USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=12 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 Single : A 1 MET CE :methyl 163:sc= 0 (180deg=-0.41) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.0379 (180deg=0.021) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 11 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.69) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.686 K(o=-0.69,f=0) USER MOD Single : A 20 THR OG1 : rot -170:sc= -1.46! USER MOD Single : A 23 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.84) USER MOD Single : A 25 LYS NZ :NH3+ -135:sc= 0.797 (180deg=0.573) USER MOD Single : A 27 HIS : no HD1:sc= -0.0134 X(o=-0.013,f=-0.013) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.702 USER MOD Single : A 56 GLN : amide:sc= -0.816 K(o=-0.82,f=-5!) USER MOD Single : A 57 CYS SG : rot 76:sc= 0.484 USER MOD Single : A 63 THR OG1 : rot 116:sc= 0.0958 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 172:sc= 0 (180deg=-0.111) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.921 -0.389 -0.164 1.00 0.00 N ATOM 2 CA MET A 1 1.950 -0.117 -1.191 1.00 0.00 C ATOM 3 C MET A 1 2.994 -1.250 -1.170 1.00 0.00 C ATOM 4 O MET A 1 3.994 -1.177 -0.463 1.00 0.00 O ATOM 5 CB MET A 1 2.573 1.285 -0.913 1.00 0.00 C ATOM 6 CG MET A 1 3.726 1.722 -1.825 1.00 0.00 C ATOM 7 SD MET A 1 4.394 3.320 -1.300 1.00 0.00 S ATOM 8 CE MET A 1 5.953 3.387 -2.177 1.00 0.00 C ATOM 0 H1 MET A 1 0.106 0.239 -0.315 1.00 0.00 H new ATOM 0 H2 MET A 1 0.613 -1.380 -0.235 1.00 0.00 H new ATOM 0 H3 MET A 1 1.320 -0.218 0.781 1.00 0.00 H new ATOM 0 HA MET A 1 1.519 -0.094 -2.192 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.780 2.030 -0.987 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.930 1.300 0.117 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.515 0.970 -1.807 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.375 1.791 -2.855 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.319 4.414 -2.191 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.681 2.749 -1.675 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.810 3.039 -3.200 1.00 0.00 H new ATOM 18 N GLN A 2 2.696 -2.349 -1.886 1.00 0.00 N ATOM 19 CA GLN A 2 3.605 -3.513 -1.992 1.00 0.00 C ATOM 20 C GLN A 2 4.470 -3.371 -3.252 1.00 0.00 C ATOM 21 O GLN A 2 3.930 -3.318 -4.357 1.00 0.00 O ATOM 22 CB GLN A 2 2.799 -4.846 -2.060 1.00 0.00 C ATOM 23 CG GLN A 2 3.675 -6.120 -2.190 1.00 0.00 C ATOM 24 CD GLN A 2 2.891 -7.399 -2.516 1.00 0.00 C ATOM 25 OE1 GLN A 2 1.848 -7.368 -3.166 1.00 0.00 O ATOM 26 NE2 GLN A 2 3.405 -8.540 -2.097 1.00 0.00 N ATOM 0 H GLN A 2 1.825 -2.459 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 2 4.239 -3.540 -1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.186 -4.932 -1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.117 -4.801 -2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.419 -5.956 -2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.218 -6.269 -1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.272 -8.542 -1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.936 -9.420 -2.311 1.00 0.00 H new ATOM 35 N LEU A 3 5.804 -3.329 -3.094 1.00 0.00 N ATOM 36 CA LEU A 3 6.749 -3.196 -4.228 1.00 0.00 C ATOM 37 C LEU A 3 7.887 -4.228 -4.122 1.00 0.00 C ATOM 38 O LEU A 3 8.067 -4.871 -3.085 1.00 0.00 O ATOM 39 CB LEU A 3 7.273 -1.720 -4.342 1.00 0.00 C ATOM 40 CG LEU A 3 7.922 -1.041 -3.072 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.320 -1.612 -2.718 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.994 0.496 -3.258 1.00 0.00 C ATOM 0 H LEU A 3 6.261 -3.386 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 3 6.219 -3.415 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.011 -1.693 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.437 -1.097 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 3 7.272 -1.276 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.709 -1.102 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.236 -2.679 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.999 -1.457 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.444 0.949 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.601 0.729 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.989 0.893 -3.397 1.00 0.00 H new ATOM 54 N PHE A 4 8.652 -4.386 -5.216 1.00 0.00 N ATOM 55 CA PHE A 4 9.777 -5.345 -5.297 1.00 0.00 C ATOM 56 C PHE A 4 11.102 -4.603 -5.071 1.00 0.00 C ATOM 57 O PHE A 4 11.246 -3.457 -5.493 1.00 0.00 O ATOM 58 CB PHE A 4 9.797 -6.053 -6.685 1.00 0.00 C ATOM 59 CG PHE A 4 8.440 -6.616 -7.112 1.00 0.00 C ATOM 60 CD1 PHE A 4 8.034 -7.888 -6.710 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.573 -5.867 -7.914 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.799 -8.388 -7.084 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.341 -6.369 -8.288 1.00 0.00 C ATOM 64 CZ PHE A 4 5.956 -7.634 -7.881 1.00 0.00 C ATOM 0 H PHE A 4 8.510 -3.852 -6.074 1.00 0.00 H new ATOM 0 HA PHE A 4 9.647 -6.103 -4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.139 -5.344 -7.439 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.524 -6.865 -6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.691 -8.490 -6.100 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.870 -4.883 -8.245 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.492 -9.369 -6.753 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.678 -5.773 -8.898 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.999 -8.032 -8.185 1.00 0.00 H new ATOM 74 N VAL A 5 12.048 -5.254 -4.377 1.00 0.00 N ATOM 75 CA VAL A 5 13.432 -4.768 -4.228 1.00 0.00 C ATOM 76 C VAL A 5 14.391 -5.889 -4.678 1.00 0.00 C ATOM 77 O VAL A 5 14.626 -6.869 -3.949 1.00 0.00 O ATOM 78 CB VAL A 5 13.755 -4.295 -2.754 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.220 -3.813 -2.628 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.773 -3.185 -2.300 1.00 0.00 C ATOM 0 H VAL A 5 11.875 -6.139 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 5 13.563 -3.887 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 5 13.626 -5.154 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.411 -3.494 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.895 -4.629 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.387 -2.976 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.017 -2.877 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.858 -2.328 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.753 -3.568 -2.329 1.00 0.00 H new ATOM 90 N ARG A 6 14.895 -5.738 -5.906 1.00 0.00 N ATOM 91 CA ARG A 6 15.783 -6.702 -6.551 1.00 0.00 C ATOM 92 C ARG A 6 17.190 -6.647 -5.922 1.00 0.00 C ATOM 93 O ARG A 6 17.988 -5.751 -6.206 1.00 0.00 O ATOM 94 CB ARG A 6 15.842 -6.424 -8.075 1.00 0.00 C ATOM 95 CG ARG A 6 16.526 -7.530 -8.909 1.00 0.00 C ATOM 96 CD ARG A 6 16.552 -7.207 -10.415 1.00 0.00 C ATOM 97 NE ARG A 6 17.068 -8.333 -11.214 1.00 0.00 N ATOM 98 CZ ARG A 6 17.643 -8.225 -12.418 1.00 0.00 C ATOM 99 NH1 ARG A 6 17.885 -7.038 -12.965 1.00 0.00 N ATOM 100 NH2 ARG A 6 17.984 -9.322 -13.074 1.00 0.00 N ATOM 0 H ARG A 6 14.692 -4.926 -6.489 1.00 0.00 H new ATOM 0 HA ARG A 6 15.390 -7.707 -6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.826 -6.286 -8.445 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.371 -5.485 -8.239 1.00 0.00 H new ATOM 0 HG2 ARG A 6 17.547 -7.669 -8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.003 -8.473 -8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.545 -6.957 -10.749 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.172 -6.327 -10.586 1.00 0.00 H new ATOM 0 HE ARG A 6 16.980 -9.269 -10.818 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.632 -6.185 -12.466 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.324 -6.980 -13.884 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.808 -10.238 -12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.423 -9.252 -13.992 1.00 0.00 H new ATOM 114 N ALA A 7 17.445 -7.581 -5.014 1.00 0.00 N ATOM 115 CA ALA A 7 18.764 -7.800 -4.406 1.00 0.00 C ATOM 116 C ALA A 7 19.405 -9.043 -5.040 1.00 0.00 C ATOM 117 O ALA A 7 18.851 -9.600 -6.003 1.00 0.00 O ATOM 118 CB ALA A 7 18.623 -7.948 -2.883 1.00 0.00 C ATOM 0 H ALA A 7 16.731 -8.223 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 7 19.412 -6.943 -4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.606 -8.110 -2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.184 -7.041 -2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.979 -8.798 -2.658 1.00 0.00 H new ATOM 124 N GLN A 8 20.609 -9.420 -4.549 1.00 0.00 N ATOM 125 CA GLN A 8 21.284 -10.704 -4.888 1.00 0.00 C ATOM 126 C GLN A 8 20.295 -11.903 -4.873 1.00 0.00 C ATOM 127 O GLN A 8 20.438 -12.856 -5.644 1.00 0.00 O ATOM 128 CB GLN A 8 22.456 -10.945 -3.901 1.00 0.00 C ATOM 129 CG GLN A 8 22.045 -11.010 -2.409 1.00 0.00 C ATOM 130 CD GLN A 8 23.238 -11.111 -1.453 1.00 0.00 C ATOM 131 OE1 GLN A 8 24.289 -11.660 -1.793 1.00 0.00 O ATOM 132 NE2 GLN A 8 23.094 -10.580 -0.246 1.00 0.00 N ATOM 0 H GLN A 8 21.146 -8.842 -3.903 1.00 0.00 H new ATOM 0 HA GLN A 8 21.672 -10.629 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.951 -11.879 -4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.189 -10.148 -4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.464 -10.122 -2.161 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.393 -11.870 -2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.215 -10.131 0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 8 23.862 -10.620 0.424 1.00 0.00 H new ATOM 141 N GLU A 9 19.291 -11.827 -3.979 1.00 0.00 N ATOM 142 CA GLU A 9 18.059 -12.642 -4.036 1.00 0.00 C ATOM 143 C GLU A 9 16.853 -11.685 -4.135 1.00 0.00 C ATOM 144 O GLU A 9 16.888 -10.591 -3.556 1.00 0.00 O ATOM 145 CB GLU A 9 17.936 -13.543 -2.783 1.00 0.00 C ATOM 146 CG GLU A 9 19.128 -14.500 -2.577 1.00 0.00 C ATOM 147 CD GLU A 9 18.900 -15.526 -1.456 1.00 0.00 C ATOM 148 OE1 GLU A 9 18.685 -15.114 -0.293 1.00 0.00 O ATOM 149 OE2 GLU A 9 18.951 -16.747 -1.731 1.00 0.00 O ATOM 0 H GLU A 9 19.312 -11.188 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 9 18.090 -13.297 -4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.836 -12.910 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 9 17.021 -14.130 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.325 -15.029 -3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 9 20.019 -13.915 -2.348 1.00 0.00 H new ATOM 156 N LEU A 10 15.799 -12.084 -4.874 1.00 0.00 N ATOM 157 CA LEU A 10 14.621 -11.219 -5.114 1.00 0.00 C ATOM 158 C LEU A 10 13.798 -11.029 -3.820 1.00 0.00 C ATOM 159 O LEU A 10 13.455 -12.004 -3.137 1.00 0.00 O ATOM 160 CB LEU A 10 13.729 -11.801 -6.244 1.00 0.00 C ATOM 161 CG LEU A 10 12.436 -10.986 -6.598 1.00 0.00 C ATOM 162 CD1 LEU A 10 12.770 -9.520 -6.989 1.00 0.00 C ATOM 163 CD2 LEU A 10 11.620 -11.693 -7.714 1.00 0.00 C ATOM 0 H LEU A 10 15.737 -13.001 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 10 14.985 -10.242 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.334 -11.891 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.430 -12.810 -5.959 1.00 0.00 H new ATOM 0 HG LEU A 10 11.818 -10.948 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.849 -8.988 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.269 -9.026 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.427 -9.516 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.729 -11.107 -7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.232 -11.783 -8.611 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.325 -12.686 -7.375 1.00 0.00 H new ATOM 175 N HIS A 11 13.512 -9.750 -3.486 1.00 0.00 N ATOM 176 CA HIS A 11 12.719 -9.364 -2.297 1.00 0.00 C ATOM 177 C HIS A 11 11.439 -8.645 -2.735 1.00 0.00 C ATOM 178 O HIS A 11 11.377 -8.097 -3.843 1.00 0.00 O ATOM 179 CB HIS A 11 13.532 -8.418 -1.369 1.00 0.00 C ATOM 180 CG HIS A 11 14.862 -8.952 -0.908 1.00 0.00 C ATOM 181 ND1 HIS A 11 15.878 -8.135 -0.478 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.340 -10.215 -0.808 1.00 0.00 C ATOM 183 CE1 HIS A 11 16.910 -8.873 -0.144 1.00 0.00 C ATOM 184 NE2 HIS A 11 16.611 -10.139 -0.328 1.00 0.00 N ATOM 0 H HIS A 11 13.827 -8.952 -4.038 1.00 0.00 H new ATOM 0 HA HIS A 11 12.471 -10.273 -1.749 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.699 -7.478 -1.894 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.927 -8.190 -0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 11 14.808 -11.120 -1.063 1.00 0.00 H new ATOM 0 HE1 HIS A 11 17.854 -8.499 0.223 1.00 0.00 H new ATOM 0 HE2 HIS A 11 17.227 -10.931 -0.143 1.00 0.00 H new ATOM 193 N THR A 12 10.440 -8.644 -1.846 1.00 0.00 N ATOM 194 CA THR A 12 9.168 -7.934 -2.030 1.00 0.00 C ATOM 195 C THR A 12 8.680 -7.450 -0.650 1.00 0.00 C ATOM 196 O THR A 12 8.489 -8.269 0.258 1.00 0.00 O ATOM 197 CB THR A 12 8.094 -8.864 -2.699 1.00 0.00 C ATOM 198 OG1 THR A 12 8.630 -9.459 -3.895 1.00 0.00 O ATOM 199 CG2 THR A 12 6.801 -8.097 -3.058 1.00 0.00 C ATOM 0 H THR A 12 10.493 -9.147 -0.960 1.00 0.00 H new ATOM 0 HA THR A 12 9.318 -7.083 -2.694 1.00 0.00 H new ATOM 0 HB THR A 12 7.843 -9.635 -1.971 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.953 -10.038 -4.304 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.088 -8.781 -3.518 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.366 -7.674 -2.153 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.036 -7.294 -3.757 1.00 0.00 H new ATOM 207 N PHE A 13 8.499 -6.128 -0.493 1.00 0.00 N ATOM 208 CA PHE A 13 8.186 -5.500 0.803 1.00 0.00 C ATOM 209 C PHE A 13 6.851 -4.747 0.730 1.00 0.00 C ATOM 210 O PHE A 13 6.497 -4.177 -0.309 1.00 0.00 O ATOM 211 CB PHE A 13 9.315 -4.527 1.232 1.00 0.00 C ATOM 212 CG PHE A 13 10.660 -5.215 1.493 1.00 0.00 C ATOM 213 CD1 PHE A 13 10.814 -6.079 2.575 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.753 -5.007 0.657 1.00 0.00 C ATOM 215 CE1 PHE A 13 12.018 -6.704 2.814 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.959 -5.633 0.898 1.00 0.00 C ATOM 217 CZ PHE A 13 13.093 -6.484 1.978 1.00 0.00 C ATOM 0 H PHE A 13 8.566 -5.462 -1.263 1.00 0.00 H new ATOM 0 HA PHE A 13 8.106 -6.292 1.547 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.448 -3.774 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.005 -4.002 2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.979 -6.261 3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.656 -4.347 -0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 13 12.121 -7.369 3.659 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.799 -5.458 0.242 1.00 0.00 H new ATOM 0 HZ PHE A 13 14.036 -6.975 2.167 1.00 0.00 H new ATOM 227 N GLU A 14 6.120 -4.770 1.853 1.00 0.00 N ATOM 228 CA GLU A 14 4.911 -3.973 2.060 1.00 0.00 C ATOM 229 C GLU A 14 5.302 -2.706 2.847 1.00 0.00 C ATOM 230 O GLU A 14 5.938 -2.781 3.905 1.00 0.00 O ATOM 231 CB GLU A 14 3.833 -4.821 2.796 1.00 0.00 C ATOM 232 CG GLU A 14 4.243 -5.350 4.188 1.00 0.00 C ATOM 233 CD GLU A 14 3.171 -6.229 4.838 1.00 0.00 C ATOM 234 OE1 GLU A 14 2.272 -5.687 5.518 1.00 0.00 O ATOM 235 OE2 GLU A 14 3.200 -7.464 4.644 1.00 0.00 O ATOM 0 H GLU A 14 6.359 -5.354 2.654 1.00 0.00 H new ATOM 0 HA GLU A 14 4.473 -3.670 1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.933 -4.217 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.571 -5.671 2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.166 -5.922 4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.457 -4.505 4.842 1.00 0.00 H new ATOM 242 N VAL A 15 4.983 -1.540 2.282 1.00 0.00 N ATOM 243 CA VAL A 15 5.310 -0.221 2.856 1.00 0.00 C ATOM 244 C VAL A 15 4.086 0.705 2.768 1.00 0.00 C ATOM 245 O VAL A 15 3.054 0.349 2.172 1.00 0.00 O ATOM 246 CB VAL A 15 6.557 0.441 2.130 1.00 0.00 C ATOM 247 CG1 VAL A 15 7.862 -0.366 2.376 