USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 528 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 25 LYS NZ :NH3+ -147:sc= -0.913! (180deg=-1.59!) USER MOD Set 1.2: A 71 MET CE :methyl -107:sc= -0.616 (180deg=-0.758) USER MOD Single : A 1 MET CE :methyl 147:sc= -1.24 (180deg=-4.44!) USER MOD Single : A 1 MET N :NH3+ 147:sc= 1.1 (180deg=0.439) USER MOD Single : A 2 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.16) USER MOD Single : A 8 GLN : amide:sc= 0.0715 X(o=0.072,f=-0.16) USER MOD Single : A 11 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.43) USER MOD Single : A 12 THR OG1 : rot -106:sc= 0.672 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 23 GLN : amide:sc= -0.0814 X(o=-0.081,f=-0.27) USER MOD Single : A 27 HIS : no HE2:sc= -0.185 K(o=-0.19,f=-1.6) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -4.49! C(o=-4.5!,f=-5.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.234 USER MOD Single : A 56 GLN : amide:sc= -0.008 X(o=-0.008,f=-0.24) USER MOD Single : A 57 CYS SG : rot 14:sc= -1.89! USER MOD Single : A 63 THR OG1 : rot 113:sc= 0.484 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.089 -0.250 -0.238 1.00 0.00 N ATOM 2 CA MET A 1 2.162 0.012 -1.220 1.00 0.00 C ATOM 3 C MET A 1 3.122 -1.189 -1.250 1.00 0.00 C ATOM 4 O MET A 1 3.967 -1.346 -0.370 1.00 0.00 O ATOM 5 CB MET A 1 2.894 1.329 -0.859 1.00 0.00 C ATOM 6 CG MET A 1 4.051 1.721 -1.785 1.00 0.00 C ATOM 7 SD MET A 1 4.896 3.199 -1.191 1.00 0.00 S ATOM 8 CE MET A 1 6.298 3.272 -2.287 1.00 0.00 C ATOM 0 H1 MET A 1 0.796 0.645 0.203 1.00 0.00 H new ATOM 0 H2 MET A 1 0.275 -0.681 -0.720 1.00 0.00 H new ATOM 0 H3 MET A 1 1.440 -0.899 0.495 1.00 0.00 H new ATOM 0 HA MET A 1 1.741 0.135 -2.218 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.165 2.139 -0.856 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.279 1.242 0.157 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.761 0.896 -1.852 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.670 1.897 -2.791 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.562 4.313 -2.471 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.144 2.758 -1.831 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.047 2.789 -3.232 1.00 0.00 H new ATOM 18 N GLN A 2 2.934 -2.066 -2.240 1.00 0.00 N ATOM 19 CA GLN A 2 3.743 -3.283 -2.409 1.00 0.00 C ATOM 20 C GLN A 2 4.833 -3.058 -3.466 1.00 0.00 C ATOM 21 O GLN A 2 4.511 -2.832 -4.633 1.00 0.00 O ATOM 22 CB GLN A 2 2.821 -4.456 -2.848 1.00 0.00 C ATOM 23 CG GLN A 2 3.565 -5.766 -3.161 1.00 0.00 C ATOM 24 CD GLN A 2 2.675 -6.865 -3.736 1.00 0.00 C ATOM 25 OE1 GLN A 2 1.495 -6.967 -3.415 1.00 0.00 O ATOM 26 NE2 GLN A 2 3.239 -7.691 -4.599 1.00 0.00 N ATOM 0 H GLN A 2 2.213 -1.954 -2.953 1.00 0.00 H new ATOM 0 HA GLN A 2 4.222 -3.526 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.093 -4.645 -2.059 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.261 -4.151 -3.732 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.367 -5.556 -3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.033 -6.133 -2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.223 -7.579 -4.844 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.691 -8.441 -5.020 1.00 0.00 H new ATOM 35 N LEU A 3 6.117 -3.144 -3.077 1.00 0.00 N ATOM 36 CA LEU A 3 7.234 -3.049 -4.041 1.00 0.00 C ATOM 37 C LEU A 3 8.244 -4.190 -3.843 1.00 0.00 C ATOM 38 O LEU A 3 8.374 -4.758 -2.759 1.00 0.00 O ATOM 39 CB LEU A 3 7.905 -1.630 -4.006 1.00 0.00 C ATOM 40 CG LEU A 3 8.461 -1.075 -2.636 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.774 -1.762 -2.187 1.00 0.00 C ATOM 42 CD2 LEU A 3 8.664 0.453 -2.721 1.00 0.00 C ATOM 0 H LEU A 3 6.409 -3.278 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 3 6.823 -3.170 -5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.732 -1.640 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.174 -0.912 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 3 7.711 -1.308 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.102 -1.335 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.601 -2.831 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.544 -1.604 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.048 0.823 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.377 0.682 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.711 0.935 -2.940 1.00 0.00 H new ATOM 54 N PHE A 4 8.949 -4.508 -4.926 1.00 0.00 N ATOM 55 CA PHE A 4 10.001 -5.527 -4.970 1.00 0.00 C ATOM 56 C PHE A 4 11.343 -4.858 -4.644 1.00 0.00 C ATOM 57 O PHE A 4 11.560 -3.694 -4.992 1.00 0.00 O ATOM 58 CB PHE A 4 10.042 -6.174 -6.389 1.00 0.00 C ATOM 59 CG PHE A 4 8.669 -6.644 -6.889 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.829 -5.781 -7.609 1.00 0.00 C ATOM 61 CD2 PHE A 4 8.214 -7.933 -6.633 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.583 -6.195 -8.037 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.963 -8.342 -7.061 1.00 0.00 C ATOM 64 CZ PHE A 4 6.153 -7.480 -7.769 1.00 0.00 C ATOM 0 H PHE A 4 8.801 -4.051 -5.826 1.00 0.00 H new ATOM 0 HA PHE A 4 9.801 -6.311 -4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.450 -5.452 -7.097 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.724 -7.024 -6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.162 -4.778 -7.832 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.845 -8.624 -6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.945 -5.514 -8.581 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.620 -9.342 -6.839 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.184 -7.809 -8.114 1.00 0.00 H new ATOM 74 N VAL A 5 12.213 -5.584 -3.940 1.00 0.00 N ATOM 75 CA VAL A 5 13.583 -5.155 -3.629 1.00 0.00 C ATOM 76 C VAL A 5 14.550 -6.225 -4.164 1.00 0.00 C ATOM 77 O VAL A 5 14.546 -7.379 -3.699 1.00 0.00 O ATOM 78 CB VAL A 5 13.790 -4.902 -2.083 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.272 -4.648 -1.726 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.913 -3.718 -1.603 1.00 0.00 C ATOM 0 H VAL A 5 11.984 -6.503 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 5 13.783 -4.199 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 5 13.480 -5.810 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.364 -4.479 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.868 -5.515 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.630 -3.770 -2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.069 -3.559 -0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.189 -2.816 -2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.863 -3.945 -1.786 1.00 0.00 H new ATOM 90 N ARG A 6 15.345 -5.825 -5.173 1.00 0.00 N ATOM 91 CA ARG A 6 16.215 -6.722 -5.928 1.00 0.00 C ATOM 92 C ARG A 6 17.562 -6.896 -5.211 1.00 0.00 C ATOM 93 O ARG A 6 18.476 -6.083 -5.356 1.00 0.00 O ATOM 94 CB ARG A 6 16.416 -6.176 -7.373 1.00 0.00 C ATOM 95 CG ARG A 6 17.147 -7.142 -8.338 1.00 0.00 C ATOM 96 CD ARG A 6 16.355 -8.438 -8.573 1.00 0.00 C ATOM 97 NE ARG A 6 17.060 -9.377 -9.458 1.00 0.00 N ATOM 98 CZ ARG A 6 16.495 -10.434 -10.065 1.00 0.00 C ATOM 99 NH1 ARG A 6 15.177 -10.623 -10.028 1.00 0.00 N ATOM 100 NH2 ARG A 6 17.255 -11.278 -10.741 1.00 0.00 N ATOM 0 H ARG A 6 15.396 -4.855 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 6 15.743 -7.702 -5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.440 -5.935 -7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.979 -5.244 -7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 6 17.314 -6.642 -9.292 1.00 0.00 H new ATOM 0 HG3 ARG A 6 18.128 -7.387 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.163 -8.921 -7.615 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.385 -8.194 -9.007 1.00 0.00 H new ATOM 0 HE ARG A 6 18.053 -9.214 -9.624 1.00 0.00 H new ATOM 0 HH11 ARG A 6 14.580 -9.960 -9.533 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.764 -11.431 -10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.262 -11.124 -10.799 1.00 0.00 H new ATOM 0 HH22 ARG A 6 16.835 -12.083 -11.205 1.00 0.00 H new ATOM 114 N ALA A 7 17.636 -7.938 -4.392 1.00 0.00 N ATOM 115 CA ALA A 7 18.877 -8.417 -3.771 1.00 0.00 C ATOM 116 C ALA A 7 19.226 -9.782 -4.380 1.00 0.00 C ATOM 117 O ALA A 7 18.534 -10.243 -5.308 1.00 0.00 O ATOM 118 CB ALA A 7 18.711 -8.495 -2.238 1.00 0.00 C ATOM 0 H ALA A 7 16.819 -8.490 -4.131 1.00 0.00 H new ATOM 0 HA ALA A 7 19.696 -7.725 -3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.638 -8.852 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.476 -7.505 -1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.902 -9.183 -1.994 1.00 0.00 H new ATOM 124 N GLN A 8 20.337 -10.386 -3.904 1.00 0.00 N ATOM 125 CA GLN A 8 20.679 -11.809 -4.173 1.00 0.00 C ATOM 126 C GLN A 8 19.440 -12.736 -3.981 1.00 0.00 C ATOM 127 O GLN A 8 19.255 -13.713 -4.713 1.00 0.00 O ATOM 128 CB GLN A 8 21.854 -12.253 -3.256 1.00 0.00 C ATOM 129 CG GLN A 8 21.644 -11.931 -1.762 1.00 0.00 C ATOM 130 CD GLN A 8 22.710 -12.496 -0.824 1.00 0.00 C ATOM 131 OE1 GLN A 8 23.867 -12.688 -1.196 1.00 0.00 O ATOM 132 NE2 GLN A 8 22.324 -12.733 0.420 1.00 0.00 N ATOM 0 H GLN A 8 21.024 -9.906 -3.323 1.00 0.00 H new ATOM 0 HA GLN A 8 20.992 -11.898 -5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.002 -13.327 -3.368 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.769 -11.768 -3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.611 -10.848 -1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 8 20.671 -12.316 -1.456 1.00 0.00 H new ATOM 0 HE21 GLN A 8 21.357 -12.563 0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 8 22.994 -13.086 1.103 1.00 0.00 H new ATOM 141 N GLU A 9 18.592 -12.385 -2.997 1.00 0.00 N ATOM 142 CA GLU A 9 17.248 -12.954 -2.824 1.00 0.00 C ATOM 143 C GLU A 9 16.208 -11.854 -3.126 1.00 0.00 C ATOM 144 O GLU A 9 16.297 -10.752 -2.560 1.00 0.00 O ATOM 145 CB GLU A 9 17.082 -13.458 -1.368 1.00 0.00 C ATOM 146 CG GLU A 9 18.141 -14.481 -0.906 1.00 0.00 C ATOM 147 CD GLU A 9 18.089 -15.827 -1.649 1.00 0.00 C ATOM 148 OE1 GLU A 9 17.178 -16.633 -1.361 1.00 0.00 O ATOM 149 OE2 GLU A 9 18.956 -16.094 -2.509 1.00 0.00 O ATOM 0 H GLU A 9 18.827 -11.688 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 9 17.103 -13.794 -3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.111 -12.600 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.095 -13.909 -1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.131 -14.045 -1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.012 -14.663 0.161 1.00 0.00 H new ATOM 156 N LEU A 10 15.244 -12.134 -4.023 1.00 0.00 N ATOM 157 CA LEU A 10 14.161 -11.174 -4.342 1.00 0.00 C ATOM 158 C LEU A 10 13.143 -11.183 -3.179 1.00 0.00 C ATOM 159 O LEU A 10 12.515 -12.214 -2.904 1.00 0.00 O ATOM 160 CB LEU A 10 13.491 -11.525 -5.723 1.00 0.00 C ATOM 161 CG LEU A 10 12.483 -10.478 -6.359 1.00 0.00 C ATOM 162 CD1 LEU A 10 11.086 -10.468 -5.684 1.00 0.00 C ATOM 163 CD2 LEU A 10 13.095 -9.057 -6.387 1.00 0.00 C ATOM 0 H LEU A 10 15.189 -13.012 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 10 14.567 -10.168 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.289 -11.698 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.958 -12.469 -5.604 1.00 0.00 H new ATOM 0 HG LEU A 10 12.319 -10.810 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.452 -9.728 -6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.630 -11.454 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.193 -10.215 -4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.381 -8.362 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.328 -8.741 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.008 -9.066 -6.982 1.00 0.00 H new ATOM 175 N HIS A 11 13.018 -10.038 -2.486 1.00 0.00 N ATOM 176 CA HIS A 11 12.048 -9.848 -1.385 1.00 0.00 C ATOM 177 C HIS A 11 11.045 -8.756 -1.765 1.00 0.00 C ATOM 178 O HIS A 11 11.433 -7.691 -2.227 1.00 0.00 O ATOM 179 CB HIS A 11 12.776 -9.467 -0.068 1.00 0.00 C ATOM 180 CG HIS A 11 13.559 -10.592 0.546 1.00 0.00 C ATOM 181 ND1 HIS A 11 13.025 -11.454 1.479 1.00 0.00 N ATOM 182 CD2 HIS A 11 14.829 -11.008 0.346 1.00 0.00 C ATOM 183 CE1 HIS A 11 13.934 -12.344 1.823 1.00 0.00 C ATOM 184 NE2 HIS A 11 15.035 -12.097 1.148 1.00 0.00 N ATOM 0 H HIS A 11 13.588 -9.213 -2.672 1.00 0.00 H new ATOM 0 HA HIS A 11 11.518 -10.786 -1.222 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.451 -8.634 -0.266 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.039 -9.115 0.654 1.00 0.00 H new ATOM 0 HD2 HIS A 11 15.549 -10.562 -0.324 1.00 0.00 H new ATOM 0 HE1 HIS A 11 13.798 -13.141 2.538 1.00 0.00 H new ATOM 0 HE2 HIS A 11 15.902 -12.631 1.212 1.00 0.00 H new ATOM 193 N THR A 12 9.753 -9.036 -1.579 1.00 0.00 N ATOM 194 CA THR A 12 8.676 -8.083 -1.852 1.00 0.00 C ATOM 195 C THR A 12 8.127 -7.550 -0.517 1.00 0.00 C ATOM 196 O THR A 12 7.637 -8.326 0.314 1.00 0.00 O ATOM 197 CB THR A 12 7.553 -8.765 -2.688 1.00 0.00 C ATOM 198 OG1 THR A 12 8.150 -9.439 -3.809 1.00 0.00 O ATOM 199 CG2 THR A 12 6.520 -7.752 -3.206 1.00 0.00 C ATOM 0 H THR A 12 9.423 -9.937 -1.232 1.00 0.00 H new ATOM 0 HA THR A 12 9.061 -7.246 -2.435 1.00 0.00 H new ATOM 0 HB THR A 12 7.033 -9.469 -2.038 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.972 -8.931 -4.628 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.757 -8.274 -3.783 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.053 -7.245 -2.362 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.017 -7.018 -3.841 1.00 0.00 H new ATOM 207 N PHE A 13 8.241 -6.231 -0.315 1.00 0.00 N ATOM 208 CA PHE A 13 7.870 -5.554 0.934 1.00 0.00 C ATOM 209 C PHE A 13 6.518 -4.835 0.794 1.00 0.00 C ATOM 210 O PHE A 13 6.200 -4.260 -0.260 1.00 0.00 O ATOM 211 CB PHE A 13 8.967 -4.527 1.340 1.00 0.00 C ATOM 212 CG PHE A 13 10.292 -5.146 1.797 1.00 0.00 C ATOM 213 CD1 PHE A 13 11.241 -5.575 0.877 1.00 0.00 C ATOM 214 CD2 PHE A 13 10.591 -5.276 3.156 1.00 0.00 C ATOM 215 CE1 PHE A 13 12.448 -6.102 1.294 1.00 0.00 C ATOM 216 CE2 PHE A 13 11.794 -5.808 3.572 1.00 0.00 C ATOM 217 CZ PHE A 13 12.724 -6.220 2.640 1.00 0.00 C ATOM 0 H PHE A 13 8.599 -5.594 -1.027 1.00 0.00 H new ATOM 0 HA PHE A 13 7.781 -6.314 1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.162 -3.871 0.491 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.579 -3.901 2.143 1.00 0.00 H new ATOM 0 HD1 PHE A 13 11.032 -5.495 -0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.869 -4.955 3.892 1.00 0.00 H new ATOM 0 HE1 PHE A 13 13.177 -6.422 0.564 1.00 0.00 H new ATOM 0 HE2 PHE A 13 12.008 -5.902 4.627 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.667 -6.634 2.964 1.00 0.00 H new ATOM 227 N GLU A 14 5.719 -4.910 1.875 1.00 0.00 N ATOM 228 CA GLU A 14 4.546 -4.053 2.082 1.00 0.00 C ATOM 229 C GLU A 14 4.987 -2.853 2.937 1.00 0.00 C ATOM 230 O GLU A 14 5.224 -2.988 4.145 1.00 0.00 O ATOM 231 CB GLU A 14 3.394 -4.847 2.775 1.00 0.00 C ATOM 232 CG GLU A 14 2.159 -4.004 3.187 1.00 0.00 C ATOM 233 CD GLU A 14 1.522 -3.228 2.020 1.00 0.00 C ATOM 234 OE1 GLU A 14 0.787 -3.840 1.216 1.00 0.00 O ATOM 235 OE2 GLU A 14 1.742 -2.002 1.908 1.00 0.00 O ATOM 0 H GLU A 14 5.875 -5.574 2.633 1.00 0.00 H new ATOM 0 HA GLU A 14 4.158 -3.705 1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.064 -5.638 2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.794 -5.333 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.410 -4.663 3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.455 -3.298 3.963 1.00 0.00 H new ATOM 242 N VAL A 15 5.131 -1.695 2.287 1.00 0.00 N ATOM 243 CA VAL A 15 5.597 -0.447 2.915 1.00 0.00 C ATOM 244 C VAL A 15 4.474 0.598 2.927 1.00 0.00 C ATOM 245 O VAL A 15 3.478 0.472 2.208 1.00 0.00 O ATOM 246 CB VAL A 15 6.872 0.117 2.186 1.00 0.00 C ATOM 247 CG1 VAL A 15 8.076 -0.843 2.353 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.590 