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= -0.293 USER MOD Set 1.2: A 23 GLN : amide:sc= -0.241 K(o=-0.53,f=0.97) USER MOD Set 2.1: A 2 GLN : amide:sc= 0 X(o=0.89,f=0.46) USER MOD Set 2.2: A 12 THR OG1 : rot 23:sc= 0.887 USER MOD Single : A 1 MET CE :methyl -122:sc= -0.288 (180deg=-3.65!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -2.16! K(o=-2.2!,f=-1) USER MOD Single : A 11 HIS : no HD1:sc= -0.503 K(o=-0.5,f=-1.6) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0299 X(o=-0.03,f=-0.26) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= 0.153 (180deg=0.0836) USER MOD Single : A 27 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 30 SER OG : rot 69:sc= 0.615 USER MOD Single : A 39 GLN : amide:sc= -3.48 K(o=-3.5,f=-2.5) USER MOD Single : A 53 THR OG1 : rot 130:sc= -0.233 USER MOD Single : A 56 GLN : amide:sc= -0.0675 X(o=-0.067,f=-0.28) USER MOD Single : A 57 CYS SG : rot -21:sc= -3.19! USER MOD Single : A 63 THR OG1 : rot 105:sc= 0.387 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -161:sc= -0.106 (180deg=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.423 -0.650 -0.511 1.00 0.00 N ATOM 2 CA MET A 1 1.675 -0.143 -1.131 1.00 0.00 C ATOM 3 C MET A 1 2.757 -1.219 -0.966 1.00 0.00 C ATOM 4 O MET A 1 3.477 -1.239 0.032 1.00 0.00 O ATOM 5 CB MET A 1 2.100 1.202 -0.464 1.00 0.00 C ATOM 6 CG MET A 1 3.169 2.036 -1.205 1.00 0.00 C ATOM 7 SD MET A 1 4.738 1.180 -1.455 1.00 0.00 S ATOM 8 CE MET A 1 5.824 2.531 -1.925 1.00 0.00 C ATOM 0 H1 MET A 1 -0.327 0.063 -0.610 1.00 0.00 H new ATOM 0 H2 MET A 1 0.131 -1.528 -0.986 1.00 0.00 H new ATOM 0 H3 MET A 1 0.588 -0.841 0.498 1.00 0.00 H new ATOM 0 HA MET A 1 1.525 0.058 -2.192 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.209 1.819 -0.345 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.473 0.983 0.537 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.772 2.333 -2.176 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.353 2.951 -0.642 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.255 2.327 -2.905 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.254 3.459 -1.966 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.623 2.628 -1.190 1.00 0.00 H new ATOM 18 N GLN A 2 2.806 -2.155 -1.918 1.00 0.00 N ATOM 19 CA GLN A 2 3.783 -3.258 -1.927 1.00 0.00 C ATOM 20 C GLN A 2 4.733 -3.071 -3.110 1.00 0.00 C ATOM 21 O GLN A 2 4.280 -2.853 -4.235 1.00 0.00 O ATOM 22 CB GLN A 2 3.062 -4.630 -2.035 1.00 0.00 C ATOM 23 CG GLN A 2 4.009 -5.852 -2.005 1.00 0.00 C ATOM 24 CD GLN A 2 3.315 -7.189 -2.264 1.00 0.00 C ATOM 25 OE1 GLN A 2 2.317 -7.276 -2.984 1.00 0.00 O ATOM 26 NE2 GLN A 2 3.850 -8.247 -1.688 1.00 0.00 N ATOM 0 H GLN A 2 2.166 -2.173 -2.712 1.00 0.00 H new ATOM 0 HA GLN A 2 4.346 -3.244 -0.994 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.349 -4.718 -1.215 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.488 -4.653 -2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.790 -5.710 -2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.501 -5.893 -1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.676 -8.144 -1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.439 -9.169 -1.832 1.00 0.00 H new ATOM 35 N LEU A 3 6.037 -3.202 -2.855 1.00 0.00 N ATOM 36 CA LEU A 3 7.083 -3.048 -3.872 1.00 0.00 C ATOM 37 C LEU A 3 8.041 -4.235 -3.781 1.00 0.00 C ATOM 38 O LEU A 3 8.128 -4.894 -2.748 1.00 0.00 O ATOM 39 CB LEU A 3 7.819 -1.666 -3.725 1.00 0.00 C ATOM 40 CG LEU A 3 8.522 -1.317 -2.345 1.00 0.00 C ATOM 41 CD1 LEU A 3 9.850 -2.090 -2.107 1.00 0.00 C ATOM 42 CD2 LEU A 3 8.761 0.206 -2.226 1.00 0.00 