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.300 0.638 0.611 1.00 0.00 C ATOM 0 H VAL A 15 4.481 -1.478 1.396 1.00 0.00 H new ATOM 0 HA VAL A 15 5.579 -0.366 3.902 1.00 0.00 H new ATOM 0 HB VAL A 15 6.693 1.428 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.692 0.119 1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.070 -0.405 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.741 -1.379 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.176 1.093 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.107 -0.329 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.436 1.288 0.469 1.00 0.00 H new ATOM 258 N THR A 16 4.200 1.876 3.394 1.00 0.00 N ATOM 259 CA THR A 16 3.180 2.937 3.339 1.00 0.00 C ATOM 260 C THR A 16 3.676 4.103 2.450 1.00 0.00 C ATOM 261 O THR A 16 2.876 4.920 1.982 1.00 0.00 O ATOM 262 CB THR A 16 2.866 3.462 4.783 1.00 0.00 C ATOM 263 OG1 THR A 16 2.840 2.364 5.702 1.00 0.00 O ATOM 264 CG2 THR A 16 1.516 4.211 4.866 1.00 0.00 C ATOM 0 H THR A 16 5.011 2.123 3.962 1.00 0.00 H new ATOM 0 HA THR A 16 2.268 2.524 2.908 1.00 0.00 H new ATOM 0 HB THR A 16 3.656 4.167 5.041 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.645 2.696 6.603 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.351 4.552 5.888 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.535 5.070 4.196 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.709 3.540 4.573 1.00 0.00 H new ATOM 272 N GLY A 17 5.009 4.156 2.210 1.00 0.00 N ATOM 273 CA GLY A 17 5.653 5.267 1.496 1.00 0.00 C ATOM 274 C GLY A 17 6.375 6.227 2.440 1.00 0.00 C ATOM 275 O GLY A 17 7.200 7.037 2.005 1.00 0.00 O ATOM 0 H GLY A 17 5.659 3.429 2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.366 4.867 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.901 5.816 0.930 1.00 0.00 H new ATOM 279 N GLN A 18 6.063 6.127 3.741 1.00 0.00 N ATOM 280 CA GLN A 18 6.650 6.986 4.800 1.00 0.00 C ATOM 281 C GLN A 18 8.042 6.483 5.237 1.00 0.00 C ATOM 282 O GLN A 18 8.745 7.155 5.998 1.00 0.00 O ATOM 283 CB GLN A 18 5.688 7.025 6.010 1.00 0.00 C ATOM 284 CG GLN A 18 5.439 5.650 6.667 1.00 0.00 C ATOM 285 CD GLN A 18 4.339 5.654 7.729 1.00 0.00 C ATOM 286 OE1 GLN A 18 4.419 4.932 8.718 1.00 0.00 O ATOM 287 NE2 GLN A 18 3.267 6.405 7.502 1.00 0.00 N ATOM 0 H GLN A 18 5.393 5.446 4.098 1.00 0.00 H new ATOM 0 HA GLN A 18 6.782 7.990 4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.093 7.705 6.760 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.733 7.439 5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.177 4.931 5.891 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.367 5.304 7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.225 6.997 6.672 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.486 6.390 8.158 1.00 0.00 H new ATOM 296 N GLU A 19 8.411 5.296 4.745 1.00 0.00 N ATOM 297 CA GLU A 19 9.714 4.676 4.986 1.00 0.00 C ATOM 298 C GLU A 19 10.769 5.399 4.150 1.00 0.00 C ATOM 299 O GLU A 19 10.524 5.674 2.974 1.00 0.00 O ATOM 300 CB GLU A 19 9.688 3.161 4.592 1.00 0.00 C ATOM 301 CG GLU A 19 8.768 2.249 5.444 1.00 0.00 C ATOM 302 CD GLU A 19 7.250 2.524 5.327 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.790 2.971 4.255 1.00 0.00 O ATOM 304 OE2 GLU A 19 6.509 2.261 6.296 1.00 0.00 O ATOM 0 H GLU A 19 7.799 4.730 4.157 1.00 0.00 H new ATOM 0 HA GLU A 19 9.953 4.754 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.378 3.083 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.705 2.774 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.953 1.213 5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.057 2.350 6.490 1.00 0.00 H new ATOM 311 N THR A 20 11.916 5.725 4.756 1.00 0.00 N ATOM 312 CA THR A 20 13.063 6.241 4.013 1.00 0.00 C ATOM 313 C THR A 20 13.725 5.085 3.247 1.00 0.00 C ATOM 314 O THR A 20 13.541 3.908 3.587 1.00 0.00 O ATOM 315 CB THR A 20 14.109 6.954 4.943 1.00 0.00 C ATOM 316 OG1 THR A 20 14.669 6.020 5.874 1.00 0.00 O ATOM 317 CG2 THR A 20 13.481 8.136 5.710 1.00 0.00 C ATOM 0 H THR A 20 12.071 5.639 5.760 1.00 0.00 H new ATOM 0 HA THR A 20 12.702 6.996 3.315 1.00 0.00 H new ATOM 0 HB THR A 20 14.898 7.347 4.301 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.196 6.503 6.545 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.237 8.602 6.342 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.099 8.869 4.999 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.662 7.773 6.331 1.00 0.00 H new ATOM 325 N VAL A 21 14.483 5.430 2.207 1.00 0.00 N ATOM 326 CA VAL A 21 15.300 4.477 1.435 1.00 0.00 C ATOM 327 C VAL A 21 16.338 3.770 2.366 1.00 0.00 C ATOM 328 O VAL A 21 16.699 2.601 2.154 1.00 0.00 O ATOM 329 CB VAL A 21 15.993 5.244 0.245 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.038 4.382 -0.473 1.00 0.00 C ATOM 331 CG2 VAL A 21 14.935 5.798 -0.753 1.00 0.00 C ATOM 0 H VAL A 21 14.552 6.389 1.868 1.00 0.00 H new ATOM 0 HA VAL A 21 14.668 3.694 1.016 1.00 0.00 H new ATOM 0 HB VAL A 21 16.527 6.090 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.487 4.955 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 21 17.813 4.086 0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.558 3.492 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.440 6.323 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.353 4.972 -1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.270 6.488 -0.233 1.00 0.00 H new ATOM 341 N ALA A 22 16.725 4.492 3.443 1.00 0.00 N ATOM 342 CA ALA A 22 17.605 3.999 4.510 1.00 0.00 C ATOM 343 C ALA A 22 16.901 2.899 5.319 1.00 0.00 C ATOM 344 O ALA A 22 17.517 1.880 5.606 1.00 0.00 O ATOM 345 CB ALA A 22 18.045 5.161 5.421 1.00 0.00 C ATOM 0 H ALA A 22 16.423 5.455 3.591 1.00 0.00 H new ATOM 0 HA ALA A 22 18.498 3.567 4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.697 4.780 6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.583 5.902 4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 22 17.166 5.624 5.871 1.00 0.00 H new ATOM 351 N GLN A 23 15.601 3.109 5.653 1.00 0.00 N ATOM 352 CA GLN A 23 14.778 2.087 6.352 1.00 0.00 C ATOM 353 C GLN A 23 14.647 0.830 5.486 1.00 0.00 C ATOM 354 O GLN A 23 14.753 -0.279 5.988 1.00 0.00 O ATOM 355 CB GLN A 23 13.354 2.614 6.710 1.00 0.00 C ATOM 356 CG GLN A 23 13.331 3.801 7.694 1.00 0.00 C ATOM 357 CD GLN A 23 11.920 4.325 7.983 1.00 0.00 C ATOM 358 OE1 GLN A 23 10.951 3.570 8.000 1.00 0.00 O ATOM 359 NE2 GLN A 23 11.788 5.628 8.172 1.00 0.00 N ATOM 0 H GLN A 23 15.101 3.975 5.450 1.00 0.00 H new ATOM 0 HA GLN A 23 15.292 1.850 7.284 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.851 2.913 5.790 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.776 1.795 7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.796 3.495 8.631 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.936 4.612 7.288 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.610 6.232 8.153 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.865 6.028 8.337 1.00 0.00 H new ATOM 368 N ILE A 24 14.440 1.034 4.173 1.00 0.00 N ATOM 369 CA ILE A 24 14.271 -0.063 3.194 1.00 0.00 C ATOM 370 C ILE A 24 15.509 -0.984 3.168 1.00 0.00 C ATOM 371 O ILE A 24 15.381 -2.207 3.310 1.00 0.00 O ATOM 372 CB ILE A 24 13.962 0.498 1.745 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.630 1.318 1.747 1.00 0.00 C ATOM 374 CG2 ILE A 24 13.923 -0.624 0.659 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.406 0.534 2.207 1.00 0.00 C ATOM 0 H ILE A 24 14.385 1.964 3.757 1.00 0.00 H new ATOM 0 HA ILE A 24 13.414 -0.655 3.515 1.00 0.00 H new ATOM 0 HB ILE A 24 14.786 1.160 1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.754 2.187 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.448 1.694 0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 24 13.707 -0.182 -0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 24 14.889 -1.128 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.146 -1.346 