USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 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 20 THR OG1 : rot 180:sc= 0.501 USER MOD Set 1.2: A 23 GLN : amide:sc= 0.549 X(o=1.1,f=0.88) USER MOD Single : A 1 MET CE :methyl 149:sc= -0.254 (180deg=-1.87!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 12 THR OG1 : rot -82:sc= 0.795 USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00267 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= 0.205 (180deg=0.191) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.477 K(o=-0.48,f=-3.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 56 GLN : amide:sc= -0.0737 X(o=-0.074,f=-0.26) USER MOD Single : A 57 CYS SG : rot 80:sc= 0.567 USER MOD Single : A 63 THR OG1 : rot 99:sc= 0.0196 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0545 USER MOD Single : A 71 MET CE :methyl -139:sc= -0.0585 (180deg=-0.657) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.944 -0.668 0.454 1.00 0.00 N ATOM 2 CA MET A 1 1.987 -0.389 -0.563 1.00 0.00 C ATOM 3 C MET A 1 3.003 -1.541 -0.574 1.00 0.00 C ATOM 4 O MET A 1 3.978 -1.530 0.175 1.00 0.00 O ATOM 5 CB MET A 1 2.660 0.980 -0.269 1.00 0.00 C ATOM 6 CG MET A 1 3.769 1.414 -1.241 1.00 0.00 C ATOM 7 SD MET A 1 4.471 3.008 -0.768 1.00 0.00 S ATOM 8 CE MET A 1 5.907 3.112 -1.824 1.00 0.00 C ATOM 0 H1 MET A 1 0.253 0.109 0.465 1.00 0.00 H new ATOM 0 H2 MET A 1 0.460 -1.558 0.219 1.00 0.00 H new ATOM 0 H3 MET A 1 1.387 -0.751 1.391 1.00 0.00 H new ATOM 0 HA MET A 1 1.540 -0.324 -1.555 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.887 1.748 -0.266 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.080 0.947 0.736 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.555 0.659 -1.259 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.365 1.478 -2.251 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.107 4.156 -2.064 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.768 2.686 -1.310 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.723 2.557 -2.744 1.00 0.00 H new ATOM 18 N GLN A 2 2.717 -2.578 -1.372 1.00 0.00 N ATOM 19 CA GLN A 2 3.603 -3.749 -1.527 1.00 0.00 C ATOM 20 C GLN A 2 4.381 -3.614 -2.845 1.00 0.00 C ATOM 21 O GLN A 2 3.772 -3.469 -3.909 1.00 0.00 O ATOM 22 CB GLN A 2 2.770 -5.063 -1.526 1.00 0.00 C ATOM 23 CG GLN A 2 3.613 -6.357 -1.615 1.00 0.00 C ATOM 24 CD GLN A 2 2.796 -7.645 -1.788 1.00 0.00 C ATOM 25 OE1 GLN A 2 1.711 -7.642 -2.372 1.00 0.00 O ATOM 26 NE2 GLN A 2 3.322 -8.761 -1.304 1.00 0.00 N ATOM 0 H GLN A 2 1.865 -2.633 -1.931 1.00 0.00 H new ATOM 0 HA GLN A 2 4.302 -3.789 -0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.170 -5.097 -0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.075 -5.039 -2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.305 -6.267 -2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.216 -6.444 -0.711 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.222 -8.735 -0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.827 -9.646 -1.411 1.00 0.00 H new ATOM 35 N LEU A 3 5.717 -3.663 -2.768 1.00 0.00 N ATOM 36 CA LEU A 3 6.607 -3.509 -3.937 1.00 0.00 C ATOM 37 C LEU A 3 7.755 -4.535 -3.884 1.00 0.00 C ATOM 38 O LEU A 3 7.979 -5.172 -2.857 1.00 0.00 O ATOM 39 CB LEU A 3 7.124 -2.031 -4.032 1.00 0.00 C ATOM 40 CG LEU A 3 7.630 -1.321 -2.714 1.00 0.00 C ATOM 41 CD1 LEU A 3 8.905 -1.972 -2.119 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.861 0.188 -2.970 1.00 0.00 C ATOM 0 H LEU A 3 6.218 -3.811 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 3 6.045 -3.714 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.941 -2.012 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.319 -1.425 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 3 6.843 -1.449 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.199 -1.437 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.701 -3.014 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.713 -1.923 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.209 0.663 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.610 0.314 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.926 0.651 -3.286 1.00 0.00 H new ATOM 54 N PHE A 4 8.471 -4.695 -5.007 1.00 0.00 N ATOM 55 CA PHE A 4 9.633 -5.604 -5.106 1.00 0.00 C ATOM 56 C PHE A 4 10.945 -4.823 -4.949 1.00 0.00 C ATOM 57 O PHE A 4 10.983 -3.594 -5.088 1.00 0.00 O ATOM 58 CB PHE A 4 9.634 -6.372 -6.453 1.00 0.00 C ATOM 59 CG PHE A 4 8.380 -7.204 -6.698 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.262 -6.657 -7.335 1.00 0.00 C ATOM 61 CD2 PHE A 4 8.316 -8.535 -6.281 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.131 -7.419 -7.559 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.184 -9.297 -6.507 1.00 0.00 C ATOM 64 CZ PHE A 4 6.091 -8.739 -7.140 1.00 0.00 C ATOM 0 H PHE A 4 8.264 -4.200 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 4 9.553 -6.330 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.746 -5.656 -7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.504 -7.028 -6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.283 -5.626 -7.656 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.162 -8.976 -5.775 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.278 -6.986 -8.061 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.155 -10.329 -6.188 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.204 -9.332 -7.309 1.00 0.00 H new ATOM 74 N VAL A 5 12.017 -5.562 -4.637 1.00 0.00 N ATOM 75 CA VAL A 5 13.388 -5.051 -4.573 1.00 0.00 C ATOM 76 C VAL A 5 14.312 -6.031 -5.327 1.00 0.00 C ATOM 77 O VAL A 5 14.434 -7.217 -4.960 1.00 0.00 O ATOM 78 CB VAL A 5 13.886 -4.838 -3.086 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.414 -4.594 -3.020 1.00 0.00 C ATOM 80 CG2 VAL A 5 13.130 -3.666 -2.404 1.00 0.00 C ATOM 0 H VAL A 5 11.951 -6.556 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 5 13.414 -4.069 -5.044 1.00 0.00 H new ATOM 0 HB VAL A 5 13.667 -5.758 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.715 -4.453 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.938 -5.454 -3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.665 -3.703 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.493 -3.543 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.303 -2.747 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.062 -3.884 -2.385 1.00 0.00 H new ATOM 90 N ARG A 6 14.919 -5.512 -6.401 1.00 0.00 N ATOM 91 CA ARG A 6 15.928 -6.202 -7.202 1.00 0.00 C ATOM 92 C ARG A 6 17.239 -6.306 -6.389 1.00 0.00 C ATOM 93 O ARG A 6 18.016 -5.355 -6.315 1.00 0.00 O ATOM 94 CB ARG A 6 16.130 -5.417 -8.535 1.00 0.00 C ATOM 95 CG ARG A 6 16.932 -6.138 -9.632 1.00 0.00 C ATOM 96 CD ARG A 6 17.058 -5.290 -10.915 1.00 0.00 C ATOM 97 NE ARG A 6 17.573 -6.072 -12.049 1.00 0.00 N ATOM 98 CZ ARG A 6 18.131 -5.562 -13.158 1.00 0.00 C ATOM 99 NH1 ARG A 6 18.403 -4.266 -13.267 1.00 0.00 N ATOM 100 NH2 ARG A 6 18.455 -6.372 -14.147 1.00 0.00 N ATOM 0 H ARG A 6 14.713 -4.574 -6.744 1.00 0.00 H new ATOM 0 HA ARG A 6 15.608 -7.215 -7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.148 -5.166 -8.937 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.631 -4.476 -8.306 1.00 0.00 H new ATOM 0 HG2 ARG A 6 17.927 -6.375 -9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.448 -7.085 -9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.083 -4.878 -11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.721 -4.446 -10.727 1.00 0.00 H new ATOM 0 HE ARG A 6 17.500 -7.088 -11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.187 -3.633 -12.497 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.827 -3.904 -14.121 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.281 -7.374 -14.064 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.880 -5.997 -14.995 1.00 0.00 H new ATOM 114 N ALA A 7 17.401 -7.438 -5.703 1.00 0.00 N ATOM 115 CA ALA A 