C ATOM 0 H LEU A 3 6.401 -3.420 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 3 6.635 -3.044 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.578 -1.612 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.092 -0.881 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 3 7.833 -1.643 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.272 -1.800 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.652 -3.162 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.558 -1.851 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.244 0.425 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.402 0.539 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.806 0.729 -2.278 1.00 0.00 H new ATOM 54 N PHE A 4 8.767 -4.489 -4.862 1.00 0.00 N ATOM 55 CA PHE A 4 9.755 -5.567 -4.941 1.00 0.00 C ATOM 56 C PHE A 4 11.157 -4.974 -4.784 1.00 0.00 C ATOM 57 O PHE A 4 11.388 -3.802 -5.092 1.00 0.00 O ATOM 58 CB PHE A 4 9.601 -6.337 -6.281 1.00 0.00 C ATOM 59 CG PHE A 4 8.145 -6.690 -6.591 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.503 -7.727 -5.917 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.416 -5.967 -7.542 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.177 -8.027 -6.176 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.094 -6.270 -7.802 1.00 0.00 C ATOM 64 CZ PHE A 4 5.476 -7.306 -7.122 1.00 0.00 C ATOM 0 H PHE A 4 8.688 -3.947 -5.722 1.00 0.00 H new ATOM 0 HA PHE A 4 9.593 -6.283 -4.135 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.005 -5.732 -7.092 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.192 -7.252 -6.241 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.047 -8.304 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.894 -5.161 -8.080 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.690 -8.826 -5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.543 -5.700 -8.535 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.445 -7.550 -7.332 1.00 0.00 H new ATOM 74 N VAL A 5 12.063 -5.795 -4.270 1.00 0.00 N ATOM 75 CA VAL A 5 13.464 -5.447 -4.037 1.00 0.00 C ATOM 76 C VAL A 5 14.349 -6.490 -4.728 1.00 0.00 C ATOM 77 O VAL A 5 14.225 -7.694 -4.468 1.00 0.00 O ATOM 78 CB VAL A 5 13.784 -5.355 -2.491 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.300 -5.485 -2.193 1.00 0.00 C ATOM 80 CG2 VAL A 5 13.220 -4.038 -1.895 1.00 0.00 C ATOM 0 H VAL A 5 11.839 -6.751 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 5 13.668 -4.462 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 5 13.291 -6.200 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.467 -5.415 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.661 -6.448 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.840 -4.683 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.450 -3.993 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.674 -3.186 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.139 -4.009 -2.034 1.00 0.00 H new ATOM 90 N ARG A 6 15.247 -6.001 -5.592 1.00 0.00 N ATOM 91 CA ARG A 6 16.185 -6.833 -6.335 1.00 0.00 C ATOM 92 C ARG A 6 17.526 -6.886 -5.575 1.00 0.00 C ATOM 93 O ARG A 6 18.351 -5.961 -5.647 1.00 0.00 O ATOM 94 CB ARG A 6 16.366 -6.287 -7.780 1.00 0.00 C ATOM 95 CG ARG A 6 16.976 -7.310 -8.767 1.00 0.00 C ATOM 96 CD ARG A 6 16.960 -6.812 -10.220 1.00 0.00 C ATOM 97 NE ARG A 6 17.221 -7.901 -11.170 1.00 0.00 N ATOM 98 CZ ARG A 6 16.938 -7.870 -12.483 1.00 0.00 C ATOM 99 NH1 ARG A 6 16.489 -6.760 -13.056 1.00 0.00 N ATOM 100 NH2 ARG A 6 17.128 -8.952 -13.220 1.00 0.00 N ATOM 0 H ARG A 6 15.339 -5.005 -5.793 1.00 0.00 H new ATOM 0 HA ARG A 6 15.794 -7.847 -6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.396 -5.965 -8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 6 17.005 -5.404 -7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.003 -7.526 -8.472 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.422 -8.247 -8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.992 -6.362 -10.440 1.00 0.00 H new ATOM 0 HD3 ARG A 6 17.711 -6.032 -10.346 1.00 0.00 H new ATOM 0 HE ARG A 6 17.652 -8.750 -10.803 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.355 -5.917 -12.498 1.00 0.00 H new ATOM 0 HH12 ARG A 6 16.278 -6.751 -14.054 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.488 -9.805 -12.791 1.00 0.00 H new ATOM 0 HH22 ARG A 6 16.915 -8.934 -14.217 1.00 0.00 H new ATOM 114 N ALA A 7 17.634 -7.928 -4.751 1.00 0.00 N ATOM 115 CA ALA A 7 18.873 -8.370 -4.092 1.00 0.00 C ATOM 116 C ALA A 7 19.295 -9.683 -4.778 1.00 0.00 C ATOM 117 O ALA A 7 18.668 -10.071 -5.780 1.00 0.00 O ATOM 118 CB ALA A 7 18.648 -8.552 -2.579 1.00 0.00 C ATOM 0 H ALA A 7 16.833 -8.513 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 7 19.665 -7.627 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.576 -8.879 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.335 -7.604 -2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.874 -9.302 -2.414 1.00 0.00 H new ATOM 124 N GLN A 8 20.383 -10.329 -4.294 1.00 0.00 N ATOM 125 CA GLN A 8 20.838 -11.669 -4.792 1.00 0.00 C ATOM 126 C GLN A 8 19.668 -12.691 -4.906 1.00 0.00 C ATOM 127 O GLN A 8 19.700 -13.608 -5.735 1.00 0.00 O ATOM 128 CB GLN A 8 22.013 -12.210 -3.907 1.00 0.00 C ATOM 129 CG GLN A 8 21.790 -12.174 -2.373 1.00 0.00 C ATOM 130 CD GLN A 8 20.825 -13.231 -1.821 1.00 0.00 C ATOM 131 OE1 GLN A 8 20.722 -14.335 -2.345 1.00 0.00 O ATOM 132 NE2 GLN A 8 20.084 -12.890 -0.787 1.00 0.00 N ATOM 0 H GLN A 8 20.972 -9.948 -3.554 1.00 0.00 H new ATOM 0 HA GLN A 8 21.213 -11.536 -5.807 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.215 -13.240 -4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.908 -11.632 -4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 8 22.755 -12.295 -1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.415 -11.187 -2.101 1.00 0.00 H new ATOM 0 HE21 GLN A 8 20.188 -11.966 -0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 8 19.407 -13.550 -0.405 1.00 0.00 H new ATOM 141 N GLU A 9 18.651 -12.511 -4.048 1.00 0.00 N ATOM 142 CA GLU A 9 17.313 -13.127 -4.203 1.00 0.00 C ATOM 143 C GLU A 9 16.252 -12.006 -4.228 1.00 0.00 C ATOM 144 O GLU A 9 16.513 -10.889 -3.746 1.00 0.00 O ATOM 145 CB GLU A 9 17.004 -14.116 -3.047 1.00 0.00 C ATOM 146 CG GLU A 9 16.928 -13.479 -1.628 1.00 0.00 C ATOM 147 CD GLU A 9 15.822 -14.086 -0.752 1.00 0.00 C ATOM 148 OE1 GLU A 9 16.035 -15.170 -0.164 1.00 0.00 O ATOM 149 OE2 GLU A 9 14.717 -13.499 -0.674 1.00 0.00 O ATOM 0 H GLU A 9 18.731 -11.927 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 9 17.294 -13.692 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.055 -14.609 -3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 9 17.771 -14.891 -3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.889 -13.604 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.758 -12.407 -1.726 1.00 0.00 H new ATOM 156 N LEU A 10 15.058 -12.297 -4.772 1.00 0.00 N ATOM 157 CA LEU A 10 13.961 -11.320 -4.821 1.00 0.00 C ATOM 158 C LEU A 10 13.242 -11.237 -3.462 1.00 0.00 C ATOM 159 O LEU A 10 12.856 -12.251 -2.881 1.00 0.00 O ATOM 160 CB LEU A 10 12.962 -11.671 -5.953 1.00 0.00 C ATOM 161 CG LEU A 10 13.517 -11.552 -7.411 1.00 0.00 C ATOM 162 CD1 LEU