0.400 0.687 1.00 0.00 C ATOM 0 H VAL A 15 4.925 -1.592 1.293 1.00 0.00 H new ATOM 0 HA VAL A 15 5.875 -0.672 3.945 1.00 0.00 H new ATOM 0 HB VAL A 15 7.128 1.066 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.945 -0.430 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.303 -0.961 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.829 -1.814 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.492 0.788 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.290 -0.524 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.789 1.135 0.600 1.00 0.00 H new ATOM 258 N THR A 16 4.650 1.632 3.757 1.00 0.00 N ATOM 259 CA THR A 16 3.630 2.675 3.986 1.00 0.00 C ATOM 260 C THR A 16 3.932 3.956 3.165 1.00 0.00 C ATOM 261 O THR A 16 3.137 4.910 3.160 1.00 0.00 O ATOM 262 CB THR A 16 3.555 2.980 5.526 1.00 0.00 C ATOM 263 OG1 THR A 16 3.478 1.744 6.252 1.00 0.00 O ATOM 264 CG2 THR A 16 2.343 3.847 5.923 1.00 0.00 C ATOM 0 H THR A 16 5.506 1.774 4.294 1.00 0.00 H new ATOM 0 HA THR A 16 2.661 2.312 3.644 1.00 0.00 H new ATOM 0 HB THR A 16 4.456 3.541 5.773 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.433 1.931 7.213 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.355 4.018 6.999 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.394 4.804 5.403 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.422 3.333 5.647 1.00 0.00 H new ATOM 272 N GLY A 17 5.076 3.972 2.444 1.00 0.00 N ATOM 273 CA GLY A 17 5.504 5.151 1.675 1.00 0.00 C ATOM 274 C GLY A 17 6.318 6.128 2.520 1.00 0.00 C ATOM 275 O GLY A 17 7.361 6.622 2.085 1.00 0.00 O ATOM 0 H GLY A 17 5.715 3.180 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.100 4.829 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.627 5.661 1.277 1.00 0.00 H new ATOM 279 N GLN A 18 5.833 6.403 3.745 1.00 0.00 N ATOM 280 CA GLN A 18 6.531 7.267 4.721 1.00 0.00 C ATOM 281 C GLN A 18 7.867 6.654 5.187 1.00 0.00 C ATOM 282 O GLN A 18 8.680 7.339 5.808 1.00 0.00 O ATOM 283 CB GLN A 18 5.616 7.551 5.941 1.00 0.00 C ATOM 284 CG GLN A 18 5.233 6.303 6.758 1.00 0.00 C ATOM 285 CD GLN A 18 4.426 6.625 8.020 1.00 0.00 C ATOM 286 OE1 GLN A 18 3.194 6.660 7.992 1.00 0.00 O ATOM 287 NE2 GLN A 18 5.114 6.873 9.131 1.00 0.00 N ATOM 0 H GLN A 18 4.946 6.033 4.088 1.00 0.00 H new ATOM 0 HA GLN A 18 6.761 8.206 4.217 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.119 8.260 6.599 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.704 8.034 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.653 5.629 6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.141 5.771 7.042 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.133 6.835 9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.622 7.101 9.995 1.00 0.00 H new ATOM 296 N GLU A 19 8.072 5.358 4.903 1.00 0.00 N ATOM 297 CA GLU A 19 9.342 4.684 5.169 1.00 0.00 C ATOM 298 C GLU A 19 10.428 5.243 4.227 1.00 0.00 C ATOM 299 O GLU A 19 10.175 5.409 3.026 1.00 0.00 O ATOM 300 CB GLU A 19 9.191 3.149 5.000 1.00 0.00 C ATOM 301 CG GLU A 19 10.428 2.354 5.457 1.00 0.00 C ATOM 302 CD GLU A 19 10.247 0.830 5.416 1.00 0.00 C ATOM 303 OE1 GLU A 19 9.355 0.313 6.122 1.00 0.00 O ATOM 304 OE2 GLU A 19 11.010 0.140 4.709 1.00 0.00 O ATOM 0 H GLU A 19 7.363 4.755 4.485 1.00 0.00 H new ATOM 0 HA GLU A 19 9.641 4.874 6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.323 2.813 5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.992 2.925 3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.274 2.625 4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.682 2.651 6.475 1.00 0.00 H new ATOM 311 N THR A 20 11.607 5.575 4.779 1.00 0.00 N ATOM 312 CA THR A 20 12.726 6.103 3.989 1.00 0.00 C ATOM 313 C THR A 20 13.395 4.984 3.187 1.00 0.00 C ATOM 314 O THR A 20 13.235 3.793 3.488 1.00 0.00 O ATOM 315 CB THR A 20 13.801 6.819 4.879 1.00 0.00 C ATOM 316 OG1 THR A 20 14.350 5.898 5.833 1.00 0.00 O ATOM 317 CG2 THR A 20 13.228 8.041 5.616 1.00 0.00 C ATOM 0 H THR A 20 11.808 5.485 5.775 1.00 0.00 H new ATOM 0 HA THR A 20 12.305 6.844 3.309 1.00 0.00 H new ATOM 0 HB THR A 20 14.585 7.172 4.209 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.021 6.356 6.381 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.010 8.502 6.219 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.857 8.763 4.889 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.410 7.725 6.264 1.00 0.00 H new ATOM 325 N VAL A 21 14.157 5.384 2.165 1.00 0.00 N ATOM 326 CA VAL A 21 15.002 4.467 1.396 1.00 0.00 C ATOM 327 C VAL A 21 16.129 3.880 2.304 1.00 0.00 C ATOM 328 O VAL A 21 16.562 2.742 2.100 1.00 0.00 O ATOM 329 CB VAL A 21 15.574 5.205 0.128 1.00 0.00 C ATOM 330 CG1 VAL A 21 16.651 4.379 -0.596 1.00 0.00 C ATOM 331 CG2 VAL A 21 14.435 5.610 -0.844 1.00 0.00 C ATOM 0 H VAL A 21 14.205 6.352 1.848 1.00 0.00 H new ATOM 0 HA VAL A 21 14.407 3.625 1.043 1.00 0.00 H new ATOM 0 HB VAL A 21 16.059 6.114 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.012 4.932 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 21 17.481 4.187 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.224 3.431 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.859 6.118 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.902 4.718 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.743 6.280 -0.334 1.00 0.00 H new ATOM 341 N ALA A 22 16.549 4.653 3.337 1.00 0.00 N ATOM 342 CA ALA A 22 17.520 4.189 4.356 1.00 0.00 C ATOM 343 C ALA A 22 16.949 3.029 5.195 1.00 0.00 C ATOM 344 O ALA A 22 17.665 2.083 5.526 1.00 0.00 O ATOM 345 CB ALA A 22 17.936 5.348 5.277 1.00 0.00 C ATOM 0 H ALA A 22 16.226 5.609 3.485 1.00 0.00 H new ATOM 0 HA ALA A 22 18.399 3.823 3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.649 4.986 6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.398 6.137 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 22 17.056 5.744 5.784 1.00 0.00 H new ATOM 351 N GLN A 23 15.644 3.106 5.529 1.00 0.00 N ATOM 352 CA GLN A 23 14.958 2.033 6.276 1.00 0.00 C ATOM 353 C GLN A 23 14.712 0.812 5.373 1.00 0.00 C ATOM 354 O GLN A 23 14.806 -0.317 5.852 1.00 0.00 O ATOM 355 CB GLN A 23 13.642 2.536 6.917 1.00 0.00 C ATOM 356 CG GLN A 23 13.825 3.597 8.029 1.00 0.00 C ATOM 357 CD GLN A 23 14.668 3.129 9.229 1.00 0.00 C ATOM 358 OE1 GLN A 23 14.701 1.945 9.571 1.00 0.00 O ATOM 359 NE2 GLN A 23 15.344 4.060 9.886 1.00 0.00 N ATOM 0 H GLN A 23 15.046 3.898 5.294 1.00 0.00 H new ATOM 0 HA GLN A 23 15.613 1.723 7.091 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.011 2.956 6.134 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.108 1.682 7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.293 4.481 7.596 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.842 3.900 8.389 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.299 5.033 9.582 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.909 3.804 10.696 1.00 0.00 H new ATOM 368 N ILE A 24 14.429 1.057 4.069 1.00 0.00 N ATOM 369 CA ILE A 24 14.363 -0.005 3.027 1.00 0.00 C ATOM 370 C ILE A 24 15.663 -0.834 3.041 1.00 0.00 C ATOM 371 O ILE A 24 15.610 -2.075 3.067 1.00 0.00 O ATOM 372 CB ILE A 24 14.110 0.605 1.579 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.656 1.165 1.440 1.00 0.00 C ATOM 374 CG2 ILE A 24 14.419 -0.410 0.439 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.562 0.104 1.430 1.00 0.00 C ATOM 0 H ILE A 24 14.240 1.992 3.709 1.00 0.00 H new ATOM 0 HA ILE A 24 13.518 -0.653 3.260 1.00 0.00 H new ATOM 0 HB ILE A 24 14.810 1.433 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.467 1.854 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.591 1.743 0.518 1.00 0.00 H new ATOM 0 HG21 ILE A 24 14.229 0.059 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 24 15.464 -0.714 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.780 -1.286 0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.589 0.585 1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.720 -0.573 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.594 -0.460 2.362 1.00 0.00 H new ATOM 387 N LYS A 25 16.819 -0.120 3.055 1.00 0.00 N ATOM 388 CA LYS A 25 18.148 -0.740 3.192 1.00 0.00 C ATOM 389 C LYS A 25 18.232 -1.558 4.484 1.00 0.00 C ATOM 390 O LYS A 25 18.536 -2.736 4.446 1.00 0.00 O ATOM 391 CB LYS A 25 19.279 0.318 3.202 1.00 0.00 C ATOM 392 CG LYS A 25 19.412 1.160 1.925 1.00 0.00 C ATOM 393 CD LYS A 25 20.556 2.187 2.042 1.00 0.00 C ATOM 394 CE LYS A 25 20.665 3.108 0.827 1.00 0.00 C ATOM 395 NZ LYS A 25 21.786 4.075 0.976 1.00 0.00 N ATOM 0 H LYS A 25 16.848 0.896 2.972 1.00 0.00 H new ATOM 0 HA LYS A 25 18.282 -1.391 2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.115 0.991 4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.226 -0.191 3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.595 0.505 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.474 1.680 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.403 2.792 2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.499 1.657 2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.816 2.510 -0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.729 3.651 0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.536 4.971 0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.963 4.248 1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.643 3.683 0.536 1.00 0.00 H new ATOM 409 N ALA A 26 17.935 -0.899 5.609 1.00 0.00 N ATOM 410 CA ALA A 26 18.040 -1.496 6.955 1.00 0.00 C ATOM 411 C ALA A 26 17.271 -2.838 7.060 1.00 0.00 C ATOM 412 O ALA A 26 17.793 -3.813 7.604 1.00 0.00 O ATOM 413 CB ALA A 26 17.546 -0.494 8.006 1.00 0.00 C ATOM 0 H ALA A 26 17.613 0.069 5.617 1.00 0.00 H new ATOM 0 HA ALA A 26 19.090 -1.723 7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.625 -0.939 8.998 1.00 0.00 H new ATOM 0 HB2 ALA A 26 18.156 0.409 7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.506 -0.239 7.805 1.00 0.00 H new ATOM 419 N HIS A 27 16.060 -2.882 6.471 1.00 0.00 N ATOM 420 CA HIS A 27 15.172 -4.062 6.513 1.00 0.00 C ATOM 421 C HIS A 27 15.712 -5.214 5.645 1.00 0.00 C ATOM 422 O HIS A 27 15.778 -6.359 6.116 1.00 0.00 O ATOM 423 CB HIS A 27 13.724 -3.669 6.110 1.00 0.00 C ATOM 424 CG HIS A 27 13.072 -2.734 7.103 1.00 0.00 C ATOM 425 ND1 HIS A 27 12.480 -1.541 6.758 1.00 0.00 N ATOM 426 CD2 HIS A 27 12.958 -2.823 8.452 1.00 0.00 C ATOM 427 CE1 HIS A 27 12.041 -0.941 7.844 1.00 0.00 C ATOM 428 NE2 HIS A 27 12.318 -1.697 8.883 1.00 0.00 N ATOM 0 H HIS A 27 15.668 -2.097 5.950 1.00 0.00 H new ATOM 0 HA HIS A 27 15.148 -4.428 7.539 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.741 -3.195 5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.120 -4.572 6.017 1.00 0.00 H new ATOM 0 HD1 HIS A 27 12.395 -1.178 5.809 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.309 -3.635 9.071 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.537 0.014 7.876 1.00 0.00 H new ATOM 437 N VAL A 28 16.145 -4.912 4.398 1.00 0.00 N ATOM 438 CA VAL A 28 16.679 -5.958 3.488 1.00 0.00 C ATOM 439 C VAL A 28 18.054 -6.467 3.999 1.00 0.00 C ATOM 440 O VAL A 28 18.380 -7.639 3.846 1.00 0.00 O ATOM 441 CB VAL A 28 16.764 -5.473 1.985 1.00 0.00 C ATOM 442 CG1 VAL A 28 17.758 -4.307 1.793 1.00 0.00 C ATOM 443 CG2 VAL A 28 17.094 -6.656 1.035 1.00 0.00 C ATOM 0 H VAL A 28 16.137 -3.972 4.003 1.00 0.00 H new ATOM 0 HA VAL A 28 15.973 -6.789 3.499 1.00 0.00 H new ATOM 0 HB VAL A 28 15.779 -5.088 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 28 17.777 -4.014 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 28 17.445 -3.458 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 28 18.755 -4.625 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.146 -6.294 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 28 18.053 -7.091 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.315 -7.414 1.113 1.00 0.00 H new ATOM 453 N ALA A 29 18.809 -5.570 4.663 1.00 0.00 N ATOM 454 CA ALA A 29 20.119 -5.886 5.271 1.00 0.00 C ATOM 455 C ALA A 29 19.966 -6.834 6.463 1.00 0.00 C ATOM 456 O ALA A 29 20.815 -7.692 6.692 1.00 0.00 O ATOM 457 CB ALA A 29 20.827 -4.602 5.712 1.00 0.00 C ATOM 0 H ALA A 29 18.526 -4.599 4.794 1.00 0.00 H new ATOM 0 HA ALA A 29 20.724 -6.386 4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.790 -4.852 6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 29 20.984 -3.958 4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.212 -4.081 6.446 1.00 0.00 H new ATOM 463 N SER A 30 18.878 -6.638 7.226 1.00 0.00 N ATOM 464 CA SER A 30 18.514 -7.500 8.354 1.00 0.00 C ATOM 465 C SER A 30 18.205 -8.927 7.858 1.00 0.00 C ATOM 466 O SER A 30 18.615 -9.911 8.485 1.00 0.00 O ATOM 467 CB SER A 30 17.296 -6.888 9.084 1.00 0.00 C ATOM 468 OG SER A 30 16.945 -7.615 10.253 1.00 0.00 O ATOM 0 H SER A 30 18.224 -5.870 7.073 1.00 0.00 H new ATOM 0 HA SER A 30 19.348 -7.566 9.052 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.519 -5.856 9.354 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.444 -6.863 8.405 1.00 0.00 H new ATOM 0 HG SER A 30 16.172 -7.192 10.682 1.00 0.00 H new ATOM 474 N LEU A 31 17.483 -9.009 6.719 1.00 0.00 N ATOM 475 CA LEU A 31 17.083 -10.290 6.098 1.00 0.00 C ATOM 476 C LEU A 31 18.285 -11.056 5.512 1.00 0.00 C ATOM 477 O LEU A 31 18.436 -12.257 5.764 1.00 0.00 O ATOM 478 CB LEU A 31 16.014 -10.048 5.003 1.00 0.00 C ATOM 479 CG LEU A 31 14.692 -9.377 5.490 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.704 -9.185 4.326 1.00 0.00 C ATOM 481 CD2 LEU A 31 14.044 -10.171 6.653 1.00 0.00 C ATOM 0 H LEU A 31 17.161 -8.189 6.205 1.00 0.00 H new ATOM 0 HA LEU A 31 16.657 -10.911 6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.452 -9.424 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.767 -11.005 4.543 1.00 0.00 H new ATOM 0 HG LEU A 31 14.949 -8.390 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.793 -8.715 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.157 -8.549 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.462 -10.155 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.126 -9.674 6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.813 -11.183 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.737 -10.216 7.493 1.00 0.00 H new ATOM 493 N GLU A 32 19.126 -10.355 4.725 1.00 0.00 N ATOM 494 CA GLU A 32 20.297 -10.964 4.049 1.00 0.00 C ATOM 495 C GLU A 32 21.463 -11.163 5.036 1.00 0.00 C ATOM 496 O GLU A 32 22.378 -11.953 4.780 1.00 0.00 O ATOM 497 CB GLU A 32 20.765 -10.093 2.843 1.00 0.00 C ATOM 498 CG GLU A 32 19.664 -9.714 1.828 1.00 0.00 C ATOM 499 CD GLU A 32 18.834 -10.911 1.338 1.00 0.00 C ATOM 500 OE1 GLU A 32 19.311 -11.650 0.462 1.00 0.00 O ATOM 501 OE2 GLU A 32 17.709 -11.120 1.842 1.00 0.00 O ATOM 0 H GLU A 32 19.017 -9.358 4.539 1.00 0.00 H new ATOM 0 HA GLU A 32 19.987 -11.939 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.209 -9.176 3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.553 -10.629 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.997 -8.984 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.126 -9.228 0.969 1.00 0.00 H new ATOM 508 N GLY A 33 21.408 -10.430 6.164 1.00 0.00 N ATOM 509 CA GLY A 33 22.459 -10.461 7.180 1.00 0.00 C ATOM 510 C GLY A 33 23.714 -9.718 6.747 1.00 0.00 C ATOM 511 O GLY A 33 24.826 -10.086 7.131 1.00 0.00 O ATOM 0 H GLY A 33 20.634 -9.805 6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 33 22.081 -10.020 8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.713 -11.497 7.403 1.00 0.00 H new ATOM 515 N ILE A 34 23.526 -8.659 5.940 1.00 0.00 N ATOM 516 CA ILE A 34 24.630 -7.842 5.380 1.00 0.00 C ATOM 517 C ILE A 34 24.587 -6.407 5.934 1.00 0.00 C ATOM 518 O ILE A 34 23.619 -6.018 6.594 1.00 0.00 O ATOM 519 CB ILE A 34 24.583 -7.824 3.803 1.00 0.00 C ATOM 520 CG1 ILE A 34 23.241 -7.206 3.272 1.00 0.00 C ATOM 521 CG2 ILE A 34 24.808 -9.248 3.235 1.00 0.00 C ATOM 