7 18.616 -7.787 -4.936 1.00 0.00 C ATOM 116 C ALA A 7 19.227 -9.067 -5.523 1.00 0.00 C ATOM 117 O ALA A 7 18.711 -9.577 -6.526 1.00 0.00 O ATOM 118 CB ALA A 7 18.280 -7.935 -3.438 1.00 0.00 C ATOM 0 H ALA A 7 16.681 -8.159 -5.659 1.00 0.00 H new ATOM 0 HA ALA A 7 19.354 -6.989 -5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.184 -8.192 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 7 17.879 -6.994 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.539 -8.723 -3.308 1.00 0.00 H new ATOM 124 N GLN A 8 20.355 -9.552 -4.934 1.00 0.00 N ATOM 125 CA GLN A 8 20.994 -10.856 -5.314 1.00 0.00 C ATOM 126 C GLN A 8 19.934 -11.978 -5.465 1.00 0.00 C ATOM 127 O GLN A 8 20.043 -12.858 -6.329 1.00 0.00 O ATOM 128 CB GLN A 8 22.073 -11.275 -4.270 1.00 0.00 C ATOM 129 CG GLN A 8 21.546 -11.469 -2.832 1.00 0.00 C ATOM 130 CD GLN A 8 22.597 -12.031 -1.867 1.00 0.00 C ATOM 131 OE1 GLN A 8 23.348 -11.288 -1.226 1.00 0.00 O ATOM 132 NE2 GLN A 8 22.648 -13.349 -1.748 1.00 0.00 N ATOM 0 H GLN A 8 20.847 -9.060 -4.189 1.00 0.00 H new ATOM 0 HA GLN A 8 21.481 -10.712 -6.278 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.535 -12.205 -4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.857 -10.517 -4.255 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.190 -10.512 -2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 8 20.689 -12.142 -2.855 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.014 -13.935 -2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 8 23.321 -13.778 -1.113 1.00 0.00 H new ATOM 141 N GLU A 9 18.903 -11.906 -4.609 1.00 0.00 N ATOM 142 CA GLU A 9 17.659 -12.674 -4.733 1.00 0.00 C ATOM 143 C GLU A 9 16.490 -11.673 -4.622 1.00 0.00 C ATOM 144 O GLU A 9 16.550 -10.752 -3.794 1.00 0.00 O ATOM 145 CB GLU A 9 17.591 -13.762 -3.627 1.00 0.00 C ATOM 146 CG GLU A 9 18.686 -14.847 -3.746 1.00 0.00 C ATOM 147 CD GLU A 9 18.668 -15.856 -2.590 1.00 0.00 C ATOM 148 OE1 GLU A 9 17.869 -16.814 -2.632 1.00 0.00 O ATOM 149 OE2 GLU A 9 19.439 -15.680 -1.624 1.00 0.00 O ATOM 0 H GLU A 9 18.914 -11.296 -3.792 1.00 0.00 H new ATOM 0 HA GLU A 9 17.608 -13.193 -5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.675 -13.281 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.613 -14.242 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.558 -15.381 -4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 9 19.663 -14.365 -3.783 1.00 0.00 H new ATOM 156 N LEU A 10 15.461 -11.824 -5.477 1.00 0.00 N ATOM 157 CA LEU A 10 14.301 -10.914 -5.509 1.00 0.00 C ATOM 158 C LEU A 10 13.477 -11.032 -4.217 1.00 0.00 C ATOM 159 O LEU A 10 13.110 -12.136 -3.810 1.00 0.00 O ATOM 160 CB LEU A 10 13.410 -11.227 -6.736 1.00 0.00 C ATOM 161 CG LEU A 10 14.065 -11.012 -8.136 1.00 0.00 C ATOM 162 CD1 LEU A 10 13.116 -11.471 -9.268 1.00 0.00 C ATOM 163 CD2 LEU A 10 14.493 -9.535 -8.341 1.00 0.00 C ATOM 0 H LEU A 10 15.410 -12.578 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 10 14.672 -9.892 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.083 -12.265 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.516 -10.607 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 10 14.964 -11.627 -8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 10 13.596 -11.310 -10.233 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.891 -12.531 -9.147 1.00 0.00 H new ATOM 0 HD13 LEU A 10 12.191 -10.896 -9.223 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.945 -9.421 -9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.618 -8.889 -8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.216 -9.256 -7.575 1.00 0.00 H new ATOM 175 N HIS A 11 13.196 -9.888 -3.585 1.00 0.00 N ATOM 176 CA HIS A 11 12.398 -9.820 -2.341 1.00 0.00 C ATOM 177 C HIS A 11 11.208 -8.880 -2.536 1.00 0.00 C ATOM 178 O HIS A 11 11.197 -8.069 -3.461 1.00 0.00 O ATOM 179 CB HIS A 11 13.269 -9.367 -1.138 1.00 0.00 C ATOM 180 CG HIS A 11 14.270 -10.399 -0.691 1.00 0.00 C ATOM 181 ND1 HIS A 11 13.907 -11.556 -0.041 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.617 -10.465 -0.832 1.00 0.00 C ATOM 183 CE1 HIS A 11 14.974 -12.280 0.203 1.00 0.00 C ATOM 184 NE2 HIS A 11 16.031 -11.644 -0.265 1.00 0.00 N ATOM 0 H HIS A 11 13.513 -8.977 -3.917 1.00 0.00 H new ATOM 0 HA HIS A 11 12.024 -10.819 -2.116 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.799 -8.454 -1.408 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.616 -9.121 -0.301 1.00 0.00 H new ATOM 0 HD2 HIS A 11 16.248 -9.726 -1.304 1.00 0.00 H new ATOM 0 HE1 HIS A 11 14.985 -13.237 0.703 1.00 0.00 H new ATOM 0 HE2 HIS A 11 16.995 -11.974 -0.214 1.00 0.00 H new ATOM 193 N THR A 12 10.198 -9.017 -1.666 1.00 0.00 N ATOM 194 CA THR A 12 8.956 -8.236 -1.720 1.00 0.00 C ATOM 195 C THR A 12 8.672 -7.650 -0.324 1.00 0.00 C ATOM 196 O THR A 12 8.629 -8.395 0.666 1.00 0.00 O ATOM 197 CB THR A 12 7.771 -9.137 -2.194 1.00 0.00 C ATOM 198 OG1 THR A 12 8.186 -9.907 -3.332 1.00 0.00 O ATOM 199 CG2 THR A 12 6.531 -8.312 -2.583 1.00 0.00 C ATOM 0 H THR A 12 10.222 -9.683 -0.894 1.00 0.00 H new ATOM 0 HA THR A 12 9.064 -7.421 -2.436 1.00 0.00 H new ATOM 0 HB THR A 12 7.499 -9.784 -1.360 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.105 -9.362 -4.143 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.734 -8.982 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.193 -7.735 -1.722 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.786 -7.634 -3.397 1.00 0.00 H new ATOM 207 N PHE A 13 8.498 -6.316 -0.258 1.00 0.00 N ATOM 208 CA PHE A 13 8.360 -5.558 0.999 1.00 0.00 C ATOM 209 C PHE A 13 7.016 -4.815 1.037 1.00 0.00 C ATOM 210 O PHE A 13 6.612 -4.170 0.060 1.00 0.00 O ATOM 211 CB PHE A 13 9.530 -4.541 1.148 1.00 0.00 C ATOM 212 CG PHE A 13 10.892 -5.203 1.355 1.00 0.00 C ATOM 213 CD1 PHE A 13 11.356 -5.492 2.639 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.705 -5.537 0.275 1.00 0.00 C ATOM 215 CE1 PHE A 13 12.583 -6.099 2.834 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.930 -6.143 0.469 1.00 0.00 C ATOM 217 CZ PHE A 13 13.372 -6.421 1.748 1.00 0.00 C ATOM 0 H PHE A 13 8.449 -5.727 -1.089 1.00 0.00 H new ATOM 0 HA PHE A 13 8.394 -6.264 1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.571 -3.914 0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.323 -3.883 1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 13 10.747 -5.238 3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.372 -5.319 -0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 13 12.924 -6.321 3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.544 -6.400 -0.381 1.00 0.00 H new ATOM 0 HZ PHE A 13 14.333 -6.890 1.898 1.00 0.00 H new ATOM 227 N GLU A 14 6.313 -4.941 2.175 1.00 0.00 N ATOM 228 CA GLU A 14 5.122 -4.146 2.488 1.00 0.00 C ATOM 229 C GLU A 14 5.574 -2.897 3.279 1.00 0.00 C ATOM 230 O GLU A 14 6.003 -2.988 4.433 1.00 0.00 O ATOM 231 CB GLU A 14 4.086 -5.016 3.266 1.00 0.00 C ATOM 232 CG GLU A 14 4.646 -5.778 4.490 1.00 0.00 C ATOM 233 CD GLU A 14 3.618 -6.710 5.154 1.00 0.00 C ATOM 234 OE1 GLU A 14 3.517 -7.891 4.745 1.00 0.00 O ATOM 235 OE2 GLU A 14 2.902 -6.268 6.078 1.00 0.00 O ATOM 0 H GLU A 14 6.561 -5.605 2.908 1.00 0.00 H new ATOM 0 HA GLU A 14 4.619 -3.813 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.274 -4.371 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.653 -5.740 2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.510 -6.366 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.000 -5.057 5.227 1.00 0.00 H new ATOM 242 N VAL A 15 5.551 -1.739 2.606 1.00 0.00 N ATOM 243 CA VAL A 15 6.078 -0.465 3.121 1.00 0.00 C ATOM 244 C VAL A 15 4.952 0.577 3.254 1.00 0.00 C ATOM 245 O VAL A 15 3.846 0.384 2.739 1.00 0.00 O ATOM 246 CB VAL A 15 7.215 0.070 2.172 1.00 0.00 C ATOM 247 CG1 VAL A 15 8.429 -0.895 2.152 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.671 0.288 0.740 1.00 0.00 C ATOM 0 H VAL A 15 5.158 -1.658 