A 10 12.422 -11.860 -8.455 1.00 0.00 C ATOM 163 CD2 LEU A 10 14.161 -10.161 -7.669 1.00 0.00 C ATOM 0 H LEU A 10 14.830 -13.202 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 10 14.388 -10.341 -5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.612 -12.692 -5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.093 -11.019 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 10 14.302 -12.300 -7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 10 12.839 -11.769 -9.458 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.053 -12.875 -8.307 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.600 -11.154 -8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.535 -10.117 -8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.414 -9.381 -7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.987 -10.008 -6.974 1.00 0.00 H new ATOM 175 N HIS A 11 13.106 -10.007 -2.962 1.00 0.00 N ATOM 176 CA HIS A 11 12.338 -9.674 -1.745 1.00 0.00 C ATOM 177 C HIS A 11 11.120 -8.827 -2.162 1.00 0.00 C ATOM 178 O HIS A 11 11.072 -8.324 -3.288 1.00 0.00 O ATOM 179 CB HIS A 11 13.218 -8.880 -0.731 1.00 0.00 C ATOM 180 CG HIS A 11 14.472 -9.599 -0.290 1.00 0.00 C ATOM 181 ND1 HIS A 11 14.597 -10.231 0.927 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.669 -9.759 -0.909 1.00 0.00 C ATOM 183 CE1 HIS A 11 15.802 -10.753 1.032 1.00 0.00 C ATOM 184 NE2 HIS A 11 16.472 -10.477 -0.067 1.00 0.00 N ATOM 0 H HIS A 11 13.535 -9.190 -3.398 1.00 0.00 H new ATOM 0 HA HIS A 11 12.014 -10.592 -1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.500 -7.928 -1.182 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.618 -8.650 0.149 1.00 0.00 H new ATOM 0 HD2 HIS A 11 15.938 -9.388 -1.887 1.00 0.00 H new ATOM 0 HE1 HIS A 11 16.177 -11.312 1.876 1.00 0.00 H new ATOM 0 HE2 HIS A 11 17.435 -10.754 -0.259 1.00 0.00 H new ATOM 193 N THR A 12 10.127 -8.715 -1.278 1.00 0.00 N ATOM 194 CA THR A 12 9.008 -7.772 -1.433 1.00 0.00 C ATOM 195 C THR A 12 8.660 -7.189 -0.051 1.00 0.00 C ATOM 196 O THR A 12 8.814 -7.873 0.976 1.00 0.00 O ATOM 197 CB THR A 12 7.752 -8.435 -2.110 1.00 0.00 C ATOM 198 OG1 THR A 12 6.811 -7.422 -2.484 1.00 0.00 O ATOM 199 CG2 THR A 12 7.050 -9.462 -1.209 1.00 0.00 C ATOM 0 H THR A 12 10.072 -9.277 -0.429 1.00 0.00 H new ATOM 0 HA THR A 12 9.317 -6.971 -2.104 1.00 0.00 H new ATOM 0 HB THR A 12 8.118 -8.969 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.276 -6.565 -2.585 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.193 -9.882 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.747 -10.261 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.711 -8.973 -0.295 1.00 0.00 H new ATOM 207 N PHE A 13 8.230 -5.915 -0.026 1.00 0.00 N ATOM 208 CA PHE A 13 7.950 -5.168 1.212 1.00 0.00 C ATOM 209 C PHE A 13 6.676 -4.341 1.043 1.00 0.00 C ATOM 210 O PHE A 13 6.504 -3.654 0.034 1.00 0.00 O ATOM 211 CB PHE A 13 9.136 -4.234 1.593 1.00 0.00 C ATOM 212 CG PHE A 13 10.409 -4.993 1.960 1.00 0.00 C ATOM 213 CD1 PHE A 13 10.520 -5.635 3.192 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.471 -5.088 1.067 1.00 0.00 C ATOM 215 CE1 PHE A 13 11.657 -6.346 3.513 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.605 -5.804 1.390 1.00 0.00 C ATOM 217 CZ PHE A 13 12.701 -6.427 2.615 1.00 0.00 C ATOM 0 H PHE A 13 8.066 -5.370 -0.873 1.00 0.00 H new ATOM 0 HA PHE A 13 7.815 -5.890 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.347 -3.567 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.840 -3.607 2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.708 -5.575 3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.407 -4.595 0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 13 11.730 -6.841 4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.418 -5.876 0.682 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.593 -6.979 2.872 1.00 0.00 H new ATOM 227 N GLU A 14 5.779 -4.442 2.030 1.00 0.00 N ATOM 228 CA GLU A 14 4.604 -3.574 2.133 1.00 0.00 C ATOM 229 C GLU A 14 4.934 -2.436 3.118 1.00 0.00 C ATOM 230 O GLU A 14 5.508 -2.673 4.187 1.00 0.00 O ATOM 231 CB GLU A 14 3.356 -4.381 2.579 1.00 0.00 C ATOM 232 CG GLU A 14 3.481 -5.082 3.949 1.00 0.00 C ATOM 233 CD GLU A 14 2.245 -5.917 4.303 1.00 0.00 C ATOM 234 OE1 GLU A 14 1.284 -5.369 4.891 1.00 0.00 O ATOM 235 OE2 GLU A 14 2.221 -7.124 3.982 1.00 0.00 O ATOM 0 H GLU A 14 5.849 -5.129 2.780 1.00 0.00 H new ATOM 0 HA GLU A 14 4.363 -3.148 1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.500 -3.707 2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.141 -5.135 1.822 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.360 -5.726 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.641 -4.331 4.723 1.00 0.00 H new ATOM 242 N VAL A 15 4.628 -1.201 2.708 1.00 0.00 N ATOM 243 CA VAL A 15 4.909 0.034 3.461 1.00 0.00 C ATOM 244 C VAL A 15 3.723 1.013 3.288 1.00 0.00 C ATOM 245 O VAL A 15 2.662 0.631 2.784 1.00 0.00 O ATOM 246 CB VAL A 15 6.256 0.707 2.964 1.00 0.00 C ATOM 247 CG1 VAL A 15 7.502 -0.124 3.354 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.207 0.954 1.435 1.00 0.00 C ATOM 0 H VAL A 15 4.164 -1.024 1.817 1.00 0.00 H new ATOM 0 HA VAL A 15 5.030 -0.213 4.516 1.00 0.00 H new ATOM 0 HB VAL A 15 6.347 1.669 3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.401 0.376 2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.551 -0.219 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.433 -1.115 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.139 1.416 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.074 0.004 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.373 1.615 1.200 1.00 0.00 H new ATOM 258 N THR A 16 3.909 2.268 3.725 1.00 0.00 N ATOM 259 CA THR A 16 2.907 3.342 3.590 1.00 0.00 C ATOM 260 C THR A 16 3.428 4.429 2.613 1.00 0.00 C ATOM 261 O THR A 16 2.678 5.323 2.199 1.00 0.00 O ATOM 262 CB THR A 16 2.607 3.965 5.001 1.00 0.00 C ATOM 263 OG1 THR A 16 2.497 2.914 5.971 1.00 0.00 O ATOM 264 CG2 THR A 16 1.304 4.783 5.028 1.00 0.00 C ATOM 0 H THR A 16 4.767 2.571 4.187 1.00 0.00 H new ATOM 0 HA THR A 16 1.983 2.928 3.186 1.00 0.00 H new ATOM 0 HB THR A 16 3.433 4.638 5.231 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.312 3.300 6.852 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.150 5.188 6.028 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.373 5.601 4.311 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.465 4.139 4.764 1.00 0.00 H new ATOM 272 N GLY A 17 4.725 4.324 2.227 1.00 0.00 N ATOM 273 CA GLY A 17 5.386 5.335 1.396 1.00 0.00 C ATOM 274 C GLY A 17 6.140 6.368 2.232 1.00 0.00 C ATOM 275 O GLY A 17 7.212 6.833 1.843 1.00 0.00 O ATOM 0 H GLY A 17 5.327 3.542 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.081 4.845 0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.641 5.841 0.782 1.00 0.00 H new ATOM 279 N GLN A 18 5.567 6.729 3.399 1.00 0.00 N ATOM 280 CA GLN A 18 6.160 7.717 4.330 1.00 0.00 C ATOM 281 C GLN A 18 7.457 7.169 4.966 1.00 0.00 C ATOM 282 O GLN A 18 8.264 7.929 5.503 1.00 0.00 O ATOM 283 CB GLN A 18 5.109 8.124 5.409 1.00 0.00 C ATOM 284 CG GLN A 18 5.561 9.244 6.373 1.00 0.00 C ATOM 285 CD GLN A 18 5.866 10.580 5.679 1.00 0.00 C ATOM 286 OE1 GLN A 