0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.528 1.179 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.252 -0.320 1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.562 0.181 3.226 1.00 0.00 H new ATOM 387 N LYS A 25 16.714 -0.388 3.031 1.00 0.00 N ATOM 388 CA LYS A 25 17.970 -1.165 3.005 1.00 0.00 C ATOM 389 C LYS A 25 18.332 -1.702 4.405 1.00 0.00 C ATOM 390 O LYS A 25 18.987 -2.722 4.511 1.00 0.00 O ATOM 391 CB LYS A 25 19.142 -0.361 2.393 1.00 0.00 C ATOM 392 CG LYS A 25 19.595 0.879 3.183 1.00 0.00 C ATOM 393 CD LYS A 25 20.829 1.543 2.538 1.00 0.00 C ATOM 394 CE LYS A 25 21.380 2.728 3.341 1.00 0.00 C ATOM 395 NZ LYS A 25 22.698 3.167 2.810 1.00 0.00 N ATOM 0 H LYS A 25 16.842 0.620 2.938 1.00 0.00 H new ATOM 0 HA LYS A 25 17.796 -2.022 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.996 -1.029 2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 25 18.854 -0.044 1.391 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.778 1.599 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 25 19.829 0.592 4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.615 0.796 2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.566 1.885 1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.674 3.558 3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.482 2.445 4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 23.356 3.325 3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 23.081 2.432 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.580 4.052 2.276 1.00 0.00 H new ATOM 409 N ALA A 26 17.895 -1.006 5.480 1.00 0.00 N ATOM 410 CA ALA A 26 18.049 -1.484 6.876 1.00 0.00 C ATOM 411 C ALA A 26 17.227 -2.771 7.116 1.00 0.00 C ATOM 412 O ALA A 26 17.672 -3.670 7.833 1.00 0.00 O ATOM 413 CB ALA A 26 17.640 -0.388 7.876 1.00 0.00 C ATOM 0 H ALA A 26 17.428 -0.102 5.406 1.00 0.00 H new ATOM 0 HA ALA A 26 19.101 -1.720 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.761 -0.760 8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 26 18.271 0.489 7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.598 -0.115 7.711 1.00 0.00 H new ATOM 419 N HIS A 27 16.029 -2.842 6.497 1.00 0.00 N ATOM 420 CA HIS A 27 15.161 -4.040 6.539 1.00 0.00 C ATOM 421 C HIS A 27 15.838 -5.202 5.783 1.00 0.00 C ATOM 422 O HIS A 27 15.913 -6.322 6.293 1.00 0.00 O ATOM 423 CB HIS A 27 13.753 -3.740 5.940 1.00 0.00 C ATOM 424 CG HIS A 27 12.958 -2.669 6.662 1.00 0.00 C ATOM 425 ND1 HIS A 27 11.873 -2.029 6.096 1.00 0.00 N ATOM 426 CD2 HIS A 27 13.092 -2.127 7.904 1.00 0.00 C ATOM 427 CE1 HIS A 27 11.385 -1.148 6.948 1.00 0.00 C ATOM 428 NE2 HIS A 27 12.105 -1.191 8.049 1.00 0.00 N ATOM 0 H HIS A 27 15.636 -2.072 5.955 1.00 0.00 H new ATOM 0 HA HIS A 27 15.020 -4.327 7.581 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.875 -3.439 4.899 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.172 -4.662 5.939 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.839 -2.388 8.639 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.538 -0.501 6.772 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.951 -0.618 8.878 1.00 0.00 H new ATOM 437 N VAL A 28 16.370 -4.885 4.580 1.00 0.00 N ATOM 438 CA VAL A 28 17.158 -5.835 3.754 1.00 0.00 C ATOM 439 C VAL A 28 18.398 -6.335 4.543 1.00 0.00 C ATOM 440 O VAL A 28 18.757 -7.505 4.480 1.00 0.00 O ATOM 441 CB VAL A 28 17.613 -5.174 2.392 1.00 0.00 C ATOM 442 CG1 VAL A 28 18.488 -6.124 1.537 1.00 0.00 C ATOM 443 CG2 VAL A 28 16.392 -4.689 1.579 1.00 0.00 C ATOM 0 H VAL A 28 16.266 -3.965 4.153 1.00 0.00 H new ATOM 0 HA VAL A 28 16.516 -6.684 3.520 1.00 0.00 H new ATOM 0 HB VAL A 28 18.229 -4.313 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.774 -5.622 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.384 -6.394 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.922 -7.025 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.732 -4.238 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.743 -5.536 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.839 -3.950 2.159 1.00 0.00 H new ATOM 453 N ALA A 29 19.004 -5.423 5.310 1.00 0.00 N ATOM 454 CA ALA A 29 20.184 -5.696 6.148 1.00 0.00 C ATOM 455 C ALA A 29 19.870 -6.690 7.275 1.00 0.00 C ATOM 456 O ALA A 29 20.611 -7.648 7.483 1.00 0.00 O ATOM 457 CB ALA A 29 20.741 -4.386 6.723 1.00 0.00 C ATOM 0 H ALA A 29 18.685 -4.456 5.369 1.00 0.00 H new ATOM 0 HA ALA A 29 20.941 -6.156 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.613 -4.601 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.029 -3.724 5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.977 -3.901 7.331 1.00 0.00 H new ATOM 463 N SER A 30 18.765 -6.440 7.991 1.00 0.00 N ATOM 464 CA SER A 30 18.346 -7.255 9.142 1.00 0.00 C ATOM 465 C SER A 30 17.906 -8.672 8.711 1.00 0.00 C ATOM 466 O SER A 30 18.097 -9.640 9.457 1.00 0.00 O ATOM 467 CB SER A 30 17.210 -6.533 9.900 1.00 0.00 C ATOM 468 OG SER A 30 16.853 -7.223 11.088 1.00 0.00 O ATOM 0 H SER A 30 18.134 -5.665 7.788 1.00 0.00 H new ATOM 0 HA SER A 30 19.202 -7.376 9.806 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.524 -5.519 10.148 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.337 -6.447 9.253 1.00 0.00 H new ATOM 0 HG SER A 30 16.133 -6.739 11.544 1.00 0.00 H new ATOM 474 N LEU A 31 17.317 -8.788 7.505 1.00 0.00 N ATOM 475 CA LEU A 31 16.819 -10.072 6.974 1.00 0.00 C ATOM 476 C LEU A 31 17.956 -10.927 6.367 1.00 0.00 C ATOM 477 O LEU A 31 18.108 -12.107 6.707 1.00 0.00 O ATOM 478 CB LEU A 31 15.700 -9.811 5.939 1.00 0.00 C ATOM 479 CG LEU A 31 14.406 -9.127 6.494 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.395 -8.862 5.358 1.00 0.00 C ATOM 481 CD2 LEU A 31 13.768 -9.952 7.647 1.00 0.00 C ATOM 0 H LEU A 31 17.174 -7.999 6.875 1.00 0.00 H new ATOM 0 HA LEU A 31 16.407 -10.646 7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.106 -9.187 5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.420 -10.762 5.487 1.00 0.00 H new ATOM 0 HG LEU A 31 14.695 -8.164 6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.504 -8.386 5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.847 -8.206 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.119 -9.806 4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.872 -9.444 8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.501 -10.943 7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.482 -10.048 8.465 1.00 0.00 H new ATOM 493 N GLU A 32 18.749 -10.317 5.473 1.00 0.00 N ATOM 494 CA GLU A 32 19.863 -11.001 4.756 1.00 0.00 C ATOM 495 C GLU A 32 21.159 -11.036 5.592 1.00 0.00 C ATOM 496 O GLU A 32 22.170 -11.599 5.144 1.00 0.00 O ATOM 497 CB GLU A 32 20.115 -10.318 3.369 1.00 0.00 C ATOM 498 CG GLU A 32 19.084 -10.664 2.264 1.00 0.00 C ATOM 499 CD GLU A 32 17.608 -10.524 2.703 1.00 0.00 C ATOM 500 OE1 GLU A 32 17.147 -9.383 2.918 1.00 0.00 O ATOM 501 OE2 GLU A 32 16.907 -11.553 2.824 1.00 0.00 O ATOM 0 H GLU A 32 18.645 -9.335 5.219 1.00 0.00 H new ATOM 0 HA GLU A 32 19.562 -12.036 4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.122 -9.237 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.108 -10.600 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.258 -10.016 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.256 -11.687 1.931 1.00 0.00 H new ATOM 508 N GLY A 33 21.128 -10.422 6.789 1.00 0.00 N ATOM 509 CA GLY A 33 22.283 -10.397 7.692 1.00 0.00 C ATOM 510 C GLY A 33 23.430 -9.539 7.172 1.00 0.00 C ATOM 511 O GLY A 33 24.553 -9.649 7.659 1.00 0.00 O ATOM 0 H GLY A 33 20.308 -9.935 7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 33 21.968 -10.020 8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.639 -11.416 7.845 1.00 0.00 H new ATOM 515 N ILE A 34 23.141 -8.690 6.166 1.00 0.00 N ATOM 516 CA ILE A 34 24.142 -7.811 5.527 1.00 0.00 C ATOM 517 C ILE A 34 24.155 -6.432 6.231 1.00 0.00 C ATOM 518 O ILE A 34 23.393 -6.215 7.181 1.00 0.00 O ATOM 519 CB ILE A 34 23.876 -7.669 3.975 