522 CD1 ILE A 34 23.095 -7.191 1.754 1.00 0.00 C ATOM 0 H ILE A 34 22.601 -8.340 5.653 1.00 0.00 H new ATOM 0 HA ILE A 34 25.569 -8.302 5.687 1.00 0.00 H new ATOM 0 HB ILE A 34 25.393 -7.185 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 34 22.408 -7.766 3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 34 23.159 -6.183 3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 34 24.772 -9.215 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.782 -9.618 3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 34 24.028 -9.914 3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 34 22.137 -6.746 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 34 23.903 -6.605 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 34 23.140 -8.212 1.374 1.00 0.00 H new ATOM 534 N ALA A 35 25.652 -5.635 5.654 1.00 0.00 N ATOM 535 CA ALA A 35 25.823 -4.264 6.164 1.00 0.00 C ATOM 536 C ALA A 35 24.856 -3.269 5.460 1.00 0.00 C ATOM 537 O ALA A 35 24.939 -3.106 4.242 1.00 0.00 O ATOM 538 CB ALA A 35 27.293 -3.826 5.980 1.00 0.00 C ATOM 0 H ALA A 35 26.423 -5.947 5.064 1.00 0.00 H new ATOM 0 HA ALA A 35 25.576 -4.255 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.420 -2.811 6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 35 27.946 -4.503 6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.551 -3.855 4.921 1.00 0.00 H new ATOM 544 N PRO A 36 23.934 -2.571 6.218 1.00 0.00 N ATOM 545 CA PRO A 36 22.971 -1.595 5.626 1.00 0.00 C ATOM 546 C PRO A 36 23.681 -0.365 5.023 1.00 0.00 C ATOM 547 O PRO A 36 23.175 0.247 4.073 1.00 0.00 O ATOM 548 CB PRO A 36 22.063 -1.209 6.828 1.00 0.00 C ATOM 549 CG PRO A 36 22.921 -1.453 8.033 1.00 0.00 C ATOM 550 CD PRO A 36 23.764 -2.667 7.696 1.00 0.00 C ATOM 0 HA PRO A 36 22.412 -2.016 4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.746 -0.168 6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.158 -1.816 6.854 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.548 -0.588 8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.311 -1.633 8.918 1.00 0.00 H new ATOM 0 HD2 PRO A 36 24.723 -2.646 8.213 1.00 0.00 H new ATOM 0 HD3 PRO A 36 23.267 -3.594 7.984 1.00 0.00 H new ATOM 558 N GLU A 37 24.864 -0.038 5.591 1.00 0.00 N ATOM 559 CA GLU A 37 25.731 1.053 5.112 1.00 0.00 C ATOM 560 C GLU A 37 26.249 0.770 3.687 1.00 0.00 C ATOM 561 O GLU A 37 26.365 1.680 2.871 1.00 0.00 O ATOM 562 CB GLU A 37 26.933 1.242 6.076 1.00 0.00 C ATOM 563 CG GLU A 37 27.831 -0.005 6.226 1.00 0.00 C ATOM 564 CD GLU A 37 29.135 0.254 6.989 1.00 0.00 C ATOM 565 OE1 GLU A 37 30.131 0.660 6.353 1.00 0.00 O ATOM 566 OE2 GLU A 37 29.179 0.026 8.219 1.00 0.00 O ATOM 0 H GLU A 37 25.243 -0.530 6.400 1.00 0.00 H new ATOM 0 HA GLU A 37 25.137 1.966 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 37 27.542 2.073 5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 37 26.554 1.523 7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 37 27.270 -0.785 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 37 28.072 -0.388 5.234 1.00 0.00 H new ATOM 573 N ASP A 38 26.505 -0.523 3.409 1.00 0.00 N ATOM 574 CA ASP A 38 27.153 -0.991 2.172 1.00 0.00 C ATOM 575 C ASP A 38 26.214 -0.848 0.970 1.00 0.00 C ATOM 576 O ASP A 38 26.655 -0.672 -0.167 1.00 0.00 O ATOM 577 CB ASP A 38 27.585 -2.469 2.374 1.00 0.00 C ATOM 578 CG ASP A 38 28.192 -3.134 1.128 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.261 -2.692 0.672 1.00 0.00 O ATOM 580 OD2 ASP A 38 27.608 -4.108 0.607 1.00 0.00 O ATOM 0 H ASP A 38 26.263 -1.281 4.047 1.00 0.00 H new ATOM 0 HA ASP A 38 28.030 -0.379 1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.313 -2.514 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 38 26.717 -3.047 2.692 1.00 0.00 H new ATOM 585 N GLN A 39 24.916 -0.876 1.262 1.00 0.00 N ATOM 586 CA GLN A 39 23.860 -0.900 0.260 1.00 0.00 C ATOM 587 C GLN A 39 23.559 0.506 -0.282 1.00 0.00 C ATOM 588 O GLN A 39 23.508 1.483 0.474 1.00 0.00 O ATOM 589 CB GLN A 39 22.593 -1.502 0.902 1.00 0.00 C ATOM 590 CG GLN A 39 22.786 -2.938 1.428 1.00 0.00 C ATOM 591 CD GLN A 39 21.592 -3.461 2.214 1.00 0.00 C ATOM 592 OE1 GLN A 39 21.243 -4.634 2.148 1.00 0.00 O ATOM 593 NE2 GLN A 39 20.989 -2.608 3.014 1.00 0.00 N ATOM 0 H GLN A 39 24.565 -0.883 2.220 1.00 0.00 H new ATOM 0 HA GLN A 39 24.188 -1.507 -0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.275 -0.863 1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 39 21.788 -1.499 0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 39 22.976 -3.603 0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 39 23.671 -2.968 2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 39 21.299 -1.637 3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.212 -2.918 3.598 1.00 0.00 H new ATOM 602 N VAL A 40 23.375 0.573 -1.603 1.00 0.00 N ATOM 603 CA VAL A 40 22.801 1.717 -2.312 1.00 0.00 C ATOM 604 C VAL A 40 21.578 1.208 -3.093 1.00 0.00 C ATOM 605 O VAL A 40 21.628 0.135 -3.717 1.00 0.00 O ATOM 606 CB VAL A 40 23.843 2.419 -3.276 1.00 0.00 C ATOM 607 CG1 VAL A 40 24.489 1.431 -4.278 1.00 0.00 C ATOM 608 CG2 VAL A 40 23.205 3.625 -4.017 1.00 0.00 C ATOM 0 H VAL A 40 23.630 -0.192 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 40 22.510 2.481 -1.591 1.00 0.00 H new ATOM 0 HB VAL A 40 24.646 2.794 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 40 25.194 1.966 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 40 25.015 0.649 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.713 0.981 -4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.947 4.084 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 40 22.360 3.280 -4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.860 4.358 -3.288 1.00 0.00 H new ATOM 618 N VAL A 41 20.463 1.945 -3.000 1.00 0.00 N ATOM 619 CA VAL A 41 19.211 1.586 -3.675 1.00 0.00 C ATOM 620 C VAL A 41 19.127 2.309 -5.034 1.00 0.00 C ATOM 621 O VAL A 41 18.970 3.528 -5.103 1.00 0.00 O ATOM 622 CB VAL A 41 17.962 1.893 -2.771 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.631 1.742 -3.542 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.967 0.983 -1.514 1.00 0.00 C ATOM 0 H VAL A 41 20.405 2.805 -2.455 1.00 0.00 H new ATOM 0 HA VAL A 41 19.206 0.511 -3.857 1.00 0.00 H new ATOM 0 HB VAL A 41 18.037 2.935 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.797 1.964 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.617 2.435 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.538 0.721 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 41 17.096 1.208 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.934 -0.062 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.875 1.163 -0.938 1.00 0.00 H new ATOM 634 N LEU A 42 19.286 1.516 -6.094 1.00 0.00 N ATOM 635 CA LEU A 42 19.256 1.953 -7.483 1.00 0.00 C ATOM 636 C LEU A 42 17.855 1.713 -8.074 1.00 0.00 C ATOM 637 O LEU A 42 17.398 0.570 -8.160 1.00 0.00 O ATOM 638 CB LEU A 42 20.320 1.157 -8.288 1.00 0.00 C ATOM 639 CG LEU A 42 21.781 1.198 -7.730 1.00 0.00 C ATOM 640 CD1 LEU A 42 22.723 0.308 -8.567 1.00 0.00 C ATOM 641 CD2 LEU A 42 22.323 2.642 -7.642 1.00 0.00 C ATOM 0 H LEU A 42 19.445 0.513 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 42 19.481 3.018 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 42 20.002 0.116 -8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 42 20.332 1.538 -9.309 1.00 0.00 H new ATOM 0 HG LEU A 42 21.748 0.799 -6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.731 0.357 -8.155 1.00 0.00 H new ATOM 0 HD12 LEU A 42 22.369 -0.723 -8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.735 0.660 -9.598 1.00 0.00 H new ATOM 0 HD21 LEU A 42 23.340 2.626 -7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 42 22.324 3.091 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.688 3.229 -6.979 1.00 0.00 H new ATOM 653 N LEU A 43 17.155 2.792 -8.418 1.00 0.00 N ATOM 654 CA LEU A 43 15.910 2.727 -9.192 1.00 