18 5.258 10.930 4.663 1.00 0.00 O ATOM 287 NE2 GLN A 18 6.820 11.327 6.209 1.00 0.00 N ATOM 0 H GLN A 18 4.680 6.345 3.724 1.00 0.00 H new ATOM 0 HA GLN A 18 6.436 8.612 3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.198 8.446 4.904 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.853 7.242 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.782 9.403 7.119 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.451 8.912 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.306 11.013 7.049 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.070 12.217 5.778 1.00 0.00 H new ATOM 296 N GLU A 19 7.649 5.840 4.880 1.00 0.00 N ATOM 297 CA GLU A 19 8.897 5.186 5.291 1.00 0.00 C ATOM 298 C GLU A 19 10.048 5.587 4.346 1.00 0.00 C ATOM 299 O GLU A 19 9.823 5.802 3.160 1.00 0.00 O ATOM 300 CB GLU A 19 8.712 3.649 5.297 1.00 0.00 C ATOM 301 CG GLU A 19 9.918 2.858 5.843 1.00 0.00 C ATOM 302 CD GLU A 19 10.250 3.217 7.305 1.00 0.00 C ATOM 303 OE1 GLU A 19 11.040 4.173 7.540 1.00 0.00 O ATOM 304 OE2 GLU A 19 9.713 2.563 8.223 1.00 0.00 O ATOM 0 H GLU A 19 6.944 5.194 4.524 1.00 0.00 H new ATOM 0 HA GLU A 19 9.151 5.512 6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.834 3.405 5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.508 3.317 4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.709 1.790 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.789 3.054 5.218 1.00 0.00 H new ATOM 311 N THR A 20 11.273 5.684 4.888 1.00 0.00 N ATOM 312 CA THR A 20 12.451 6.120 4.127 1.00 0.00 C ATOM 313 C THR A 20 13.105 4.959 3.362 1.00 0.00 C ATOM 314 O THR A 20 12.983 3.780 3.738 1.00 0.00 O ATOM 315 CB THR A 20 13.523 6.779 5.047 1.00 0.00 C ATOM 316 OG1 THR A 20 13.993 5.833 6.022 1.00 0.00 O ATOM 317 CG2 THR A 20 12.982 8.035 5.751 1.00 0.00 C ATOM 0 H THR A 20 11.472 5.463 5.864 1.00 0.00 H new ATOM 0 HA THR A 20 12.086 6.858 3.412 1.00 0.00 H new ATOM 0 HB THR A 20 14.353 7.087 4.411 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.667 6.259 6.593 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.761 8.463 6.382 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.677 8.768 5.004 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.124 7.766 6.367 1.00 0.00 H new ATOM 325 N VAL A 21 13.845 5.338 2.310 1.00 0.00 N ATOM 326 CA VAL A 21 14.680 4.432 1.515 1.00 0.00 C ATOM 327 C VAL A 21 15.785 3.766 2.409 1.00 0.00 C ATOM 328 O VAL A 21 16.222 2.637 2.139 1.00 0.00 O ATOM 329 CB VAL A 21 15.326 5.236 0.314 1.00 0.00 C ATOM 330 CG1 VAL A 21 16.319 4.388 -0.493 1.00 0.00 C ATOM 331 CG2 VAL A 21 14.265 5.859 -0.634 1.00 0.00 C ATOM 0 H VAL A 21 13.879 6.304 1.983 1.00 0.00 H new ATOM 0 HA VAL A 21 14.060 3.631 1.112 1.00 0.00 H new ATOM 0 HB VAL A 21 15.876 6.053 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.733 4.987 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 21 17.126 4.053 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.804 3.521 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.767 6.398 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.647 5.068 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.636 6.549 -0.072 1.00 0.00 H new ATOM 341 N ALA A 22 16.187 4.473 3.496 1.00 0.00 N ATOM 342 CA ALA A 22 17.200 3.999 4.462 1.00 0.00 C ATOM 343 C ALA A 22 16.714 2.765 5.234 1.00 0.00 C ATOM 344 O ALA A 22 17.415 1.760 5.275 1.00 0.00 O ATOM 345 CB ALA A 22 17.591 5.111 5.441 1.00 0.00 C ATOM 0 H ALA A 22 15.812 5.394 3.724 1.00 0.00 H new ATOM 0 HA ALA A 22 18.080 3.713 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.338 4.734 