1.00 0.00 C ATOM 520 CG1 ILE A 34 22.474 -7.038 3.675 1.00 0.00 C ATOM 521 CG2 ILE A 34 24.021 -9.045 3.259 1.00 0.00 C ATOM 522 CD1 ILE A 34 22.147 -6.875 2.196 1.00 0.00 C ATOM 0 H ILE A 34 22.205 -8.594 5.772 1.00 0.00 H new ATOM 0 HA ILE A 34 25.127 -8.264 5.638 1.00 0.00 H new ATOM 0 HB ILE A 34 24.631 -6.989 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 34 21.706 -7.659 4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 34 22.422 -6.060 4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 34 23.833 -8.922 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.031 -9.428 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 34 23.301 -9.749 3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 34 21.157 -6.431 2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 34 22.888 -6.227 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 34 22.161 -7.851 1.711 1.00 0.00 H new ATOM 534 N ALA A 35 25.028 -5.514 5.788 1.00 0.00 N ATOM 535 CA ALA A 35 25.221 -4.205 6.449 1.00 0.00 C ATOM 536 C ALA A 35 24.663 -3.058 5.570 1.00 0.00 C ATOM 537 O ALA A 35 24.989 -2.973 4.386 1.00 0.00 O ATOM 538 CB ALA A 35 26.709 -4.008 6.761 1.00 0.00 C ATOM 0 H ALA A 35 25.618 -5.652 4.968 1.00 0.00 H new ATOM 0 HA ALA A 35 24.666 -4.186 7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.854 -3.044 7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 35 27.051 -4.804 7.423 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.282 -4.036 5.834 1.00 0.00 H new ATOM 544 N PRO A 36 23.812 -2.133 6.133 1.00 0.00 N ATOM 545 CA PRO A 36 23.187 -1.055 5.342 1.00 0.00 C ATOM 546 C PRO A 36 24.191 0.043 4.935 1.00 0.00 C ATOM 547 O PRO A 36 23.888 0.872 4.079 1.00 0.00 O ATOM 548 CB PRO A 36 22.051 -0.528 6.255 1.00 0.00 C ATOM 549 CG PRO A 36 22.507 -0.835 7.649 1.00 0.00 C ATOM 550 CD PRO A 36 23.418 -2.054 7.565 1.00 0.00 C ATOM 0 HA PRO A 36 22.808 -1.412 4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.896 0.542 6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.104 -1.019 6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.039 0.015 8.076 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.654 -1.035 8.298 1.00 0.00 H new ATOM 0 HD2 PRO A 36 24.290 -1.942 8.210 1.00 0.00 H new ATOM 0 HD3 PRO A 36 22.900 -2.958 7.884 1.00 0.00 H new ATOM 558 N GLU A 37 25.406 0.009 5.528 1.00 0.00 N ATOM 559 CA GLU A 37 26.471 0.981 5.232 1.00 0.00 C ATOM 560 C GLU A 37 27.160 0.692 3.887 1.00 0.00 C ATOM 561 O GLU A 37 27.752 1.605 3.309 1.00 0.00 O ATOM 562 CB GLU A 37 27.495 1.075 6.416 1.00 0.00 C ATOM 563 CG GLU A 37 28.104 -0.253 6.925 1.00 0.00 C ATOM 564 CD GLU A 37 29.132 -0.898 5.975 1.00 0.00 C ATOM 565 OE1 GLU A 37 30.217 -0.314 5.767 1.00 0.00 O ATOM 566 OE2 GLU A 37 28.854 -1.974 5.415 1.00 0.00 O ATOM 0 H GLU A 37 25.670 -0.691 6.221 1.00 0.00 H new ATOM 0 HA GLU A 37 26.002 1.960 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 37 28.313 1.726 6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 37 26.999 1.564 7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 37 28.583 -0.072 7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.296 -0.963 7.100 1.00 0.00 H new ATOM 573 N ASP A 38 27.104 -0.571 3.380 1.00 0.00 N ATOM 574 CA ASP A 38 27.736 -0.897 2.073 1.00 0.00 C ATOM 575 C ASP A 38 26.719 -0.704 0.953 1.00 0.00 C ATOM 576 O ASP A 38 27.038 -0.136 -0.103 1.00 0.00 O ATOM 577 CB ASP A 38 28.385 -2.325 2.025 1.00 0.00 C ATOM 578 CG ASP A 38 27.411 -3.515 1.852 1.00 0.00 C ATOM 579 OD1 ASP A 38 27.099 -3.889 0.695 1.00 0.00 O ATOM 580 OD2 ASP A 38 26.966 -4.092 2.862 1.00 0.00 O ATOM 0 H ASP A 38 26.643 -1.356 3.840 1.00 0.00 H new ATOM 0 HA ASP A 38 28.567 -0.205 1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 38 29.102 -2.348 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 38 28.949 -2.476 2.945 1.00 0.00 H new ATOM 585 N GLN A 39 25.480 -1.135 1.214 1.00 0.00 N ATOM 586 CA GLN A 39 24.406 -1.114 0.220 1.00 0.00 C ATOM 587 C GLN A 39 23.750 0.274 0.115 1.00 0.00 C ATOM 588 O GLN A 39 23.768 1.085 1.051 1.00 0.00 O ATOM 589 CB GLN A 39 23.334 -2.190 0.542 1.00 0.00 C ATOM 590 CG GLN A 39 22.732 -2.102 1.958 1.00 0.00 C ATOM 591 CD GLN A 39 21.644 -3.144 2.243 1.00 0.00 C ATOM 592 OE1 GLN A 39 20.894 -3.542 1.355 1.00 0.00 O ATOM 593 NE2 GLN A 39 21.561 -3.608 3.481 1.00 0.00 N ATOM 0 H GLN A 39 25.196 -1.508 2.120 1.00 0.00 H new ATOM 0 HA GLN A 39 24.858 -1.344 -0.745 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.527 -2.107 -0.186 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.780 -3.176 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.532 -2.219 2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 39 22.312 -1.106 2.101 1.00 0.00 H new ATOM 0 HE21 GLN A 39 22.196 -3.260 4.200 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.862 -4.313 3.716 1.00 0.00 H new ATOM 602 N VAL A 40 23.227 0.524 -1.080 1.00 0.00 N ATOM 603 CA VAL A 40 22.342 1.625 -1.422 1.00 0.00 C ATOM 604 C VAL A 40 21.123 0.999 -2.125 1.00 0.00 C ATOM 605 O VAL A 40 21.234 -0.095 -2.718 1.00 0.00 O ATOM 606 CB VAL A 40 23.040 2.669 -2.392 1.00 0.00 C ATOM 607 CG1 VAL A 40 24.268 3.333 -1.733 1.00 0.00 C ATOM 608 CG2 VAL A 40 23.429 2.021 -3.755 1.00 0.00 C ATOM 0 H VAL A 40 23.423 -0.074 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 40 22.064 2.172 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 40 22.306 3.450 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 40 24.717 4.041 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 40 23.956 3.860 -0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 40 24.999 2.568 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.904 2.768 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 40 24.122 1.198 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.533 1.643 -4.247 1.00 0.00 H new ATOM 618 N VAL A 41 19.962 1.653 -2.054 1.00 0.00 N ATOM 619 CA VAL A 41 18.807 1.257 -2.872 1.00 0.00 C ATOM 620 C VAL A 41 18.726 2.206 -4.079 1.00 0.00 C ATOM 621 O VAL A 41 18.864 3.424 -3.934 1.00 0.00 O ATOM 622 CB VAL A 41 17.450 1.242 -2.077 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.280 0.725 -2.947 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.565 0.414 -0.779 1.00 0.00 C ATOM 0 H VAL A 41 19.794 2.453 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 41 18.959 0.228 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 41 17.233 2.275 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.361 0.730 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.160 1.371 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.494 -0.291 -3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 41 16.610 0.425 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.832 -0.614 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.335 0.845 -0.139 1.00 0.00 H new ATOM 634 N LEU A 42 18.573 1.616 -5.269 1.00 0.00 N ATOM 635 CA LEU A 42 18.474 2.331 -6.547 1.00 0.00 C ATOM 636 C LEU A 42 17.094 2.083 -7.163 1.00 0.00 C ATOM 637 O LEU A 42 16.569 0.980 -7.069 1.00 0.00 O ATOM 638 CB LEU A 42 19.583 1.836 -7.518 1.00 0.00 C ATOM 639 CG LEU A 42 21.058 1.970 -7.011 1.00 0.00 C ATOM 640 CD1 LEU A 42 22.067 1.432 -8.058 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.391 3.431 -6.612 1.00 0.00 C ATOM 0 H LEU A 42 18.513 0.603 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 42 18.607 3.399 -6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.394 0.787 -7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.491 2.389 -8.453 1.00 0.00 H new ATOM 0 HG LEU A 42 21.151 1.355 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.082 1.540 -7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.863 0.379 -8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 42 21.967 1.998 -8.984 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.423 3.487 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.263 4.082 -7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 42 20.722 3.752 -5.814 1.00 0.00 H new ATOM 653 N LEU A 43 16.510 3.106 -7.792 1.00 0.00 N ATOM 654 CA LEU A 43 15.244 2.965 -8.525 1.00 0.00 C ATOM 655 C LEU A 43 15.578 2.640 -9.985 1.00 0.00 C ATOM 656 O LEU A 43 15.958 3.534 -10.739 1.00 0.00 O ATOM 657 CB LEU A 43 14.401 4.266 -8.422 1.00 0.00 C ATOM 658 CG LEU A 43 12.981 4.207 -9.071 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.148 3.038 -8.495 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.236 5.554 -8.915 1.00 0.00 C ATOM 0 H LEU A 43 16.896 4.050 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 43 14.646 2.162 -8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.288 4.521 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.960 5.077 -8.889 1.00 0.00 H new ATOM 0 HG LEU A 43 13.114 4.024 -10.137 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.166 3.024 -8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.659 2.095 -8.692 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.032 3.169 -7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.251 5.481 -9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.124 5.787 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.807 6.344 -9.402 1.00 0.00 H new ATOM 672 N ALA A 44 15.501 1.342 -10.345 1.00 0.00 N ATOM 673 CA ALA A 44 15.837 0.838 -11.703 1.00 0.00 C ATOM 674 C ALA A 44 17.312 1.130 -12.097 1.00 0.00 C ATOM 675 O ALA A 44 17.653 1.145 -13.286 1.00 0.00 O ATOM 676 CB ALA A 44 14.852 1.401 -12.758 1.00 0.00 C ATOM 0 H ALA A 44 15.203 0.607 -9.703 1.00 0.00 H new ATOM 0 HA ALA A 44 15.731 -0.247 -11.677 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.117 1.019 -13.744 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.837 1.091 -12.510 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.908 2.490 -12.764 1.00 0.00 H new ATOM 682 N GLY A 45 18.181 1.325 -11.078 1.00 0.00 N ATOM 683 CA GLY A 45 19.596 1.664 -11.288 1.00 0.00 C ATOM 684 C GLY A 45 19.905 3.153 -11.077 1.00 0.00 C ATOM 685 O GLY A 45 21.074 3.525 -10.961 1.00 0.00 O ATOM 0 H GLY A 45 17.917 1.251 -10.096 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.208 1.074 -10.606 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.883 1.381 -12.301 1.00 0.00 H new ATOM 689 N ALA A 46 18.857 4.006 -11.034 1.00 0.00 N ATOM 690 CA ALA A 46 18.991 5.466 -10.800 1.00 0.00 C ATOM 691 C ALA A 46 19.157 5.747 -9.282 1.00 0.00 C ATOM 692 O ALA A 46 18.562 5.036 -8.468 1.00 0.00 O ATOM 693 CB ALA A 46 17.772 6.213 -11.386 1.00 0.00 C ATOM 0 H ALA A 46 17.891 3.703 -11.161 1.00 0.00 H new ATOM 0 HA ALA A 46 19.882 5.834 -11.309 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.881 7.283 -11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.713 6.027 -12.458 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.861 5.856 -10.905 1.00 0.00 H new ATOM 699 N PRO A 47 19.949 6.794 -8.872 1.00 0.00 N ATOM 700 CA PRO A 47 20.320 7.009 -7.449 1.00 0.00 C ATOM 701 C PRO A 47 19.142 7.516 -6.578 1.00 0.00 C ATOM 702 O PRO A 47 18.547 8.561 -6.860 1.00 0.00 O ATOM 703 CB PRO A 47 21.457 8.066 -7.548 1.00 0.00 C ATOM 704 CG PRO A 47 21.116 8.861 -8.772 1.00 0.00 C ATOM 705 CD PRO A 47 20.519 7.867 -9.749 1.00 0.00 C ATOM 0 HA PRO A 47 20.619 6.084 -6.956 1.00 0.00 H new ATOM 0 HB2 PRO A 47 21.492 8.697 -6.660 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.434 7.592 -7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 47 20.407 9.656 -8.539 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.003 9.337 -9.190 1.00 0.00 H new ATOM 0 HD2 PRO A 47 19.749 8.328 -10.367 1.00 0.00 H new ATOM 0 HD3 PRO A 47 21.275 7.469 -10.426 1.00 0.00 H new ATOM 713 N LEU A 48 18.789 6.742 -5.538 1.00 0.00 N ATOM 714 CA LEU A 48 17.835 7.177 -4.506 1.00 0.00 C ATOM 715 C LEU A 48 18.606 7.768 -3.325 1.00 0.00 C ATOM 716 O LEU A 48 19.675 7.260 -2.952 1.00 0.00 O ATOM 717 CB LEU A 48 16.950 5.997 -4.026 1.00 0.00 C ATOM 718 CG LEU A 48 15.932 5.435 -5.062 1.00 0.00 C ATOM 719 CD1 LEU A 48 15.161 4.220 -4.489 1.00 0.00 C ATOM 720 CD2 LEU A 48 14.962 6.544 -5.545 1.00 0.00 C ATOM 0 H LEU A 48 19.155 5.802 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 48 17.178 7.933 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.604 5.183 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.398 6.320 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 48 16.494 5.086 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.458 3.850 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.866 3.430 -4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.615 4.524 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.262 6.125 -6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.410 6.941 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.531 7.346 -6.014 1.00 0.00 H new ATOM 732 N GLU A 49 18.057 8.843 -2.753 1.00 0.00 N ATOM 733 CA GLU A 49 18.600 9.476 -1.549 1.00 0.00 C ATOM 734 C GLU A 49 18.141 8.655 -0.336 1.00 0.00 C ATOM 735 O GLU A 49 16.934 8.492 -0.135 1.00 0.00 O ATOM 736 CB GLU A 49 18.099 10.938 -1.449 1.00 0.00 C ATOM 737 CG GLU A 49 18.209 11.746 -2.759 1.00 0.00 C ATOM 738 CD GLU A 49 17.723 13.190 -2.609 1.00 0.00 C ATOM 739 OE1 GLU A 49 16.492 13.419 -2.643 1.00 0.00 O ATOM 740 OE2 GLU A 49 18.560 14.098 -2.437 1.00 0.00 O ATOM 0 H GLU A 49 17.220 9.300 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 49 19.689 9.501 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.057 10.930 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.667 11.451 -0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.247 11.750 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 49 17.627 11.251 -3.536 1.00 0.00 H new ATOM 747 N ASP A 50 19.100 8.132 0.446 1.00 0.00 N ATOM 748 CA ASP A 50 18.811 7.184 1.539 1.00 0.00 C ATOM 749 C ASP A 50 17.935 7.835 2.639 1.00 0.00 C ATOM 750 O ASP A 50 16.991 7.228 3.134 1.00 0.00 O ATOM 751 CB ASP A 50 20.119 6.595 2.129 1.00 0.00 C ATOM 752 CG ASP A 50 20.971 7.626 2.893 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.334 8.675 2.308 1.00 0.00 O ATOM 754 OD2 ASP A 50 21.286 7.401 4.081 1.00 0.00 O ATOM 0 H ASP A 50 20.091 8.351 0.341 1.00 0.00 H new ATOM 0 HA ASP A 50 18.238 6.358 1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.867 5.775 2.801 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.715 6.172 1.320 1.00 0.00 H new ATOM 759 N GLU A 51 18.212 9.102 2.950 1.00 0.00 N ATOM 760 CA GLU A 51 17.509 9.851 4.012 1.00 0.00 C ATOM 761 C GLU A 51 16.166 10.439 3.512 1.00 0.00 C ATOM 762 O GLU A 51 15.427 11.052 4.290 1.00 0.00 O ATOM 763 CB GLU A 51 18.464 10.934 4.616 1.00 0.00 C ATOM 764 CG GLU A 51 19.355 11.709 3.605 1.00 0.00 C ATOM 765 CD GLU A 51 18.589 12.658 2.670 1.00 0.00 C ATOM 766 OE1 GLU A 51 18.329 13.815 3.062 1.00 0.00 O ATOM 767 OE2 GLU A 51 18.253 12.254 1.539 1.00 0.00 O ATOM 0 H GLU A 51 18.932 9.647 2.475 1.00 0.00 H new ATOM 0 HA GLU A 51 17.242 9.161 4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.859 11.657 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.115 10.449 5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.094 12.286 4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.904 10.989 2.999 1.00 0.00 H new ATOM 774 N ALA A 52 15.864 10.249 2.214 1.00 0.00 N ATOM 775 CA ALA A 52 14.570 10.630 1.613 1.00 0.00 C ATOM 776 C ALA A 52 13.557 9.480 1.738 1.00 0.00 C ATOM 777 O ALA A 52 13.926 8.314 1.560 1.00 0.00 O ATOM 778 CB ALA A 52 14.751 11.018 0.141 1.00 0.00 C ATOM 0 H ALA A 52 16.512 9.826 1.550 1.00 0.00 H new ATOM 0 HA ALA A 52 14.185 11.494 2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.786 11.295 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.436 11.863 0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.160 10.172 -0.411 1.00 0.00 H new ATOM 784 N THR A 53 12.284 9.817 2.043 1.00 0.00 N ATOM 785 CA THR A 53 11.185 8.832 2.108 1.00 0.00 C ATOM 