0.00 C ATOM 655 C LEU A 43 16.267 2.930 -10.671 1.00 0.00 C ATOM 656 O LEU A 43 16.631 4.038 -11.066 1.00 0.00 O ATOM 657 CB LEU A 43 14.905 3.795 -8.676 1.00 0.00 C ATOM 658 CG LEU A 43 13.527 3.879 -9.410 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.822 2.506 -9.457 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.616 4.951 -8.759 1.00 0.00 C ATOM 0 H LEU A 43 17.434 3.741 -8.168 1.00 0.00 H new ATOM 0 HA LEU A 43 15.423 1.759 -9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.716 3.602 -7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.384 4.772 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 43 13.722 4.180 -10.439 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.868 2.604 -9.975 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.451 1.792 -9.988 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.649 2.151 -8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.664 4.989 -9.288 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.440 4.694 -7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.102 5.925 -8.816 1.00 0.00 H new ATOM 672 N ALA A 44 16.243 1.823 -11.453 1.00 0.00 N ATOM 673 CA ALA A 44 16.684 1.792 -12.874 1.00 0.00 C ATOM 674 C ALA A 44 18.171 2.205 -13.029 1.00 0.00 C ATOM 675 O ALA A 44 18.581 2.719 -14.076 1.00 0.00 O ATOM 676 CB ALA A 44 15.758 2.660 -13.758 1.00 0.00 C ATOM 0 H ALA A 44 15.915 0.918 -11.115 1.00 0.00 H new ATOM 0 HA ALA A 44 16.607 0.761 -13.219 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.101 2.621 -14.792 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.738 2.280 -13.699 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.782 3.691 -13.406 1.00 0.00 H new ATOM 682 N GLY A 45 18.969 1.951 -11.968 1.00 0.00 N ATOM 683 CA GLY A 45 20.398 2.291 -11.938 1.00 0.00 C ATOM 684 C GLY A 45 20.693 3.646 -11.296 1.00 0.00 C ATOM 685 O GLY A 45 21.860 3.981 -11.067 1.00 0.00 O ATOM 0 H GLY A 45 18.636 1.505 -11.113 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.936 1.516 -11.392 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.784 2.290 -12.957 1.00 0.00 H new ATOM 689 N ALA A 46 19.635 4.422 -10.994 1.00 0.00 N ATOM 690 CA ALA A 46 19.748 5.764 -10.400 1.00 0.00 C ATOM 691 C ALA A 46 19.710 5.670 -8.859 1.00 0.00 C ATOM 692 O ALA A 46 18.698 5.235 -8.303 1.00 0.00 O ATOM 693 CB ALA A 46 18.610 6.660 -10.911 1.00 0.00 C ATOM 0 H ALA A 46 18.671 4.131 -11.157 1.00 0.00 H new ATOM 0 HA ALA A 46 20.700 6.204 -10.696 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.700 7.651 -10.467 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.670 6.741 -11.996 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.651 6.224 -10.633 1.00 0.00 H new ATOM 699 N PRO A 47 20.813 6.068 -8.141 1.00 0.00 N ATOM 700 CA PRO A 47 20.856 6.035 -6.659 1.00 0.00 C ATOM 701 C PRO A 47 19.846 7.026 -6.037 1.00 0.00 C ATOM 702 O PRO A 47 19.927 8.236 -6.271 1.00 0.00 O ATOM 703 CB PRO A 47 22.326 6.414 -6.328 1.00 0.00 C ATOM 704 CG PRO A 47 22.805 7.177 -7.525 1.00 0.00 C ATOM 705 CD PRO A 47 22.094 6.569 -8.713 1.00 0.00 C ATOM 0 HA PRO A 47 20.574 5.065 -6.249 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.384 7.020 -5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.934 5.526 -6.156 1.00 0.00 H new ATOM 0 HG2 PRO A 47 22.573 8.238 -7.431 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.887 7.096 -7.633 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.921 7.307 -9.496 1.00 0.00 H new ATOM 0 HD3 PRO A 47 22.676 5.762 -9.158 1.00 0.00 H new ATOM 713 N LEU A 48 18.874 6.485 -5.289 1.00 0.00 N ATOM 714 CA LEU A 48 17.838 7.274 -4.605 1.00 0.00 C ATOM 715 C LEU A 48 18.397 7.959 -3.349 1.00 0.00 C ATOM 716 O LEU A 48 19.376 7.492 -2.754 1.00 0.00 O ATOM 717 CB LEU A 48 16.634 6.366 -4.227 1.00 0.00 C ATOM 718 CG LEU A 48 15.846 5.745 -5.423 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.670 4.874 -4.925 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.345 6.838 -6.399 1.00 0.00 C ATOM 0 H LEU A 48 18.783 5.480 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 48 17.500 8.051 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.999 5.555 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.939 6.950 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 48 16.536 5.102 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.140 4.455 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.054 4.065 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.986 5.487 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.801 6.371 -7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.684 7.524 -5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.197 7.389 -6.796 1.00 0.00 H new ATOM 732 N GLU A 49 17.754 9.069 -2.966 1.00 0.00 N ATOM 733 CA GLU A 49 18.068 9.798 -1.735 1.00 0.00 C ATOM 734 C GLU A 49 17.564 8.977 -0.535 1.00 0.00 C ATOM 735 O GLU A 49 16.352 8.903 -0.296 1.00 0.00 O ATOM 736 CB GLU A 49 17.416 11.217 -1.747 1.00 0.00 C ATOM 737 CG GLU A 49 17.968 12.206 -2.804 1.00 0.00 C ATOM 738 CD GLU A 49 17.737 11.767 -4.264 1.00 0.00 C ATOM 739 OE1 GLU A 49 16.581 11.830 -4.738 1.00 0.00 O ATOM 740 OE2 GLU A 49 18.704 11.338 -4.937 1.00 0.00 O ATOM 0 H GLU A 49 16.997 9.488 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 49 19.147 9.936 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 49 16.344 11.102 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 49 17.542 11.662 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 49 17.503 13.180 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.038 12.335 -2.640 1.00 0.00 H new ATOM 747 N ASP A 50 18.498 8.317 0.181 1.00 0.00 N ATOM 748 CA ASP A 50 18.163 7.502 1.367 1.00 0.00 C ATOM 749 C ASP A 50 17.768 8.367 2.576 1.00 0.00 C ATOM 750 O ASP A 50 17.161 7.862 3.529 1.00 0.00 O ATOM 751 CB ASP A 50 19.290 6.490 1.706 1.00 0.00 C ATOM 752 CG ASP A 50 20.678 7.120 1.868 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.012 7.586 2.980 1.00 0.00 O ATOM 754 OD2 ASP A 50 21.445 7.147 0.876 1.00 0.00 O ATOM 0 H ASP A 50 19.493 8.333 -0.043 1.00 0.00 H new ATOM 0 HA ASP A 50 17.280 6.916 1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.030 5.971 2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 50 19.335 5.738 0.918 1.00 0.00 H new ATOM 759 N GLU A 51 18.078 9.677 2.512 1.00 0.00 N ATOM 760 CA GLU A 51 17.630 10.657 3.520 1.00 0.00 C ATOM 761 C GLU A 51 16.123 10.956 3.341 1.00 0.00 C ATOM 762 O GLU A 51 15.446 11.367 4.287 1.00 0.00 O ATOM 763 CB GLU A 51 18.455 11.965 3.414 1.00 0.00 C ATOM 764 CG GLU A 51 18.248 12.749 2.097 1.00 0.00 C ATOM 765 CD GLU A 51 19.039 14.064 2.047 1.00 0.00 C ATOM 766 OE1 GLU A 51 18.612 15.051 2.678 1.00 0.00 O ATOM 767 OE2 GLU A 51 20.106 14.116 1.392 1.00 0.00 O ATOM 0 H GLU A 51 18.642 10.083 1.765 1.00 0.00 H new ATOM 0 HA GLU A 51 17.788 10.231 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.196 12.612 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.513 11.722 3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.545 12.121 1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.187 12.965 1.973 1.00 0.00 H new ATOM 774 N ALA A 52 15.627 10.739 2.105 1.00 0.00 N ATOM 775 CA ALA A 52 14.235 11.005 1.716 1.00 0.00 C ATOM 776 C ALA A 52 13.375 9.734 1.834 1.00 0.00 C ATOM 777 O ALA A 52 13.896 8.606 1.812 1.00 0.00 O ATOM 778 CB ALA A 52 14.190 11.558 0.281 1.00 0.00 C ATOM 0 H ALA A 52 16.194 10.369 1.342 1.00 0.00 H new ATOM 0 HA ALA A 52 13.822 11.750 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.155 11.753 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.761 12.485 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.622 10.828 -0.404 1.00 0.00 H new ATOM 784 N THR A 53 12.050 9.937 1.961 1.00 0.00 N ATOM 785 CA THR A 53 11.068 8.846 2.023 1.00 0.00 C ATOM 786 C THR A 53 10.663 8.401 0.608 1.00 0.00 C ATOM 787 O THR A 53 10.967 9.084 -0.387 1.00 0.00 O ATOM 