1.668 1.00 0.00 H new ATOM 0 HA VAL A 15 6.498 -0.637 4.112 1.00 0.00 H new ATOM 0 HB VAL A 15 7.555 1.029 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.198 -0.499 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.834 -0.991 3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.110 -1.874 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.471 0.658 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.297 -0.657 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.861 1.017 0.766 1.00 0.00 H new ATOM 258 N THR A 16 5.256 1.686 3.945 1.00 0.00 N ATOM 259 CA THR A 16 4.269 2.728 4.277 1.00 0.00 C ATOM 260 C THR A 16 4.344 3.958 3.337 1.00 0.00 C ATOM 261 O THR A 16 3.516 4.871 3.459 1.00 0.00 O ATOM 262 CB THR A 16 4.469 3.182 5.759 1.00 0.00 C ATOM 263 OG1 THR A 16 5.840 3.586 5.961 1.00 0.00 O ATOM 264 CG2 THR A 16 4.103 2.068 6.763 1.00 0.00 C ATOM 0 H THR A 16 6.194 1.887 4.290 1.00 0.00 H new ATOM 0 HA THR A 16 3.281 2.288 4.141 1.00 0.00 H new ATOM 0 HB THR A 16 3.798 4.022 5.940 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.963 3.872 6.890 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.258 2.429 7.780 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.057 1.789 6.632 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.735 1.198 6.587 1.00 0.00 H new ATOM 272 N GLY A 17 5.330 3.988 2.403 1.00 0.00 N ATOM 273 CA GLY A 17 5.519 5.137 1.491 1.00 0.00 C ATOM 274 C GLY A 17 6.319 6.257 2.138 1.00 0.00 C ATOM 275 O GLY A 17 7.324 6.728 1.589 1.00 0.00 O ATOM 0 H GLY A 17 6.001 3.232 2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.030 4.802 0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.545 5.519 1.183 1.00 0.00 H new ATOM 279 N GLN A 18 5.862 6.674 3.333 1.00 0.00 N ATOM 280 CA GLN A 18 6.602 7.582 4.227 1.00 0.00 C ATOM 281 C GLN A 18 7.893 6.908 4.758 1.00 0.00 C ATOM 282 O GLN A 18 8.738 7.562 5.375 1.00 0.00 O ATOM 283 CB GLN A 18 5.679 8.032 5.393 1.00 0.00 C ATOM 284 CG GLN A 18 5.134 6.882 6.261 1.00 0.00 C ATOM 285 CD GLN A 18 4.230 7.346 7.406 1.00 0.00 C ATOM 286 OE1 GLN A 18 3.012 7.451 7.261 1.00 0.00 O ATOM 287 NE2 GLN A 18 4.826 7.632 8.552 1.00 0.00 N ATOM 0 H GLN A 18 4.958 6.386 3.709 1.00 0.00 H new ATOM 0 HA GLN A 18 6.907 8.464 3.664 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.232 8.721 6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.837 8.587 4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.576 6.193 5.626 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.973 6.324 6.676 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.838 7.534 8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.274 7.950 9.348 1.00 0.00 H new ATOM 296 N GLU A 19 8.007 5.587 4.521 1.00 0.00 N ATOM 297 CA GLU A 19 9.225 4.808 4.763 1.00 0.00 C ATOM 298 C GLU A 19 10.422 5.397 3.968 1.00 0.00 C ATOM 299 O GLU A 19 10.310 5.605 2.756 1.00 0.00 O ATOM 300 CB GLU A 19 8.965 3.332 4.342 1.00 0.00 C ATOM 301 CG GLU A 19 10.092 2.346 4.706 1.00 0.00 C ATOM 302 CD GLU A 19 10.255 2.151 6.224 1.00 0.00 C ATOM 303 OE1 GLU A 19 10.796 3.052 6.894 1.00 0.00 O ATOM 304 OE2 GLU A 19 9.829 1.106 6.758 1.00 0.00 O ATOM 0 H GLU A 19 7.240 5.027 4.150 1.00 0.00 H new ATOM 0 HA GLU A 19 9.479 4.850 5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.041 2.993 4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.807 3.299 3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.887 1.381 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.032 2.707 4.289 1.00 0.00 H new ATOM 311 N THR A 20 11.543 5.683 4.657 1.00 0.00 N ATOM 312 CA THR A 20 12.737 6.277 4.025 1.00 0.00 C ATOM 313 C THR A 20 13.628 5.189 3.420 1.00 0.00 C ATOM 314 O THR A 20 13.553 4.025 3.824 1.00 0.00 O ATOM 315 CB THR A 20 13.575 7.108 5.041 1.00 0.00 C ATOM 316 OG1 THR A 20 14.025 6.259 6.115 1.00 0.00 O ATOM 317 CG2 THR A 20 12.778 8.295 5.612 1.00 0.00 C ATOM 0 H THR A 20 11.647 5.511 5.657 1.00 0.00 H new ATOM 0 HA THR A 20 12.380 6.942 3.239 1.00 0.00 H new ATOM 0 HB THR A 20 14.433 7.514 4.506 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.553 6.787 6.750 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.401 8.847 6.316 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.477 8.956 4.799 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.891 7.924 6.126 1.00 0.00 H new ATOM 325 N VAL A 21 14.500 5.598 2.484 1.00 0.00 N ATOM 326 CA VAL A 21 15.465 4.706 1.809 1.00 0.00 C ATOM 327 C VAL A 21 16.499 4.116 2.810 1.00 0.00 C ATOM 328 O VAL A 21 16.930 2.975 2.651 1.00 0.00 O ATOM 329 CB VAL A 21 16.166 5.479 0.625 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.380 4.718 0.046 1.00 0.00 C ATOM 331 CG2 VAL A 21 15.138 5.814 -0.491 1.00 0.00 C ATOM 0 H VAL A 21 14.558 6.567 2.169 1.00 0.00 H new ATOM 0 HA VAL A 21 14.923 3.857 1.393 1.00 0.00 H new ATOM 0 HB VAL A 21 16.554 6.409 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.821 5.299 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.122 4.567 0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.054 3.750 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.639 6.347 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.707 4.891 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.346 6.440 -0.080 1.00 0.00 H new ATOM 341 N ALA A 22 16.840 4.884 3.864 1.00 0.00 N ATOM 342 CA ALA A 22 17.788 4.452 4.919 1.00 0.00 C ATOM 343 C ALA A 22 17.201 3.284 5.732 1.00 0.00 C ATOM 344 O ALA A 22 17.880 2.303 6.034 1.00 0.00 O ATOM 345 CB ALA A 22 18.127 5.632 5.855 1.00 0.00 C ATOM 0 H ALA A 22 16.468 5.822 4.011 1.00 0.00 H new ATOM 0 HA ALA A 22 18.704 4.112 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.824 5.298 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.583 6.436 5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 22 17.214 5.996 6.326 1.00 0.00 H new ATOM 351 N GLN A 23 15.906 3.398 6.053 1.00 0.00 N ATOM 352 CA GLN A 23 15.171 2.362 6.802 1.00 0.00 C ATOM 353 C GLN A 23 14.854 1.144 5.904 1.00 0.00 C ATOM 354 O GLN A 23 14.769 0.014 6.401 1.00 0.00 O ATOM 355 CB GLN A 23 13.902 2.965 7.433 1.00 0.00 C ATOM 356 CG GLN A 23 14.191 4.004 8.541 1.00 0.00 C ATOM 357 CD GLN A 23 12.928 4.640 9.130 1.00 0.00 C ATOM 358 OE1 GLN A 23 12.340 4.111 10.073 1.00 0.00 O ATOM 359 NE2 GLN A 23 12.524 5.797 8.620 1.00 0.00 N ATOM 0 H GLN A 23 15.337 4.207 5.803 1.00 0.00 H new ATOM 0 HA GLN A 23 15.803 1.997 7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.307 3.437 6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.297 2.160 7.851 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.752 3.522 9.342 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.827 4.790 8.134 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.029 6.214 7.838 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.708 6.269 9.010 1.00 0.00 H new ATOM 368 N ILE A 24 14.689 1.387 4.577 1.00 0.00 N ATOM 369 CA ILE A 24 14.639 0.304 3.557 1.00 0.00 C ATOM 370 C ILE A 24 15.928 -0.524 3.628 1.00 0.00 C ATOM 371 O ILE A 24 15.856 -1.741 3.739 1.00 0.00 O ATOM 372 CB ILE A 24 14.423 0.858 2.078 1.00 0.00 C ATOM 373 CG1 ILE A 24 13.004 1.489 1.914 1.00 0.00 C ATOM 374 CG2 ILE A 24 14.668 -0.231 0.978 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.852 0.507 2.055 1.00 0.00 C ATOM 0 H ILE A 24 14.588 2.324 4.188 1.00 0.00 H new ATOM 0 HA ILE A 24 13.776 -0.321 3.786 1.00 0.00 H new ATOM 0 HB ILE A 24 15.173 1.635 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.884 2.278 2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.943 1.962 0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 24 14.506 0.205 -0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 24 15.692 -0.596 1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.976 -1.060 1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.907 1.034 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.941 -0.270 