786 C THR A 53 10.779 8.384 0.696 1.00 0.00 C ATOM 787 O THR A 53 11.121 9.041 -0.290 1.00 0.00 O ATOM 788 CB THR A 53 9.941 9.404 2.854 1.00 0.00 C ATOM 789 OG1 THR A 53 9.454 10.567 2.174 1.00 0.00 O ATOM 790 CG2 THR A 53 10.268 9.755 4.316 1.00 0.00 C ATOM 0 H THR A 53 11.992 10.772 2.249 1.00 0.00 H new ATOM 0 HA THR A 53 11.553 7.973 2.669 1.00 0.00 H new ATOM 0 HB THR A 53 9.172 8.632 2.857 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.672 10.919 2.648 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.377 10.151 4.803 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.600 8.859 4.840 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.059 10.505 4.342 1.00 0.00 H new ATOM 798 N LEU A 54 10.033 7.271 0.616 1.00 0.00 N ATOM 799 CA LEU A 54 9.539 6.711 -0.657 1.00 0.00 C ATOM 800 C LEU A 54 8.507 7.656 -1.306 1.00 0.00 C ATOM 801 O LEU A 54 8.375 7.696 -2.537 1.00 0.00 O ATOM 802 CB LEU A 54 8.932 5.306 -0.413 1.00 0.00 C ATOM 803 CG LEU A 54 9.915 4.220 0.136 1.00 0.00 C ATOM 804 CD1 LEU A 54 9.194 2.871 0.314 1.00 0.00 C ATOM 805 CD2 LEU A 54 11.181 4.076 -0.754 1.00 0.00 C ATOM 0 H LEU A 54 9.753 6.730 1.434 1.00 0.00 H new ATOM 0 HA LEU A 54 10.376 6.612 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.104 5.407 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.512 4.946 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 54 10.257 4.553 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.897 2.131 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.371 2.989 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.803 2.538 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.835 3.311 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.886 3.788 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.711 5.028 -0.789 1.00 0.00 H new ATOM 817 N GLY A 55 7.796 8.422 -0.452 1.00 0.00 N ATOM 818 CA GLY A 55 6.857 9.448 -0.901 1.00 0.00 C ATOM 819 C GLY A 55 7.576 10.606 -1.593 1.00 0.00 C ATOM 820 O GLY A 55 7.137 11.067 -2.656 1.00 0.00 O ATOM 0 H GLY A 55 7.863 8.340 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.135 9.006 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.295 9.826 -0.047 1.00 0.00 H new ATOM 824 N GLN A 56 8.703 11.059 -1.001 1.00 0.00 N ATOM 825 CA GLN A 56 9.535 12.143 -1.578 1.00 0.00 C ATOM 826 C GLN A 56 10.247 11.669 -2.853 1.00 0.00 C ATOM 827 O GLN A 56 10.378 12.432 -3.814 1.00 0.00 O ATOM 828 CB GLN A 56 10.562 12.679 -0.540 1.00 0.00 C ATOM 829 CG GLN A 56 9.942 13.346 0.710 1.00 0.00 C ATOM 830 CD GLN A 56 9.141 14.637 0.442 1.00 0.00 C ATOM 831 OE1 GLN A 56 8.557 14.849 -0.624 1.00 0.00 O ATOM 832 NE2 GLN A 56 9.096 15.518 1.429 1.00 0.00 N ATOM 0 H GLN A 56 9.060 10.690 -0.120 1.00 0.00 H new ATOM 0 HA GLN A 56 8.870 12.964 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.194 11.852 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.212 13.402 -1.034 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.285 12.626 1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.742 13.575 1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.584 15.328 2.304 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.573 16.386 1.314 1.00 0.00 H new ATOM 841 N CYS A 57 10.685 10.401 -2.852 1.00 0.00 N ATOM 842 CA CYS A 57 11.266 9.744 -4.037 1.00 0.00 C ATOM 843 C CYS A 57 10.213 9.596 -5.158 1.00 0.00 C ATOM 844 O CYS A 57 10.564 9.497 -6.335 1.00 0.00 O ATOM 845 CB CYS A 57 11.854 8.366 -3.646 1.00 0.00 C ATOM 846 SG CYS A 57 13.255 8.467 -2.501 1.00 0.00 S ATOM 0 H CYS A 57 10.647 9.800 -2.029 1.00 0.00 H new ATOM 0 HA CYS A 57 12.072 10.370 -4.420 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.069 7.762 -3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.172 7.847 -4.550 1.00 0.00 H new ATOM 0 HG CYS A 57 12.819 8.724 -1.303 1.00 0.00 H new ATOM 852 N GLY A 58 8.925 9.597 -4.770 1.00 0.00 N ATOM 853 CA GLY A 58 7.815 9.529 -5.722 1.00 0.00 C ATOM 854 C GLY A 58 7.666 8.159 -6.351 1.00 0.00 C ATOM 855 O GLY A 58 7.199 8.033 -7.489 1.00 0.00 O ATOM 0 H GLY A 58 8.632 9.645 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.888 9.793 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.969 10.270 -6.507 1.00 0.00 H new ATOM 859 N VAL A 59 8.086 7.134 -5.602 1.00 0.00 N ATOM 860 CA VAL A 59 7.974 5.732 -6.021 1.00 0.00 C ATOM 861 C VAL A 59 6.648 5.159 -5.481 1.00 0.00 C ATOM 862 O VAL A 59 6.123 5.651 -4.472 1.00 0.00 O ATOM 863 CB VAL A 59 9.221 4.899 -5.535 1.00 0.00 C ATOM 864 CG1 VAL A 59 9.343 4.868 -3.999 1.00 0.00 C ATOM 865 CG2 VAL A 59 9.224 3.472 -6.120 1.00 0.00 C ATOM 0 H VAL A 59 8.515 7.254 -4.684 1.00 0.00 H new ATOM 0 HA VAL A 59 7.965 5.668 -7.109 1.00 0.00 H new ATOM 0 HB VAL A 59 10.101 5.416 -5.918 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.217 4.282 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.450 5.885 -3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.448 4.415 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.100 2.933 -5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.321 2.948 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.253 3.525 -7.208 1.00 0.00 H new ATOM 875 N GLU A 60 6.104 4.134 -6.160 1.00 0.00 N ATOM 876 CA GLU A 60 4.773 3.566 -5.859 1.00 0.00 C ATOM 877 C GLU A 60 4.831 2.027 -5.806 1.00 0.00 C ATOM 878 O GLU A 60 5.916 1.432 -5.831 1.00 0.00 O ATOM 879 CB GLU A 60 3.761 4.071 -6.927 1.00 0.00 C ATOM 880 CG GLU A 60 4.141 3.746 -8.394 1.00 0.00 C ATOM 881 CD GLU A 60 3.320 4.538 -9.424 1.00 0.00 C ATOM 882 OE1 GLU A 60 3.543 5.760 -9.548 1.00 0.00 O ATOM 883 OE2 GLU A 60 2.426 3.967 -10.078 1.00 0.00 O ATOM 0 H GLU A 60 6.576 3.672 -6.938 1.00 0.00 H new ATOM 0 HA GLU A 60 4.442 3.899 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.785 3.635 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.657 5.151 -6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.200 3.958 -8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.001 2.680 -8.571 1.00 0.00 H new ATOM 890 N ALA A 61 3.651 1.390 -5.701 1.00 0.00 N ATOM 891 CA ALA A 61 3.526 -0.072 -5.633 1.00 0.00 C ATOM 892 C ALA A 61 3.783 -0.735 -7.002 1.00 0.00 C ATOM 893 O ALA A 61 3.674 -0.092 -8.052 1.00 0.00 O ATOM 894 CB ALA A 61 2.146 -0.448 -5.085 1.00 0.00 C ATOM 0 H ALA A 61 2.756 1.879 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 61 4.291 -0.449 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.057 -1.533 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.025 -0.029 -4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.373 -0.050 -5.742 1.00 0.00 H new ATOM 900 N LEU A 62 4.156 -2.034 -6.943 1.00 0.00 N ATOM 901 CA LEU A 62 4.524 -2.894 -8.104 1.00 0.00 C ATOM 902 C LEU A 62 5.758 -2.365 -8.859 1.00 0.00 C ATOM 903 O LEU A 62 6.055 -2.823 -9.967 1.00 0.00 O ATOM 904 CB LEU A 62 3.321 -3.143 -9.082 1.00 0.00 C ATOM 905 CG LEU A 62 2.141 -4.041 -8.556 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.658 -5.379 -7.967 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.239 -3.290 -7.554 1.00 0.00 C ATOM 0 H LEU A 62 4.213 -2.535 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 62 4.793 -3.861 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.909 -2.174 -9.364 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.713 -3.599 -9.991 1.00 0.00 H new ATOM 0 HG LEU A 62 1.521 -4.283 -9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.814 -5.972 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.193 -5.933 -8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.331 -5.174 -7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.439 -3.950 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.832 -2.974 -6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.808 -2.414 -8.039 1.00 0.00 H new ATOM 919 N THR A 63 6.492 -1.436 -8.233 1.00 0.00 N ATOM 920 CA THR A 63 7.718 -0.863 -8.793 1.00 0.00 C ATOM 921 C THR A 63 8.923 -1.666 -8.276 1.00 0.00 C