -8.987 1.00 0.00 O ATOM 1002 CB VAL A 144 -1.803 -0.221 -8.001 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -1.156 1.063 -8.529 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -2.213 -0.022 -6.541 1.00 0.00 C ATOM 0 H VAL A 144 -3.823 1.197 -7.942 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.777 -0.638 -9.888 1.00 0.00 H new ATOM 0 HB VAL A 144 -1.091 -1.043 -8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.271 1.295 -7.936 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -0.869 0.924 -9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -1.867 1.886 -8.456 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -1.331 0.206 -5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -2.922 0.803 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -2.679 -0.933 -6.166 1.00 0.00 H new ATOM 1014 N MET A 145 -4.415 -1.837 -7.306 1.00 0.00 N ATOM 1015 CA MET A 145 -5.023 -3.055 -6.775 1.00 0.00 C ATOM 1016 C MET A 145 -6.099 -3.573 -7.717 1.00 0.00 C ATOM 1017 O MET A 145 -6.172 -4.767 -8.005 1.00 0.00 O ATOM 1018 CB MET A 145 -5.634 -2.775 -5.400 1.00 0.00 C ATOM 1019 CG MET A 145 -6.199 -4.067 -4.792 1.00 0.00 C ATOM 1020 SD MET A 145 -4.865 -5.266 -4.539 1.00 0.00 S ATOM 1021 CE MET A 145 -4.364 -4.704 -2.896 1.00 0.00 C ATOM 0 H MET A 145 -4.640 -0.987 -6.789 1.00 0.00 H new ATOM 0 HA MET A 145 -4.247 -3.815 -6.680 1.00 0.00 H new ATOM 0 HB2 MET A 145 -4.877 -2.354 -4.738 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.426 -2.032 -5.492 1.00 0.00 H new ATOM 0 HG2 MET A 145 -6.688 -3.849 -3.843 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.958 -4.488 -5.452 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.421 -4.163 -2.969 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.130 -4.045 -2.488 1.00 0.00 H new ATOM 0 HE3 MET A 145 -4.239 -5.565 -2.239 1.00 0.00 H new ATOM 1031 N MET A 146 -6.927 -2.660 -8.194 1.00 0.00 N ATOM 1032 CA MET A 146 -8.003 -3.022 -9.112 1.00 0.00 C ATOM 1033 C MET A 146 -7.433 -3.476 -10.455 1.00 0.00 C ATOM 1034 O MET A 146 -7.936 -4.420 -11.066 1.00 0.00 O ATOM 1035 CB MET A 146 -8.945 -1.836 -9.325 1.00 0.00 C ATOM 1036 CG MET A 146 -10.100 -2.256 -10.238 1.00 0.00 C ATOM 1037 SD MET A 146 -11.300 -0.907 -10.354 1.00 0.00 S ATOM 1038 CE MET A 146 -10.239 0.278 -11.215 1.00 0.00 C ATOM 0 H MET A 146 -6.879 -1.667 -7.965 1.00 0.00 H new ATOM 0 HA MET A 146 -8.564 -3.846 -8.670 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.333 -1.490 -8.367 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.402 -1.002 -9.769 1.00 0.00 H new ATOM 0 HG2 MET A 146 -9.721 -2.506 -11.229 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.581 -3.152 -9.845 1.00 0.00 H new ATOM 0 HE1 MET A 146 -10.802 0.754 -12.018 1.00 0.00 H new ATOM 0 HE2 MET A 146 -9.896 1.037 -10.512 1.00 0.00 H new ATOM 0 HE3 MET A 146 -9.378 -0.242 -11.635 1.00 0.00 H new