788 CB THR A 53 9.798 9.287 2.826 1.00 0.00 C ATOM 789 OG1 THR A 53 9.151 10.387 2.172 1.00 0.00 O ATOM 790 CG2 THR A 53 10.144 9.696 4.268 1.00 0.00 C ATOM 0 H THR A 53 11.633 10.866 2.023 1.00 0.00 H new ATOM 0 HA THR A 53 11.533 8.005 2.538 1.00 0.00 H new ATOM 0 HB THR A 53 9.129 8.427 2.862 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.358 10.651 2.684 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.235 9.995 4.790 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.599 8.852 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.844 10.532 4.251 1.00 0.00 H new ATOM 798 N LEU A 54 9.968 7.255 0.534 1.00 0.00 N ATOM 799 CA LEU A 54 9.388 6.738 -0.719 1.00 0.00 C ATOM 800 C LEU A 54 8.265 7.680 -1.214 1.00 0.00 C ATOM 801 O LEU A 54 8.070 7.862 -2.422 1.00 0.00 O ATOM 802 CB LEU A 54 8.850 5.305 -0.482 1.00 0.00 C ATOM 803 CG LEU A 54 9.906 4.253 -0.019 1.00 0.00 C ATOM 804 CD1 LEU A 54 9.238 2.924 0.379 1.00 0.00 C ATOM 805 CD2 LEU A 54 11.000 4.030 -1.088 1.00 0.00 C ATOM 0 H LEU A 54 9.791 6.658 1.342 1.00 0.00 H new ATOM 0 HA LEU A 54 10.157 6.699 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.060 5.353 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.393 4.951 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 54 10.395 4.658 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.001 2.214 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.541 3.098 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.698 2.518 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.716 3.291 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.541 3.671 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.516 4.970 -1.282 1.00 0.00 H new ATOM 817 N GLY A 55 7.555 8.290 -0.243 1.00 0.00 N ATOM 818 CA GLY A 55 6.514 9.280 -0.515 1.00 0.00 C ATOM 819 C GLY A 55 7.080 10.606 -1.016 1.00 0.00 C ATOM 820 O GLY A 55 6.421 11.305 -1.788 1.00 0.00 O ATOM 0 H GLY A 55 7.694 8.104 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.823 8.881 -1.258 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.938 9.455 0.394 1.00 0.00 H new ATOM 824 N GLN A 56 8.319 10.939 -0.582 1.00 0.00 N ATOM 825 CA GLN A 56 9.027 12.173 -0.995 1.00 0.00 C ATOM 826 C GLN A 56 9.498 12.063 -2.457 1.00 0.00 C ATOM 827 O GLN A 56 9.340 13.007 -3.240 1.00 0.00 O ATOM 828 CB GLN A 56 10.229 12.459 -0.054 1.00 0.00 C ATOM 829 CG GLN A 56 11.023 13.754 -0.372 1.00 0.00 C ATOM 830 CD GLN A 56 10.194 15.045 -0.262 1.00 0.00 C ATOM 831 OE1 GLN A 56 9.260 15.144 0.534 1.00 0.00 O ATOM 832 NE2 GLN A 56 10.527 16.042 -1.067 1.00 0.00 N ATOM 0 H GLN A 56 8.855 10.360 0.064 1.00 0.00 H new ATOM 0 HA GLN A 56 8.330 13.007 -0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.862 12.519 0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.914 11.612 -0.098 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.872 13.822 0.308 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.427 13.680 -1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.305 15.934 -1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.005 16.918 -1.037 1.00 0.00 H new ATOM 841 N CYS A 57 10.064 10.892 -2.819 1.00 0.00 N ATOM 842 CA CYS A 57 10.442 10.596 -4.216 1.00 0.00 C ATOM 843 C CYS A 57 9.186 10.262 -5.059 1.00 0.00 C ATOM 844 O CYS A 57 9.262 10.161 -6.288 1.00 0.00 O ATOM 845 CB CYS A 57 11.492 9.458 -4.270 1.00 0.00 C ATOM 846 SG CYS A 57 10.991 7.933 -3.451 1.00 0.00 S ATOM 0 H CYS A 57 10.269 10.138 -2.164 1.00 0.00 H new ATOM 0 HA CYS A 57 10.902 11.484 -4.650 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.716 9.237 -5.314 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.416 9.813 -3.814 1.00 0.00 H new ATOM 0 HG CYS A 57 9.712 7.965 -3.219 1.00 0.00 H new ATOM 852 N GLY A 58 8.037 10.081 -4.364 1.00 0.00 N ATOM 853 CA GLY A 58 6.720 9.942 -4.996 1.00 0.00 C ATOM 854 C GLY A 58 6.533 8.625 -5.725 1.00 0.00 C ATOM 855 O GLY A 58 5.672 8.516 -6.608 1.00 0.00 O ATOM 0 H GLY A 58 8.007 10.028 -3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.948 10.038 -4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.576 10.761 -5.700 1.00 0.00 H new ATOM 859 N VAL A 59 7.341 7.623 -5.353 1.00 0.00 N ATOM 860 CA VAL A 59 7.329 6.310 -6.009 1.00 0.00 C ATOM 861 C VAL A 59 6.126 5.489 -5.491 1.00 0.00 C ATOM 862 O VAL A 59 5.710 5.643 -4.335 1.00 0.00 O ATOM 863 CB VAL A 59 8.702 5.555 -5.794 1.00 0.00 C ATOM 864 CG1 VAL A 59 8.958 5.194 -4.317 1.00 0.00 C ATOM 865 CG2 VAL A 59 8.814 4.311 -6.698 1.00 0.00 C ATOM 0 H VAL A 59 8.017 7.699 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 59 7.214 6.444 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 59 9.484 6.255 -6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.914 4.678 -4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.981 6.105 -3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.160 4.544 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.770 3.818 -6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.003 3.620 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.748 4.614 -7.743 1.00 0.00 H new ATOM 875 N GLU A 60 5.537 4.664 -6.374 1.00 0.00 N ATOM 876 CA GLU A 60 4.330 3.866 -6.061 1.00 0.00 C ATOM 877 C GLU A 60 4.666 2.359 -5.987 1.00 0.00 C ATOM 878 O GLU A 60 5.840 1.975 -5.862 1.00 0.00 O ATOM 879 CB GLU A 60 3.227 4.154 -7.123 1.00 0.00 C ATOM 880 CG GLU A 60 2.709 5.606 -7.137 1.00 0.00 C ATOM 881 CD GLU A 60 1.485 5.798 -8.049 1.00 0.00 C ATOM 882 OE1 GLU A 60 0.365 5.419 -7.641 1.00 0.00 O ATOM 883 OE2 GLU A 60 1.631 6.303 -9.184 1.00 0.00 O ATOM 0 H GLU A 60 5.881 4.529 -7.325 1.00 0.00 H new ATOM 0 HA GLU A 60 3.953 4.157 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.621 3.914 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.386 3.484 -6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.449 5.903 -6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.509 6.268 -7.467 1.00 0.00 H new ATOM 890 N ALA A 61 3.619 1.511 -6.038 1.00 0.00 N ATOM 891 CA ALA A 61 3.752 0.045 -5.987 1.00 0.00 C ATOM 892 C ALA A 61 4.207 -0.534 -7.345 1.00 0.00 C ATOM 893 O ALA A 61 4.363 0.205 -8.321 1.00 0.00 O ATOM 894 CB ALA A 61 2.418 -0.574 -5.542 1.00 0.00 C ATOM 0 H ALA A 61 2.653 1.828 -6.116 1.00 0.00 H new ATOM 0 HA ALA A 61 4.525 -0.208 -5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.515 -1.659 -5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.154 -0.198 -4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.637 -0.304 -6.253 1.00 0.00 H new ATOM 900 N LEU A 62 4.448 -1.873 -7.365 1.00 0.00 N ATOM 901 CA LEU A 62 4.938 -2.646 -8.542 1.00 0.00 C ATOM 902 C LEU A 62 6.369 -2.239 -8.972 1.00 0.00 C ATOM 903 O LEU A 62 6.885 -2.753 -9.968 1.00 0.00 O ATOM 904 CB LEU A 62 3.942 -2.592 -9.759 1.00 0.00 C ATOM 905 CG LEU A 62 2.611 -3.422 -9.632 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.903 -4.912 -9.334 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.640 -2.817 -8.590 1.00 0.00 C ATOM 0 H LEU A 62 4.304 -2.460 -6.543 1.00 0.00 H new ATOM 0 HA LEU A 62 4.986 -3.683 -8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.675 -1.549 -9.932 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.473 -2.937 -10.646 1.00 0.00 H new ATOM 0 HG LEU A 62 2.110 -3.367 -10.599 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.963 -5.458 -9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.499 -5.335 -10.143 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.453 -4.995 -8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.737 -3.425 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.121 -2.799 -7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.377 -1.801 -8.884 1.00 0.00 H new ATOM 919 N THR A 63 7.006 -1.356 -8.189 1.00 0.00 N ATOM 920 CA THR A 63 8.365 -0.854 -8.438 1.00 0.00 C ATOM 921 C THR A 63 9.409 -1.869 -7.926 1.00 0.00 C ATOM 922 O THR A 63 9.113 -2.654 -7.036 1.00 0.00 O ATOM 923 CB THR A 