ATOM 922 O THR A 63 8.912 -2.147 -7.137 1.00 0.00 O ATOM 923 CB THR A 63 7.846 0.641 -8.406 1.00 0.00 C ATOM 924 OG1 THR A 63 6.640 1.337 -8.773 1.00 0.00 O ATOM 925 CG2 THR A 63 9.039 1.320 -9.097 1.00 0.00 C ATOM 0 H THR A 63 6.248 -1.060 -7.317 1.00 0.00 H new ATOM 0 HA THR A 63 7.686 -0.921 -9.881 1.00 0.00 H new ATOM 0 HB THR A 63 8.008 0.686 -7.329 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.200 1.677 -7.966 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.086 2.367 -8.796 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.962 0.817 -8.808 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.916 1.259 -10.178 1.00 0.00 H new ATOM 933 N THR A 64 9.949 -1.820 -9.120 1.00 0.00 N ATOM 934 CA THR A 64 11.140 -2.607 -8.792 1.00 0.00 C ATOM 935 C THR A 64 12.326 -1.673 -8.500 1.00 0.00 C ATOM 936 O THR A 64 12.853 -0.992 -9.392 1.00 0.00 O ATOM 937 CB THR A 64 11.501 -3.612 -9.928 1.00 0.00 C ATOM 938 OG1 THR A 64 10.358 -4.424 -10.222 1.00 0.00 O ATOM 939 CG2 THR A 64 12.682 -4.519 -9.534 1.00 0.00 C ATOM 0 H THR A 64 9.976 -1.402 -10.050 1.00 0.00 H new ATOM 0 HA THR A 64 10.918 -3.192 -7.900 1.00 0.00 H new ATOM 0 HB THR A 64 11.797 -3.037 -10.805 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.581 -5.056 -10.937 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.903 -5.205 -10.352 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.559 -3.905 -9.328 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.421 -5.089 -8.643 1.00 0.00 H new ATOM 947 N LEU A 65 12.684 -1.615 -7.224 1.00 0.00 N ATOM 948 CA LEU A 65 13.907 -0.975 -6.741 1.00 0.00 C ATOM 949 C LEU A 65 15.042 -2.023 -6.767 1.00 0.00 C ATOM 950 O LEU A 65 14.809 -3.169 -7.149 1.00 0.00 O ATOM 951 CB LEU A 65 13.678 -0.390 -5.313 1.00 0.00 C ATOM 952 CG LEU A 65 12.661 0.809 -5.189 1.00 0.00 C ATOM 953 CD1 LEU A 65 11.208 0.407 -5.550 1.00 0.00 C ATOM 954 CD2 LEU A 65 12.714 1.449 -3.777 1.00 0.00 C ATOM 0 H LEU A 65 12.121 -2.020 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 65 14.187 -0.139 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.332 -1.197 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.641 -0.060 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 65 12.977 1.552 -5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.554 1.273 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.175 0.049 -6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.872 -0.384 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.002 2.272 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.459 0.699 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.719 1.826 -3.586 1.00 0.00 H new ATOM 966 N GLU A 66 16.258 -1.639 -6.374 1.00 0.00 N ATOM 967 CA GLU A 66 17.446 -2.515 -6.453 1.00 0.00 C ATOM 968 C GLU A 66 18.349 -2.292 -5.232 1.00 0.00 C ATOM 969 O GLU A 66 18.324 -1.227 -4.644 1.00 0.00 O ATOM 970 CB GLU A 66 18.220 -2.233 -7.775 1.00 0.00 C ATOM 971 CG GLU A 66 19.445 -3.138 -8.006 1.00 0.00 C ATOM 972 CD GLU A 66 20.232 -2.785 -9.272 1.00 0.00 C ATOM 973 OE1 GLU A 66 21.116 -1.902 -9.208 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.988 -3.404 -10.330 1.00 0.00 O ATOM 0 H GLU A 66 16.455 -0.714 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 66 17.127 -3.557 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.534 -2.351 -8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.548 -1.193 -7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.108 -3.067 -7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.115 -4.175 -8.070 1.00 0.00 H new ATOM 981 N VAL A 67 19.125 -3.320 -4.857 1.00 0.00 N ATOM 982 CA VAL A 67 20.191 -3.220 -3.840 1.00 0.00 C ATOM 983 C VAL A 67 21.551 -3.323 -4.553 1.00 0.00 C ATOM 984 O VAL A 67 21.756 -4.221 -5.378 1.00 0.00 O ATOM 985 CB VAL A 67 20.054 -4.345 -2.738 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.265 -4.370 -1.769 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.729 -4.181 -1.954 1.00 0.00 C ATOM 0 H VAL A 67 19.032 -4.255 -5.253 1.00 0.00 H new ATOM 0 HA VAL A 67 20.106 -2.263 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 67 20.040 -5.303 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 67 21.124 -5.159 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 67 22.178 -4.560 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.345 -3.409 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.653 -4.965 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.713 -3.206 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.887 -4.257 -2.642 1.00 0.00 H new ATOM 997 N ALA A 68 22.470 -2.398 -4.228 1.00 0.00 N ATOM 998 CA ALA A 68 23.814 -2.347 -4.829 1.00 0.00 C ATOM 999 C ALA A 68 24.843 -1.926 -3.773 1.00 0.00 C ATOM 1000 O ALA A 68 24.649 -0.917 -3.101 1.00 0.00 O ATOM 1001 CB ALA A 68 23.826 -1.369 -6.021 1.00 0.00 C ATOM 0 H ALA A 68 22.302 -1.664 -3.540 1.00 0.00 H new ATOM 0 HA ALA A 68 24.079 -3.339 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 68 24.824 -1.339 -6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.111 -1.703 -6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.551 -0.372 -5.677 1.00 0.00 H new ATOM 1007 N GLY A 69 25.920 -2.713 -3.610 1.00 0.00 N ATOM 1008 CA GLY A 69 27.009 -2.364 -2.694 1.00 0.00 C ATOM 1009 C GLY A 69 27.868 -1.240 -3.269 1.00 0.00 C ATOM 1010 O GLY A 69 28.793 -1.497 -4.048 1.00 0.00 O ATOM 0 H GLY A 69 26.056 -3.595 -4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.596 -2.056 -1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.628 -3.242 -2.508 1.00 0.00 H new ATOM 1014 N ARG A 70 27.535 0.019 -2.925 1.00 0.00 N ATOM 1015 CA ARG A 70 28.207 1.217 -3.490 1.00 0.00 C ATOM 1016 C ARG A 70 28.603 2.230 -2.404 1.00 0.00 C ATOM 1017 O ARG A 70 29.642 2.894 -2.544 1.00 0.00 O ATOM 1018 CB ARG A 70 27.307 1.887 -4.586 1.00 0.00 C ATOM 1019 CG ARG A 70 27.403 1.229 -5.985 1.00 0.00 C ATOM 1020 CD ARG A 70 28.814 1.378 -6.584 1.00 0.00 C ATOM 1021 NE ARG A 70 28.933 0.742 -7.912 1.00 0.00 N ATOM 1022 CZ ARG A 70 29.655 1.211 -8.944 1.00 0.00 C ATOM 1023 NH1 ARG A 70 30.295 2.374 -8.860 1.00 0.00 N ATOM 1024 NH2 ARG A 70 29.745 0.496 -10.055 1.00 0.00 N ATOM 0 H ARG A 70 26.799 0.239 -2.254 1.00 0.00 H new ATOM 0 HA ARG A 70 29.132 0.880 -3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 70 26.269 1.857 -4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 70 27.583 2.938 -4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 70 27.149 0.172 -5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 70 26.673 1.685 -6.654 1.00 0.00 H new ATOM 0 HD2 ARG A 70 29.060 2.437 -6.668 1.00 0.00 H new ATOM 0 HD3 ARG A 70 29.542 0.934 -5.905 1.00 0.00 H new ATOM 0 HE ARG A 70 28.423 -0.129 -8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 70 30.242 2.924 -8.003 1.00 0.00 H new ATOM 0 HH12 ARG A 70 30.839 2.715 -9.653 1.00 0.00 H new ATOM 0 HH21 ARG A 70 29.268 -0.403 -10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 70 30.291 0.845 -10.843 1.00 0.00 H new ATOM 1038 N MET A 71 27.773 2.371 -1.347 1.00 0.00 N ATOM 1039 CA MET A 71 28.033 3.337 -0.254 1.00 0.00 C ATOM 1040 C MET A 71 29.379 3.028 0.450 1.00 0.00 C ATOM 1041 O MET A 71 30.217 3.922 0.599 1.00 0.00 O ATOM 1042 CB MET A 71 26.862 3.343 0.767 1.00 0.00 C ATOM 1043 CG MET A 71 26.976 4.417 1.861 1.00 0.00 C ATOM 1044 SD MET A 71 27.120 6.101 1.208 1.00 0.00 S ATOM 1045 CE MET A 71 25.552 6.323 0.360 1.00 0.00 C ATOM 0 H MET A 71 26.917 1.829 -1.227 1.00 0.00 H new ATOM 0 HA MET A 71 28.104 4.332 -0.693 1.00 0.00 H new ATOM 0 HB2 MET A 71 25.927 3.490 0.227 1.00 0.00 H new ATOM 0 HB3 MET A 71 26.805 2.363 1.242 1.00 0.00 H new ATOM 0 HG2 MET A 71 26.100 4.360 2.508 1.00 0.00 H new ATOM 0 HG3 MET A 71 27.845 4.201 2.482 1.00 0.00 H new ATOM 0 HE1 MET A 71 25.456 7.360 0.039 1.00 0.00 H new ATOM 0 HE2 MET A 71 25.513 5.669 -0.511 1.00 0.00 H new ATOM 0 HE3 MET A 71 24.734 6.075 1.037 1.00 0.00 H new