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.881 0.051 3.045 1.00 0.00 H new ATOM 387 N LYS A 25 17.099 0.167 3.608 1.00 0.00 N ATOM 388 CA LYS A 25 18.422 -0.483 3.713 1.00 0.00 C ATOM 389 C LYS A 25 18.526 -1.310 4.989 1.00 0.00 C ATOM 390 O LYS A 25 18.997 -2.437 4.960 1.00 0.00 O ATOM 391 CB LYS A 25 19.577 0.553 3.696 1.00 0.00 C ATOM 392 CG LYS A 25 19.718 1.348 2.388 1.00 0.00 C ATOM 393 CD LYS A 25 20.996 2.213 2.367 1.00 0.00 C ATOM 394 CE LYS A 25 21.132 3.048 1.090 1.00 0.00 C ATOM 395 NZ LYS A 25 22.465 3.706 0.997 1.00 0.00 N ATOM 0 H LYS A 25 17.147 1.182 3.519 1.00 0.00 H new ATOM 0 HA LYS A 25 18.517 -1.133 2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.427 1.255 4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.515 0.032 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.735 0.657 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.846 1.988 2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.992 2.878 3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.868 1.566 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.981 2.409 0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.350 3.807 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.482 4.341 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.642 4.256 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.203 2.981 0.890 1.00 0.00 H new ATOM 409 N ALA A 26 18.083 -0.698 6.097 1.00 0.00 N ATOM 410 CA ALA A 26 18.069 -1.310 7.438 1.00 0.00 C ATOM 411 C ALA A 26 17.287 -2.639 7.458 1.00 0.00 C ATOM 412 O ALA A 26 17.783 -3.640 7.973 1.00 0.00 O ATOM 413 CB ALA A 26 17.489 -0.315 8.465 1.00 0.00 C ATOM 0 H ALA A 26 17.717 0.254 6.088 1.00 0.00 H new ATOM 0 HA ALA A 26 19.098 -1.544 7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.482 -0.775 9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 26 18.104 0.585 8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.470 -0.051 8.181 1.00 0.00 H new ATOM 419 N HIS A 27 16.068 -2.648 6.878 1.00 0.00 N ATOM 420 CA HIS A 27 15.205 -3.849 6.874 1.00 0.00 C ATOM 421 C HIS A 27 15.767 -4.935 5.923 1.00 0.00 C ATOM 422 O HIS A 27 15.786 -6.118 6.286 1.00 0.00 O ATOM 423 CB HIS A 27 13.739 -3.487 6.513 1.00 0.00 C ATOM 424 CG HIS A 27 12.759 -4.629 6.693 1.00 0.00 C ATOM 425 ND1 HIS A 27 11.674 -4.835 5.868 1.00 0.00 N ATOM 426 CD2 HIS A 27 12.709 -5.622 7.621 1.00 0.00 C ATOM 427 CE1 HIS A 27 11.009 -5.900 6.276 1.00 0.00 C ATOM 428 NE2 HIS A 27 11.616 -6.394 7.333 1.00 0.00 N ATOM 0 H HIS A 27 15.660 -1.840 6.408 1.00 0.00 H new ATOM 0 HA HIS A 27 15.202 -4.261 7.883 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.420 -2.648 7.131 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.703 -3.151 5.477 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.403 -5.773 8.434 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.116 -6.299 5.818 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.320 -7.219 7.854 1.00 0.00 H new ATOM 437 N VAL A 28 16.258 -4.509 4.734 1.00 0.00 N ATOM 438 CA VAL A 28 16.897 -5.417 3.746 1.00 0.00 C ATOM 439 C VAL A 28 18.128 -6.087 4.394 1.00 0.00 C ATOM 440 O VAL A 28 18.340 -7.286 4.259 1.00 0.00 O ATOM 441 CB VAL A 28 17.330 -4.654 2.422 1.00 0.00 C ATOM 442 CG1 VAL A 28 18.140 -5.566 1.460 1.00 0.00 C ATOM 443 CG2 VAL A 28 16.103 -4.066 1.685 1.00 0.00 C ATOM 0 H VAL A 28 16.224 -3.535 4.433 1.00 0.00 H new ATOM 0 HA VAL A 28 16.164 -6.170 3.459 1.00 0.00 H new ATOM 0 HB VAL A 28 17.978 -3.835 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.414 -5.002 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.043 -5.913 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.532 -6.424 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.433 -3.550 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.421 -4.872 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.589 -3.361 2.339 1.00 0.00 H new ATOM 453 N ALA A 29 18.892 -5.279 5.154 1.00 0.00 N ATOM 454 CA ALA A 29 20.107 -5.713 5.860 1.00 0.00 C ATOM 455 C ALA A 29 19.791 -6.737 6.954 1.00 0.00 C ATOM 456 O ALA A 29 20.504 -7.721 7.102 1.00 0.00 O ATOM 457 CB ALA A 29 20.820 -4.496 6.461 1.00 0.00 C ATOM 0 H ALA A 29 18.677 -4.292 5.295 1.00 0.00 H new ATOM 0 HA ALA A 29 20.762 -6.198 5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 29 21.719 -4.822 6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.094 -3.804 5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.154 -3.995 7.164 1.00 0.00 H new ATOM 463 N SER A 30 18.709 -6.480 7.701 1.00 0.00 N ATOM 464 CA SER A 30 18.246 -7.357 8.787 1.00 0.00 C ATOM 465 C SER A 30 17.856 -8.756 8.258 1.00 0.00 C ATOM 466 O SER A 30 18.163 -9.768 8.894 1.00 0.00 O ATOM 467 CB SER A 30 17.054 -6.684 9.510 1.00 0.00 C ATOM 468 OG SER A 30 16.620 -7.424 10.645 1.00 0.00 O ATOM 0 H SER A 30 18.126 -5.653 7.569 1.00 0.00 H new ATOM 0 HA SER A 30 19.062 -7.502 9.495 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.342 -5.680 9.823 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.224 -6.575 8.812 1.00 0.00 H new ATOM 0 HG SER A 30 15.868 -6.961 11.070 1.00 0.00 H new ATOM 474 N LEU A 31 17.196 -8.797 7.083 1.00 0.00 N ATOM 475 CA LEU A 31 16.718 -10.065 6.480 1.00 0.00 C ATOM 476 C LEU A 31 17.859 -10.812 5.753 1.00 0.00 C ATOM 477 O LEU A 31 17.969 -12.044 5.837 1.00 0.00 O ATOM 478 CB LEU A 31 15.534 -9.798 5.509 1.00 0.00 C ATOM 479 CG LEU A 31 14.319 -9.005 6.105 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.129 -8.974 5.117 1.00 0.00 C ATOM 481 CD2 LEU A 31 13.888 -9.559 7.490 1.00 0.00 C ATOM 0 H LEU A 31 16.980 -7.968 6.530 1.00 0.00 H new ATOM 0 HA LEU A 31 16.366 -10.704 7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.914 -9.248 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.170 -10.757 5.140 1.00 0.00 H new ATOM 0 HG LEU A 31 14.651 -7.978 6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.303 -8.417 5.560 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.438 -8.490 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.806 -9.993 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.044 -8.981 7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.596 -10.604 7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.721 -9.481 8.188 1.00 0.00 H new ATOM 493 N GLU A 32 18.711 -10.043 5.054 1.00 0.00 N ATOM 494 CA GLU A 32 19.838 -10.580 4.248 1.00 0.00 C ATOM 495 C GLU A 32 21.104 -10.796 5.100 1.00 0.00 C ATOM 496 O GLU A 32 22.092 -11.356 4.608 1.00 0.00 O ATOM 497 CB GLU A 32 20.119 -9.652 3.013 1.00 0.00 C ATOM 498 CG GLU A 32 19.185 -9.882 1.789 1.00 0.00 C ATOM 499 CD GLU A 32 17.670 -9.870 2.109 1.00 0.00 C ATOM 500 OE1 GLU A 32 17.037 -8.798 2.049 1.00 0.00 O ATOM 501 OE2 GLU A 32 17.107 -10.954 2.401 1.00 0.00 O ATOM 0 H GLU A 32 18.643 -9.026 5.027 1.00 0.00 H new ATOM 0 HA GLU A 32 19.546 -11.562 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.027 -8.613 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.151 -9.798 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.390 -9.112 1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.437 -10.840 1.334 1.00 0.00 H new ATOM 508 N GLY A 33 21.053 -10.363 6.372 1.00 0.00 N ATOM 509 CA GLY A 33 22.147 -10.566 7.328 1.00 0.00 C ATOM 510 C GLY A 33 23.389 -9.721 7.029 1.00 0.00 C ATOM 511 O GLY A 33 24.484 -10.042 7.498 1.00 0.00 O ATOM 0 H GLY A 33 20.253 -9.864 6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 33 21.790 -10.330 8.331 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.426 -11.620 7.329 1.00 0.00 H new ATOM 515 N ILE A 34 23.209 -8.639 6.252 1.00 0.00 N ATOM 516 CA ILE A 34 24.304 -7.746 5.807 1.00 0.00 C ATOM 517 C ILE A 34 24.236 -6.402 6.549 1.00 0.00 C ATOM 518 O ILE A 34 23.387 -6.203 7.425 1.00 0.00 O ATOM 519 CB ILE A 34 24.262 -7.519 4.242 1.00 0.00 C ATOM 520 CG1 ILE A 34 22.936 -6.807 3.798 1.00 0.00 C ATOM 521 CG2 ILE A 34 24.445 -8.861 3.487 1.00 0.00 C ATOM 522 CD1 ILE A 34 22.824 -6.528 2.305 1.00 0.00 C ATOM 0 H ILE A 34 22.292 -8.353 5.909 1.00 0.00 H new ATOM 0 HA ILE A 34 25.250 -8.231 6.048 1.00 0.00 H new ATOM 0 HB ILE A 34 25.092 -6.861 3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 34 22.091 -7.425 4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 34 22.850 -5.863 4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 34 24.413 -8.681 2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.407 -9.300 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 34 23.644 -9.547 3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 34 21.874 -6.035 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 34 23.644 -5.882 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 34 22.873 -7.468 1.755 1.00 0.00 H new ATOM 534 N ALA A 35 25.171 -5.498 6.220 1.00 0.00 N ATOM 535 CA ALA A 35 25.215 -4.142 6.784 1.00 0.00 C ATOM 536 C ALA A 35 24.403 -3.162 5.893 1.00 0.00 C ATOM 537 O ALA A 35 24.550 -3.189 4.667 1.00 0.00 O ATOM 538 CB ALA A 35 26.679 -3.684 6.910 1.00 0.00 C ATOM 0 H ALA A 35 25.919 -5.688 5.554 1.00 0.00 H new ATOM 0 HA ALA A 35 24.763 -4.148 7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.711 -2.678 7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 35 27.219 -4.367 7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.146 -3.682 5.925 1.00 0.00 H new ATOM 544 N PRO A 36 23.533 -2.270 6.490 1.00 0.00 N ATOM 545 CA PRO A 36 22.754 -1.266 5.713 1.00 0.00 C ATOM 546 C PRO A 36 23.657 -0.175 5.092 1.00 0.00 C ATOM 547 O PRO A 36 23.292 0.450 4.089 1.00 0.00 O ATOM 548 CB PRO A 36 21.776 -0.678 6.764 1.00 0.00 C ATOM 549 CG PRO A 36 22.456 -0.883 8.082 1.00 0.00 C ATOM 550 CD PRO A 36 23.237 -2.175 7.951 1.00 0.00 C ATOM 0 HA PRO A 36 22.243 -1.707 4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.585 0.379 6.578 1.00 0.00 H new ATOM 0 HB3 PRO A 36 20.812 -1.186 6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.118 -0.049 8.314 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.728 -0.947 8.891 1.00 0.00 H new ATOM 0 HD2 PRO A 36 24.152 -2.150 8.543 1.00 0.00 H new ATOM 0 HD3 PRO A 36 22.656 -3.030 8.297 1.00 0.00 H new ATOM 558 N GLU A 37 24.835 0.038 5.713 1.00 0.00 N ATOM 559 CA GLU A 37 25.878 0.961 5.212 1.00 0.00 C ATOM 560 C GLU A 37 26.507 0.444 3.897 1.00 0.00 C ATOM 561 O GLU A 37 26.914 1.237 3.042 1.00 0.00 O ATOM 562 CB GLU A 37 26.985 1.158 6.299 1.00 0.00 C ATOM 563 CG GLU A 37 27.673 -0.151 6.739 1.00 0.00 C ATOM 564 CD GLU A 37 28.805 0.037 7.769 1.00 0.00 C ATOM 565 OE1 GLU A 37 29.969 0.225 7.359 1.00 0.00 O ATOM 566 OE2 GLU A 37 28.537 -0.041 8.984 1.00 0.00 O ATOM 0 H GLU A 37 25.093 -0.428 6.583 1.00 0.00 H new ATOM 0 HA GLU A 37 25.405 1.920 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 37 27.741 1.842 5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 37 26.541 1.634 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.921 -0.818 7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 37 28.079 -0.647 5.858 1.00 0.00 H new ATOM 573 N ASP A 38 26.536 -0.897 3.743 1.00 0.00 N ATOM 574 CA ASP A 38 27.263 -1.589 2.657 1.00 0.00 C ATOM 575 C ASP A 38 26.461 -1.593 1.339 1.00 0.00 C ATOM 576 O ASP A 38 27.017 -1.802 0.257 1.00 0.00 O ATOM 577 CB ASP A 38 27.574 -3.037 3.127 1.00 0.00 C ATOM 578 CG ASP A 38 28.426 -3.846 2.132 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.635 -3.562 2.022 1.00 0.00 O ATOM 580 OD2 ASP A 38 27.896 -4.760 1.462 1.00 0.00 O ATOM 0 H ASP A 38 26.051 -1.535 4.374 1.00 0.00 H new ATOM 0 HA ASP A 38 28.190 -1.056 2.448 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.094 -2.994 4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 38 26.635 -3.563 3.297 1.00 0.00 H new ATOM 585 N GLN A 39 25.150 -1.356 1.437 1.00 0.00 N ATOM 586 CA GLN A 39 24.237 -1.404 0.284 1.00 0.00 C ATOM 587 C GLN A 39 23.789 0.007 -0.117 1.00 0.00 C ATOM 588 O GLN A 39 23.841 0.953 0.690 1.00 0.00 O ATOM 589 CB GLN A 39 23.018 -2.295 0.629 1.00 0.00 C ATOM 590 CG GLN A 39 22.158 -1.792 1.801 1.00 0.00 C ATOM 591 CD GLN A 39 21.005 -2.733 2.149 1.00 0.00 C ATOM 592 OE1 GLN A 39 19.919 -2.624 1.584 1.00 0.00 O ATOM 593 NE2 GLN A 39 21.222 -3.652 3.082 1.00 0.00 N ATOM 0 H GLN A 39 24.688 -1.125 2.317 1.00 0.00 H new ATOM 0 HA GLN A 39 24.762 -1.836 -0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.387 -2.380 -0.255 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.374 -3.298 0.863 1.00 0.00 H new ATOM 0 HG2 GLN A 39 22.791 -1.664 2.679 1.00 0.00 H new ATOM 0 HG3 GLN A 39 21.755 -0.810 1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 39 22.135 -3.716 3.532 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.476 -4.294 3.349 1.00 0.00 H new ATOM 602 N VAL A 40 23.353 0.130 -1.375 1.00 0.00 N ATOM 603 CA VAL A 40 22.743 1.354 -1.911 1.00 0.00 C ATOM 604 C VAL A 40 21.407 0.984 -2.587 1.00 0.00 C ATOM 605 O VAL A 40 21.324 -0.022 -3.301 1.00 0.00 O ATOM 606 CB VAL A 40 23.715 2.091 -2.923 1.00 0.00 C ATOM 607 CG1 VAL A 40 23.978 1.261 -4.205 1.00 0.00 C ATOM 608 CG2 VAL A 40 23.205 3.516 -3.270 1.00 0.00 C ATOM 0 H VAL A 40 23.414 -0.625 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 40 22.557 2.052 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 40 24.672 2.194 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 40 24.650 1.812 -4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.435 0.309 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.035 1.078 -4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.897 3.991 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 40 22.219 3.448 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 40 23.141 4.111 -2.359 1.00 0.00 H new ATOM 618 N VAL A 41 20.350 1.766 -2.313 1.00 0.00 N ATOM 619 CA VAL A 41 19.031 1.567 -2.941 1.00 0.00 C ATOM 620 C VAL A 41 18.888 2.556 -4.108 1.00 0.00 C ATOM 621 O VAL A 41 19.023 3.773 -3.943 1.00 0.00 O ATOM 622 CB VAL A 41 17.840 1.720 -1.922 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.456 1.587 -2.614 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.981 0.695 -0.775 1.00 0.00 C ATOM 0 H VAL A 41 20.383 2.546 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 41 18.978 0.542 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 41 17.892 2.726 -1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.666 1.699 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.353 2.362 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.376 0.606 -3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 41 17.151 0.812 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.970 -0.315 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.922 0.863 -0.250 1.00 0.00 H new ATOM 634 N LEU A 42 18.662 1.987 -5.284 1.00 0.00 N ATOM 635 CA LEU A 42 18.495 2.688 -6.548 1.00 0.00 C ATOM 636 C LEU A 42 17.047 2.487 -7.028 1.00 0.00 C ATOM 637 O LEU A 42 16.369 1.543 -6.599 1.00 0.00 O ATOM 638 CB LEU A 42 19.494 2.087 -7.590 1.00 0.00 C ATOM 639 CG LEU A 42 20.979 1.920 -7.119 1.00 0.00 C ATOM 640 CD1 LEU A 42 21.827 1.177 -8.174 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.627 3.276 -6.772 1.00 0.00 C ATOM 0 H LEU A 42 18.587 0.975 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 42 18.695 3.753 -6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.121 1.109 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.486 2.722 -8.476 1.00 0.00 H new ATOM 0 HG LEU A 42 20.953 1.317 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.851 1.079 -7.814 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.407 0.186 -8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 42 21.823 1.741 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.656 3.116 -6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.618 3.919 -7.652 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.065 3.753 -5.968 1.00 0.00 