63 8.531 0.530 -7.729 1.00 0.00 C ATOM 924 OG1 THR A 63 7.555 1.449 -8.246 1.00 0.00 O ATOM 925 CG2 THR A 63 9.935 1.136 -7.901 1.00 0.00 C ATOM 0 H THR A 63 6.582 -0.963 -7.348 1.00 0.00 H new ATOM 0 HA THR A 63 8.524 -0.726 -9.509 1.00 0.00 H new ATOM 0 HB THR A 63 8.385 0.359 -6.663 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.908 1.668 -7.544 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.983 2.095 -7.385 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.678 0.459 -7.478 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.140 1.283 -8.961 1.00 0.00 H new ATOM 933 N THR A 64 10.616 -1.851 -8.515 1.00 0.00 N ATOM 934 CA THR A 64 11.729 -2.731 -8.123 1.00 0.00 C ATOM 935 C THR A 64 12.957 -1.873 -7.725 1.00 0.00 C ATOM 936 O THR A 64 13.653 -1.318 -8.586 1.00 0.00 O ATOM 937 CB THR A 64 12.094 -3.734 -9.273 1.00 0.00 C ATOM 938 OG1 THR A 64 10.911 -4.434 -9.703 1.00 0.00 O ATOM 939 CG2 THR A 64 13.147 -4.770 -8.823 1.00 0.00 C ATOM 0 H THR A 64 10.848 -1.221 -9.282 1.00 0.00 H new ATOM 0 HA THR A 64 11.418 -3.324 -7.263 1.00 0.00 H new ATOM 0 HB THR A 64 12.514 -3.150 -10.092 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.143 -5.058 -10.422 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.370 -5.444 -9.650 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.058 -4.254 -8.519 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.757 -5.344 -7.982 1.00 0.00 H new ATOM 947 N LEU A 65 13.167 -1.734 -6.404 1.00 0.00 N ATOM 948 CA LEU A 65 14.314 -1.024 -5.822 1.00 0.00 C ATOM 949 C LEU A 65 15.504 -1.991 -5.713 1.00 0.00 C ATOM 950 O LEU A 65 15.423 -2.968 -4.981 1.00 0.00 O ATOM 951 CB LEU A 65 13.927 -0.482 -4.417 1.00 0.00 C ATOM 952 CG LEU A 65 12.686 0.466 -4.348 1.00 0.00 C ATOM 953 CD1 LEU A 65 12.455 0.973 -2.904 1.00 0.00 C ATOM 954 CD2 LEU A 65 12.814 1.644 -5.343 1.00 0.00 C ATOM 0 H LEU A 65 12.534 -2.118 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 65 14.595 -0.184 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.741 -1.334 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.786 0.051 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 65 11.812 -0.114 -4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.586 1.630 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.283 0.123 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.334 1.523 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.933 2.282 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.705 2.226 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.894 1.256 -6.358 1.00 0.00 H new ATOM 966 N GLU A 66 16.601 -1.722 -6.433 1.00 0.00 N ATOM 967 CA GLU A 66 17.744 -2.660 -6.524 1.00 0.00 C ATOM 968 C GLU A 66 18.827 -2.341 -5.475 1.00 0.00 C ATOM 969 O GLU A 66 19.279 -1.214 -5.361 1.00 0.00 O ATOM 970 CB GLU A 66 18.352 -2.617 -7.947 1.00 0.00 C ATOM 971 CG GLU A 66 19.564 -3.553 -8.159 1.00 0.00 C ATOM 972 CD GLU A 66 20.133 -3.490 -9.579 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.040 -2.660 -9.836 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.687 -4.273 -10.445 1.00 0.00 O ATOM 0 H GLU A 66 16.728 -0.861 -6.965 1.00 0.00 H new ATOM 0 HA GLU A 66 17.370 -3.663 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.577 -2.880 -8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.657 -1.594 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.347 -3.289 -7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.266 -4.578 -7.939 1.00 0.00 H new ATOM 981 N VAL A 67 19.233 -3.363 -4.721 1.00 0.00 N ATOM 982 CA VAL A 67 20.333 -3.278 -3.753 1.00 0.00 C ATOM 983 C VAL A 67 21.671 -3.578 -4.456 1.00 0.00 C ATOM 984 O VAL A 67 21.790 -4.586 -5.162 1.00 0.00 O ATOM 985 CB VAL A 67 20.101 -4.286 -2.562 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.306 -4.336 -1.595 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.803 -3.930 -1.803 1.00 0.00 C ATOM 0 H VAL A 67 18.803 -4.287 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 67 20.365 -2.268 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 67 19.998 -5.282 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 67 21.099 -5.043 -0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 67 22.196 -4.654 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.474 -3.346 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.656 -4.634 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.881 -2.919 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.955 -3.986 -2.486 1.00 0.00 H new ATOM 997 N ALA A 68 22.656 -2.680 -4.276 1.00 0.00 N ATOM 998 CA ALA A 68 24.032 -2.866 -4.764 1.00 0.00 C ATOM 999 C ALA A 68 25.028 -2.520 -3.646 1.00 0.00 C ATOM 1000 O ALA A 68 24.842 -1.532 -2.936 1.00 0.00 O ATOM 1001 CB ALA A 68 24.275 -1.993 -6.005 1.00 0.00 C ATOM 0 H ALA A 68 22.517 -1.798 -3.783 1.00 0.00 H new ATOM 0 HA ALA A 68 24.178 -3.908 -5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.296 -2.138 -6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.576 -2.276 -6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 68 24.126 -0.944 -5.747 1.00 0.00 H new ATOM 1007 N GLY A 69 26.073 -3.348 -3.482 1.00 0.00 N ATOM 1008 CA GLY A 69 27.091 -3.116 -2.458 1.00 0.00 C ATOM 1009 C GLY A 69 28.167 -2.155 -2.930 1.00 0.00 C ATOM 1010 O GLY A 69 29.182 -2.581 -3.490 1.00 0.00 O ATOM 0 H GLY A 69 26.230 -4.182 -4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.618 -2.717 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.549 -4.065 -2.182 1.00 0.00 H new ATOM 1014 N ARG A 70 27.944 -0.845 -2.699 1.00 0.00 N ATOM 1015 CA ARG A 70 28.820 0.238 -3.209 1.00 0.00 C ATOM 1016 C ARG A 70 28.992 1.383 -2.189 1.00 0.00 C ATOM 1017 O ARG A 70 30.028 2.047 -2.180 1.00 0.00 O ATOM 1018 CB ARG A 70 28.258 0.812 -4.541 1.00 0.00 C ATOM 1019 CG ARG A 70 28.331 -0.156 -5.746 1.00 0.00 C ATOM 1020 CD ARG A 70 27.770 0.468 -7.029 1.00 0.00 C ATOM 1021 NE ARG A 70 28.404 1.761 -7.325 1.00 0.00 N ATOM 1022 CZ ARG A 70 27.964 2.656 -8.218 1.00 0.00 C ATOM 1023 NH1 ARG A 70 26.916 2.397 -8.997 1.00 0.00 N ATOM 1024 NH2 ARG A 70 28.588 3.817 -8.320 1.00 0.00 N ATOM 0 H ARG A 70 27.152 -0.505 -2.154 1.00 0.00 H new ATOM 0 HA ARG A 70 29.800 -0.206 -3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 70 27.218 1.100 -4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 70 28.807 1.721 -4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 70 29.368 -0.450 -5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 70 27.775 -1.064 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 70 27.927 -0.214 -7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 70 26.693 0.605 -6.927 1.00 0.00 H new ATOM 0 HE ARG A 70 29.250 1.996 -6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 70 26.432 1.503 -8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 70 26.597 3.093 -9.671 1.00 0.00 H new ATOM 0 HH21 ARG A 70 29.391 4.019 -7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 70 28.267 4.511 -8.995 1.00 0.00 H new ATOM 1038 N MET A 71 27.982 1.605 -1.328 1.00 0.00 N ATOM 1039 CA MET A 71 27.949 2.763 -0.391 1.00 0.00 C ATOM 1040 C MET A 71 28.717 2.463 0.938 1.00 0.00 C ATOM 1041 O MET A 71 28.572 3.184 1.931 1.00 0.00 O ATOM 1042 CB MET A 71 26.456 3.157 -0.143 1.00 0.00 C ATOM 1043 CG MET A 71 26.229 4.450 0.668 1.00 0.00 C ATOM 1044 SD MET A 71 24.497 4.940 0.753 1.00 0.00 S ATOM 1045 CE MET A 71 24.193 5.460 -0.931 1.00 0.00 C ATOM 0 H MET A 71 27.167 0.996 -1.255 1.00 0.00 H new ATOM 0 HA MET A 71 28.470 3.609 -0.839 1.00 0.00 H new ATOM 0 HB2 MET A 71 25.963 3.265 -1.109 1.00 0.00 H new ATOM 0 HB3 MET A 71 25.964 2.334 0.376 1.00 0.00 H new ATOM 0 HG2 MET A 71 26.610 4.308 1.679 1.00 0.00 H new ATOM 0 HG3 MET A 71 26.807 5.258 0.220 1.00 0.00 H new ATOM 0 HE1 MET A 71 24.117 6.547 -0.968 1.00 0.00 H new ATOM 0 HE2 MET A 71 25.015 5.131 -1.567 1.00 0.00 H new ATOM 0 HE3 MET A 71 23.261 5.019 -1.285 1.00 0.00 H new