H new ATOM 653 N LEU A 43 16.559 3.384 -7.888 1.00 0.00 N ATOM 654 CA LEU A 43 15.348 3.129 -8.681 1.00 0.00 C ATOM 655 C LEU A 43 15.823 2.840 -10.109 1.00 0.00 C ATOM 656 O LEU A 43 16.126 3.773 -10.865 1.00 0.00 O ATOM 657 CB LEU A 43 14.360 4.341 -8.606 1.00 0.00 C ATOM 658 CG LEU A 43 12.840 4.038 -8.868 1.00 0.00 C ATOM 659 CD1 LEU A 43 11.956 5.252 -8.474 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.561 3.625 -10.334 1.00 0.00 C ATOM 0 H LEU A 43 16.983 4.296 -8.055 1.00 0.00 H new ATOM 0 HA LEU A 43 14.785 2.279 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.450 4.791 -7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.686 5.089 -9.328 1.00 0.00 H new ATOM 0 HG LEU A 43 12.579 3.189 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.909 5.017 -8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.091 5.472 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.246 6.121 -9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.497 3.427 -10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.862 4.431 -11.003 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.128 2.725 -10.573 1.00 0.00 H new ATOM 672 N ALA A 44 15.940 1.531 -10.427 1.00 0.00 N ATOM 673 CA ALA A 44 16.414 1.026 -11.731 1.00 0.00 C ATOM 674 C ALA A 44 17.764 1.666 -12.159 1.00 0.00 C ATOM 675 O ALA A 44 17.971 1.995 -13.336 1.00 0.00 O ATOM 676 CB ALA A 44 15.321 1.215 -12.803 1.00 0.00 C ATOM 0 H ALA A 44 15.703 0.785 -9.772 1.00 0.00 H new ATOM 0 HA ALA A 44 16.610 -0.041 -11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.682 0.839 -13.760 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.426 0.665 -12.511 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.082 2.274 -12.896 1.00 0.00 H new ATOM 682 N GLY A 45 18.681 1.828 -11.182 1.00 0.00 N ATOM 683 CA GLY A 45 19.998 2.439 -11.420 1.00 0.00 C ATOM 684 C GLY A 45 20.158 3.836 -10.814 1.00 0.00 C ATOM 685 O GLY A 45 21.269 4.203 -10.423 1.00 0.00 O ATOM 0 H GLY A 45 18.528 1.540 -10.215 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.769 1.786 -11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.170 2.499 -12.495 1.00 0.00 H new ATOM 689 N ALA A 46 19.056 4.609 -10.720 1.00 0.00 N ATOM 690 CA ALA A 46 19.091 6.008 -10.225 1.00 0.00 C ATOM 691 C ALA A 46 19.316 6.062 -8.690 1.00 0.00 C ATOM 692 O ALA A 46 18.464 5.579 -7.949 1.00 0.00 O ATOM 693 CB ALA A 46 17.784 6.728 -10.601 1.00 0.00 C ATOM 0 H ALA A 46 18.124 4.288 -10.981 1.00 0.00 H new ATOM 0 HA ALA A 46 19.931 6.515 -10.699 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.816 7.754 -10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.670 6.733 -11.685 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.939 6.208 -10.150 1.00 0.00 H new ATOM 699 N PRO A 47 20.458 6.657 -8.192 1.00 0.00 N ATOM 700 CA PRO A 47 20.772 6.721 -6.734 1.00 0.00 C ATOM 701 C PRO A 47 19.712 7.492 -5.915 1.00 0.00 C ATOM 702 O PRO A 47 19.577 8.714 -6.038 1.00 0.00 O ATOM 703 CB PRO A 47 22.167 7.413 -6.687 1.00 0.00 C ATOM 704 CG PRO A 47 22.268 8.149 -7.990 1.00 0.00 C ATOM 705 CD PRO A 47 21.537 7.290 -8.998 1.00 0.00 C ATOM 0 HA PRO A 47 20.773 5.732 -6.276 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.243 8.095 -5.840 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.969 6.682 -6.581 1.00 0.00 H new ATOM 0 HG2 PRO A 47 21.817 9.139 -7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.309 8.294 -8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.131 7.886 -9.815 1.00 0.00 H new ATOM 0 HD3 PRO A 47 22.196 6.545 -9.444 1.00 0.00 H new ATOM 713 N LEU A 48 18.935 6.745 -5.114 1.00 0.00 N ATOM 714 CA LEU A 48 17.945 7.319 -4.189 1.00 0.00 C ATOM 715 C LEU A 48 18.628 7.724 -2.877 1.00 0.00 C ATOM 716 O LEU A 48 19.445 6.965 -2.352 1.00 0.00 O ATOM 717 CB LEU A 48 16.810 6.300 -3.910 1.00 0.00 C ATOM 718 CG LEU A 48 16.005 5.807 -5.156 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.864 4.849 -4.738 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.466 7.005 -5.979 1.00 0.00 C ATOM 0 H LEU A 48 18.976 5.726 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 48 17.508 8.205 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.244 5.430 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.110 6.750 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 48 16.686 5.247 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.321 4.522 -5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.285 3.982 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.181 5.368 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.910 6.634 -6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.808 7.609 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.301 7.616 -6.322 1.00 0.00 H new ATOM 732 N GLU A 49 18.266 8.905 -2.357 1.00 0.00 N ATOM 733 CA GLU A 49 18.876 9.464 -1.137 1.00 0.00 C ATOM 734 C GLU A 49 18.302 8.766 0.100 1.00 0.00 C ATOM 735 O GLU A 49 17.090 8.550 0.171 1.00 0.00 O ATOM 736 CB GLU A 49 18.633 10.990 -1.078 1.00 0.00 C ATOM 737 CG GLU A 49 19.130 11.742 -2.329 1.00 0.00 C ATOM 738 CD GLU A 49 18.857 13.247 -2.265 1.00 0.00 C ATOM 739 OE1 GLU A 49 17.670 13.638 -2.299 1.00 0.00 O ATOM 740 OE2 GLU A 49 19.815 14.046 -2.184 1.00 0.00 O ATOM 0 H GLU A 49 17.545 9.500 -2.766 1.00 0.00 H new ATOM 0 HA GLU A 49 19.952 9.291 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.566 11.175 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.132 11.395 -0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.201 11.576 -2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.646 11.327 -3.213 1.00 0.00 H new ATOM 747 N ASP A 50 19.182 8.420 1.051 1.00 0.00 N ATOM 748 CA ASP A 50 18.826 7.633 2.252 1.00 0.00 C ATOM 749 C ASP A 50 17.733 8.323 3.103 1.00 0.00 C ATOM 750 O ASP A 50 16.786 7.680 3.558 1.00 0.00 O ATOM 751 CB ASP A 50 20.099 7.355 3.098 1.00 0.00 C ATOM 752 CG ASP A 50 20.743 8.632 3.673 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.402 9.367 2.908 1.00 0.00 O ATOM 754 OD2 ASP A 50 20.583 8.917 4.881 1.00 0.00 O ATOM 0 H ASP A 50 20.168 8.678 1.013 1.00 0.00 H new ATOM 0 HA ASP A 50 18.406 6.685 1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.842 6.686 3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.831 6.835 2.480 1.00 0.00 H new ATOM 759 N GLU A 51 17.849 9.647 3.263 1.00 0.00 N ATOM 760 CA GLU A 51 16.925 10.444 4.089 1.00 0.00 C ATOM 761 C GLU A 51 15.609 10.743 3.337 1.00 0.00 C ATOM 762 O GLU A 51 14.613 11.144 3.954 1.00 0.00 O ATOM 763 CB GLU A 51 17.625 11.747 4.537 1.00 0.00 C ATOM 764 CG GLU A 51 18.148 12.620 3.380 1.00 0.00 C ATOM 765 CD GLU A 51 18.822 13.909 3.869 1.00 0.00 C ATOM 766 OE1 GLU A 51 18.104 14.861 4.242 1.00 0.00 O ATOM 767 OE2 GLU A 51 20.067 13.974 3.905 1.00 0.00 O ATOM 0 H GLU A 51 18.586 10.199 2.824 1.00 0.00 H new ATOM 0 HA GLU A 51 16.659 9.865 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.926 12.335 5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.460 11.491 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.860 12.044 2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.319 12.876 2.720 1.00 0.00 H new ATOM 774 N ALA A 52 15.622 10.544 2.002 1.00 0.00 N ATOM 775 CA ALA A 52 14.436 10.717 1.150 1.00 0.00 C ATOM 776 C ALA A 52 13.489 9.513 1.303 1.00 0.00 C ATOM 777 O ALA A 52 13.947 8.363 1.344 1.00 0.00 O ATOM 778 CB ALA A 52 14.846 10.919 -0.323 1.00 0.00 C ATOM 0 H ALA A 52 16.456 10.259 1.489 1.00 0.00 H new ATOM 0 HA ALA A 52 13.904 11.612 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.953 11.045 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.472 11.807 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.403 10.048 -0.668 1.00 0.00 H new ATOM 784 N THR A 53 12.176 9.792 1.410 1.00 0.00 N ATOM 785 CA THR A 53 11.139 8.755 1.530 1.00 0.00 C ATOM 786 C THR A 53 10.818 8.168 0.152 1.00 0.00 C ATOM 787 O THR A 53 11.179 8.754 -0.873 1.00 0.00 O ATOM 788 CB THR A 53 9.831 9.321 2.178 1.00 0.00 C ATOM 789 OG1 THR A 53 9.208 10.268 1.306 1.00 0.00 O ATOM 790 CG2 THR A 53 10.112 9.997 3.527 1.00 0.00 C ATOM 0 H THR A 53 11.807 10.743 1.415 1.00 0.00 H new ATOM 0 HA THR A 53 11.529 7.972 2.180 1.00 0.00 H new ATOM 0 HB THR A 53 9.165 8.474 2.343 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.391 10.611 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.180 10.377 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.548 9.272 4.214 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.808 10.823 3.382 1.00 0.00 H new ATOM 798 N LEU A 54 10.118 7.029 0.135 1.00 0.00 N ATOM 799 CA LEU A 54 9.729 6.344 -1.112 1.00 0.00 C ATOM 800 C LEU A 54 8.753 7.203 -1.940 1.00 0.00 C ATOM 801 O LEU A 54 8.854 7.255 -3.172 1.00 0.00 O ATOM 802 CB LEU A 54 9.111 4.962 -0.786 1.00 0.00 C ATOM 803 CG LEU A 54 10.071 3.937 -0.100 1.00 0.00 C ATOM 804 CD1 LEU A 54 9.352 2.604 0.166 1.00 0.00 C ATOM 805 CD2 LEU A 54 11.368 3.721 -0.924 1.00 0.00 C ATOM 0 H LEU A 54 9.804 6.553 0.981 1.00 0.00 H new ATOM 0 HA LEU A 54 10.624 6.194 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.248 5.114 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.741 4.522 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 54 10.367 4.359 0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.041 1.908 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.498 2.776 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.007 2.182 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.008 3.002 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.112 3.340 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.896 4.669 -1.026 1.00 0.00 H new ATOM 817 N GLY A 55 7.838 7.896 -1.231 1.00 0.00 N ATOM 818 CA GLY A 55 6.887 8.814 -1.854 1.00 0.00 C ATOM 819 C GLY A 55 7.575 9.981 -2.565 1.00 0.00 C ATOM 820 O GLY A 55 7.197 10.344 -3.686 1.00 0.00 O ATOM 0 H GLY A 55 7.745 7.830 -0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.275 8.266 -2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.212 9.204 -1.092 1.00 0.00 H new ATOM 824 N GLN A 56 8.620 10.545 -1.924 1.00 0.00 N ATOM 825 CA GLN A 56 9.392 11.677 -2.488 1.00 0.00 C ATOM 826 C GLN A 56 10.327 11.210 -3.625 1.00 0.00 C ATOM 827 O GLN A 56 10.617 11.973 -4.546 1.00 0.00 O ATOM 828 CB GLN A 56 10.193 12.401 -1.376 1.00 0.00 C ATOM 829 CG GLN A 56 9.321 12.999 -0.246 1.00 0.00 C ATOM 830 CD GLN A 56 8.247 13.989 -0.722 1.00 0.00 C ATOM 831 OE1 GLN A 56 8.416 14.694 -1.719 1.00 0.00 O ATOM 832 NE2 GLN A 56 7.135 14.051 -0.007 1.00 0.00 N ATOM 0 H GLN A 56 8.951 10.234 -1.011 1.00 0.00 H new ATOM 0 HA GLN A 56 8.682 12.385 -2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.901 11.697 -0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.778 13.201 -1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.833 12.184 0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.971 13.504 0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.022 13.456 0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.391 14.694 -0.276 1.00 0.00 H new ATOM 841 N CYS A 57 10.787 9.952 -3.536 1.00 0.00 N ATOM 842 CA CYS A 57 11.577 9.294 -4.598 1.00 0.00 C ATOM 843 C CYS A 57 10.689 8.869 -5.793 1.00 0.00 C ATOM 844 O CYS A 57 11.205 8.404 -6.812 1.00 0.00 O ATOM 845 CB CYS A 57 12.329 8.076 -4.019 1.00 0.00 C ATOM 846 SG CYS A 57 13.580 8.504 -2.780 1.00 0.00 S ATOM 0 H CYS A 57 10.623 9.357 -2.724 1.00 0.00 H new ATOM 0 HA CYS A 57 12.302 10.016 -4.974 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.606 7.395 -3.570 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.810 7.537 -4.835 1.00 0.00 H new ATOM 0 HG CYS A 57 13.002 8.716 -1.635 1.00 0.00 H new ATOM 852 N GLY A 58 9.354 9.006 -5.635 1.00 0.00 N ATOM 853 CA GLY A 58 8.392 8.773 -6.718 1.00 0.00 C ATOM 854 C GLY A 58 8.129 7.298 -7.003 1.00 0.00 C ATOM 855 O GLY A 58 7.580 6.959 -8.056 1.00 0.00 O ATOM 0 H GLY A 58 8.921 9.281 -4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.449 9.258 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.760 9.249 -7.627 1.00 0.00 H new ATOM 859 N VAL A 59 8.518 6.421 -6.063 1.00 0.00 N ATOM 860 CA VAL A 59 8.303 4.967 -6.179 1.00 0.00 C ATOM 861 C VAL A 59 7.061 4.560 -5.358 1.00 0.00 C ATOM 862 O VAL A 59 6.894 4.988 -4.210 1.00 0.00 O ATOM 863 CB VAL A 59 9.585 4.142 -5.756 1.00 0.00 C ATOM 864 CG1 VAL A 59 10.161 4.599 -4.403 1.00 0.00 C ATOM 865 CG2 VAL A 59 9.304 2.623 -5.743 1.00 0.00 C ATOM 0 H VAL A 59 8.990 6.698 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 59 8.122 4.727 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 59 10.341 4.344 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.039 4.000 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.444 5.650 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.408 4.471 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.207 2.088 -5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.506 2.407 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.001 2.301 -6.739 1.00 0.00 H new ATOM 875 N GLU A 60 6.180 3.753 -5.986 1.00 0.00 N ATOM 876 CA GLU A 60 4.878 3.333 -5.417 1.00 0.00 C ATOM 877 C GLU A 60 4.799 1.792 -5.326 1.00 0.00 C ATOM 878 O GLU A 60 5.818 1.102 -5.464 1.00 0.00 O ATOM 879 CB GLU A 60 3.730 3.896 -6.303 1.00 0.00 C ATOM 880 CG GLU A 60 3.694 5.434 -6.406 1.00 0.00 C ATOM 881 CD GLU A 60 2.561 5.943 -7.312 1.00 0.00 C ATOM 882 OE1 GLU A 60 2.781 6.080 -8.537 1.00 0.00 O ATOM 883 OE2 GLU A 60 1.445 6.193 -6.809 1.00 0.00 O ATOM 0 H GLU A 60 6.354 3.369 -6.915 1.00 0.00 H new ATOM 0 HA GLU A 60 4.777 3.730 -4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.825 3.480 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.777 3.549 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.574 5.858 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.649 5.790 -6.791 1.00 0.00 H new ATOM 890 N ALA A 61 3.584 1.263 -5.060 1.00 0.00 N ATOM 891 CA ALA A 61 3.322 -0.189 -5.042 1.00 0.00 C ATOM 892 C ALA A 61 3.455 -0.793 -6.453 1.00 0.00 C ATOM 893 O ALA A 61 3.226 -0.104 -7.447 1.00 0.00 O ATOM 894 CB ALA A 61 1.927 -0.470 -4.457 1.00 0.00 C ATOM 0 H ALA A 61 2.762 1.830 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 61 4.069 -0.664 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.746 -1.545 -4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.876 -0.086 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.170 0.021 -5.069 1.00 0.00 H new ATOM 900 N LEU A 62 3.846 -2.085 -6.500 1.00 0.00 N ATOM 901 CA LEU A 62 4.069 -2.879 -7.737 1.00 0.00 C ATOM 902 C LEU A 62 5.326 -2.429 -8.528 1.00 0.00 C ATOM 903 O LEU A 62 5.605 -2.981 -9.599 1.00 0.00 O ATOM 904 CB LEU A 62 2.801 -2.927 -8.665 1.00 0.00 C ATOM 905 CG LEU A 62 1.614 -3.855 -8.217 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.077 -5.327 -8.073 1.00 0.00 C ATOM 907 CD2 LEU A 62 0.920 -3.346 -6.927 1.00 0.00 C ATOM 0 H LEU A 62 4.022 -2.625 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 62 4.257 -3.896 -7.393 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.417 -1.912 -8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.121 -3.244 -9.657 1.00 0.00 H new ATOM 0 HG LEU A 62 0.865 -3.816 -9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.234 -5.945 -7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.455 -5.685 -9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.867 -5.388 -7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.108 -4.022 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.645 -3.311 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.519 -2.347 -7.099 1.00 0.00 H new ATOM 919 N THR A 63 6.077 -1.441 -7.997 1.00 0.00 N ATOM 920 CA THR A 63 7.364 -0.995 -8.572 1.00 0.00 C ATOM 921 C THR A 63 8.505 -1.858 -7.980 1.00 0.00 C ATOM 922 O THR A 63 8.303 -2.557 -6.983 1.00 0.00 O ATOM 923 CB THR A 63 7.599 0.531 -8.282 1.00 0.00 C ATOM 924 OG1 THR A 63 6.403 1.263 -8.593 1.00 0.00 O ATOM 925 CG2 THR A 63 8.770 1.134 -9.097 1.00 0.00 C ATOM 0 H THR A 63 5.808 -0.930 -7.157 1.00 0.00 H new ATOM 0 HA THR A 63 7.346 -1.122 -9.654 1.00 0.00 H new ATOM 0 HB THR A 63 7.857 0.613 -7.226 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.901 1.436 -7.769 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.879 2.190 -8.850 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.692 0.607 -8.853 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.564 1.030 -10.162 1.00 0.00 H new ATOM 933 N THR A 64 9.684 -1.838 -8.616 1.00 0.00 N ATOM 934 CA THR A 64 10.855 -2.610 -8.180 1.00 0.00 C ATOM 935 C THR A 64 12.051 -1.659 -7.958 1.00 0.00 C ATOM 936 O THR A 64 12.495 -0.978 -8.893 1.00 0.00 O ATOM 937 CB THR A 64 11.217 -3.719 -9.229 1.00 0.00 C ATOM 938 OG1 THR A 64 10.054 -4.529 -9.475 1.00 0.00 O ATOM 939 CG2 THR A 64 12.372 -4.625 -8.753 1.00 0.00 C ATOM 0 H THR A 64 9.853 -1.281 -9.454 1.00 0.00 H new ATOM 0 HA THR A 64 10.617 -3.107 -7.240 1.00 0.00 H new ATOM 0 HB THR A 64 11.546 -3.218 -10.140 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.272 -5.224 -10.131 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.583 -5.375 -9.515 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.263 -4.020 -8.583 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.087 -5.120 -7.825 1.00 0.00 H new ATOM 947 N LEU A 65 12.526 -1.588 -6.692 1.00 0.00 N ATOM 948 CA LEU A 65 13.795 -0.896 -6.329 1.00 0.00 C ATOM 949 C LEU A 65 14.996 -1.759 -6.761 1.00 0.00 C ATOM 950 O LEU A 65 14.811 -2.828 -7.319 1.00 0.00 O ATOM 951 CB LEU A 65 13.864 -0.591 -4.795 1.00 0.00 C ATOM 952 CG LEU A 65 12.867 0.488 -4.244 1.00 0.00 C ATOM 953 CD1 LEU A 65 12.940 1.794 -5.068 1.00 0.00 C ATOM 954 CD2 LEU A 65 11.421 -0.051 -4.164 1.00 0.00 C ATOM 0 H LEU A 65 12.046 -2.005 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 65 13.827 0.059 -6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.690 -1.522 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.878 -0.270 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 65 13.177 0.723 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.237 2.521 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.951 2.199 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.684 1.584 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.763 0.728 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.088 -0.347 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.391 -0.914 -3.499 1.00 0.00 H new ATOM 966 N GLU A 66 16.223 -1.296 -6.491 1.00 0.00 N ATOM 967 CA GLU A 66 17.448 -2.018 -6.883 1.00 0.00 C ATOM 968 C GLU A 66 18.545 -1.850 -5.814 1.00 0.00 C ATOM 969 O GLU A 66 19.080 -0.764 -5.644 1.00 0.00 O ATOM 970 CB GLU A 66 17.915 -1.500 -8.270 1.00 0.00 C ATOM 971 CG GLU A 66 19.107 -2.253 -8.892 1.00 0.00 C ATOM 972 CD GLU A 66 19.447 -1.739 -10.303 1.00 0.00 C ATOM 973 OE1 GLU A 66 18.795 -2.173 -11.278 1.00 0.00 O ATOM 974 OE2 GLU A 66 20.355 -0.892 -10.442 1.00 0.00 O ATOM 0 H GLU A 66 16.398 -0.419 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 66 17.239 -3.085 -6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.073 -1.554 -8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.182 -0.448 -8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 66 19.979 -2.144 -8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 66 18.877 -3.317 -8.940 1.00 0.00 H new ATOM 981 N VAL A 67 18.852 -2.923 -5.063 1.00 0.00 N ATOM 982 CA VAL A 67 19.984 -2.933 -4.118 1.00 0.00 C ATOM 983 C VAL A 67 21.255 -3.325 -4.881 1.00 0.00 C ATOM 984 O VAL A 67 21.329 -4.417 -5.454 1.00 0.00 O ATOM 985 CB VAL A 67 19.743 -3.901 -2.893 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.024 -4.109 -2.038 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.595 -3.366 -2.009 1.00 0.00 C ATOM 0 H VAL A 67 18.329 -3.798 -5.093 1.00 0.00 H new ATOM 0 HA VAL A 67 20.090 -1.933 -3.697 1.00 0.00 H new ATOM 0 HB VAL A 67 19.468 -4.873 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 67 20.803 -4.782 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 67 21.809 -4.542 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.359 -3.149 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.438 -4.042 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.855 -2.376 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.681 -3.303 -2.599 1.00 0.00 H new ATOM 997 N ALA A 68 22.227 -2.404 -4.912 1.00 0.00 N ATOM 998 CA ALA A 68 23.550 -2.627 -5.512 1.00 0.00 C ATOM 999 C ALA A 68 24.647 -2.439 -4.450 1.00 0.00 C ATOM 1000 O ALA A 68 24.375 -1.954 -3.336 1.00 0.00 O ATOM 1001 CB ALA A 68 23.754 -1.673 -6.702 1.00 0.00 C ATOM 0 H ALA A 68 22.116 -1.471 -4.516 1.00 0.00 H new ATOM 0 HA ALA A 68 23.612 -3.650 -5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 68 24.737 -1.844 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.984 -1.857 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.686 -0.641 -6.357 1.00 0.00 H new ATOM 1007 N GLY A 69 25.886 -2.833 -4.792 1.00 0.00 N ATOM 1008 CA GLY A 69 27.020 -2.703 -3.878 1.00 0.00 C ATOM 1009 C GLY A 69 27.793 -1.416 -4.114 1.00 0.00 C ATOM 1010 O GLY A 69 28.755 -1.391 -4.892 1.00 0.00 O ATOM 0 H GLY A 69 26.121 -3.243 -5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.662 -2.728 -2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.687 -3.556 -4.004 1.00 0.00 H new ATOM 1014 N ARG A 70 27.345 -0.342 -3.445 1.00 0.00 N ATOM 1015 CA ARG A 70 28.048 0.958 -3.369 1.00 0.00 C ATOM 1016 C ARG A 70 27.823 1.530 -1.963 1.00 0.00 C ATOM 1017 O ARG A 70 26.724 1.403 -1.402 1.00 0.00 O ATOM 1018 CB ARG A 70 27.544 1.988 -4.429 1.00 0.00 C ATOM 1019 CG ARG A 70 27.857 1.643 -5.899 1.00 0.00 C ATOM 1020 CD ARG A 70 27.394 2.742 -6.874 1.00 0.00 C ATOM 1021 NE ARG A 70 27.994 4.050 -6.553 1.00 0.00 N ATOM 1022 CZ ARG A 70 28.146 5.074 -7.404 1.00 0.00 C ATOM 1023 NH1 ARG A 70 27.813 4.969 -8.687 1.00 0.00 N ATOM 1024 NH2 ARG A 70 28.650 6.206 -6.959 1.00 0.00 N ATOM 0 H ARG A 70 26.465 -0.349 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 70 29.104 0.786 -3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 70 26.464 2.093 -4.322 1.00 0.00 H new ATOM 0 HB3 ARG A 70 27.983 2.960 -4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 70 28.930 1.490 -6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 70 27.371 0.703 -6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 70 27.661 2.460 -7.892 1.00 0.00 H new ATOM 0 HD3 ARG A 70 26.308 2.823 -6.840 1.00 0.00 H new ATOM 0 HE ARG A 70 28.323 4.188 -5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 70 27.432 4.093 -9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 70 27.939 5.764 -9.313 1.00 0.00 H new ATOM 0 HH21 ARG A 70 28.919 6.294 -5.979 1.00 0.00 H new ATOM 0 HH22 ARG A 70 28.772 6.995 -7.594 1.00 0.00 H new ATOM 1038 N MET A 71 28.864 2.160 -1.402 1.00 0.00 N ATOM 1039 CA MET A 71 28.825 2.725 -0.049 1.00 0.00 C ATOM 1040 C MET A 71 29.717 3.970 0.031 1.00 0.00 C ATOM 1041 O MET A 71 30.730 4.078 -0.680 1.00 0.00 O ATOM 1042 CB MET A 71 29.249 1.658 1.004 1.00 0.00 C ATOM 1043 CG MET A 71 30.710 1.159 0.930 1.00 0.00 C ATOM 1044 SD MET A 71 31.124 0.305 -0.614 1.00 0.00 S ATOM 1045 CE MET A 71 29.992 -1.085 -0.587 1.00 0.00 C ATOM 0 H MET A 71 29.758 2.292 -1.876 1.00 0.00 H new ATOM 0 HA MET A 71 27.802 3.025 0.177 1.00 0.00 H new ATOM 0 HB2 MET A 71 29.080 2.073 1.998 1.00 0.00 H new ATOM 0 HB3 MET A 71 28.589 0.797 0.902 1.00 0.00 H new ATOM 0 HG2 MET A 71 31.380 2.010 1.053 1.00 0.00 H new ATOM 0 HG3 MET A 71 30.895 0.485 1.766 1.00 0.00 H new ATOM 0 HE1 MET A 71 30.508 -1.981 -0.932 1.00 0.00 H new ATOM 0 HE2 MET A 71 29.633 -1.242 0.430 1.00 0.00 H new ATOM 0 HE3 MET A 71 29.146 -0.878 -1.242 1.00 0.00 H new