6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.005 5.954 4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.709 5.437 5.993 1.00 0.00 H new ATOM 351 N GLN A 23 15.514 2.853 5.851 1.00 0.00 N ATOM 352 CA GLN A 23 14.916 1.712 6.586 1.00 0.00 C ATOM 353 C GLN A 23 14.586 0.545 5.632 1.00 0.00 C ATOM 354 O GLN A 23 14.650 -0.611 6.046 1.00 0.00 O ATOM 355 CB GLN A 23 13.659 2.125 7.409 1.00 0.00 C ATOM 356 CG GLN A 23 13.953 2.772 8.784 1.00 0.00 C ATOM 357 CD GLN A 23 14.574 4.168 8.699 1.00 0.00 C ATOM 358 OE1 GLN A 23 15.794 4.322 8.634 1.00 0.00 O ATOM 359 NE2 GLN A 23 13.735 5.198 8.716 1.00 0.00 N ATOM 0 H GLN A 23 14.942 3.697 5.856 1.00 0.00 H new ATOM 0 HA GLN A 23 15.668 1.373 7.299 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.070 2.824 6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.041 1.241 7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.024 2.834 9.350 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.625 2.121 9.343 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.729 5.036 8.770 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.096 6.151 8.675 1.00 0.00 H new ATOM 368 N ILE A 24 14.257 0.866 4.360 1.00 0.00 N ATOM 369 CA ILE A 24 14.065 -0.162 3.306 1.00 0.00 C ATOM 370 C ILE A 24 15.347 -1.005 3.128 1.00 0.00 C ATOM 371 O ILE A 24 15.309 -2.227 3.305 1.00 0.00 O ATOM 372 CB ILE A 24 13.623 0.472 1.919 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.208 1.122 2.047 1.00 0.00 C ATOM 374 CG2 ILE A 24 13.668 -0.554 0.739 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.091 0.155 2.417 1.00 0.00 C ATOM 0 H ILE A 24 14.119 1.824 4.037 1.00 0.00 H new ATOM 0 HA ILE A 24 13.255 -0.811 3.638 1.00 0.00 H new ATOM 0 HB ILE A 24 14.349 1.247 1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.252 1.909 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.957 1.600 1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 24 13.355 -0.063 -0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 24 14.684 -0.931 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.996 -1.385 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.148 0.697 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.012 -0.619 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.313 -0.306 3.380 1.00 0.00 H new ATOM 387 N LYS A 25 16.494 -0.334 2.835 1.00 0.00 N ATOM 388 CA LYS A 25 17.780 -1.029 2.580 1.00 0.00 C ATOM 389 C LYS A 25 18.308 -1.675 3.879 1.00 0.00 C ATOM 390 O LYS A 25 18.965 -2.696 3.824 1.00 0.00 O ATOM 391 CB LYS A 25 18.856 -0.081 1.950 1.00 0.00 C ATOM 392 CG LYS A 25 19.416 1.004 2.892 1.00 0.00 C ATOM 393 CD LYS A 25 20.485 1.896 2.217 1.00 0.00 C ATOM 394 CE LYS A 25 21.133 2.889 3.196 1.00 0.00 C ATOM 395 NZ LYS A 25 22.172 3.730 2.539 1.00 0.00 N ATOM 0 H LYS A 25 16.551 0.682 2.770 1.00 0.00 H new ATOM 0 HA LYS A 25 17.586 -1.813 1.848 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.686 -0.690 1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 25 18.419 0.408 1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.596 1.631 3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 25 19.851 0.526 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.259 1.263 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.026 2.448 1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.363 3.532 3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.582 2.340 4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.774 4.169 3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.757 3.136 1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 21.712 4.473 1.975 1.00 0.00 H new ATOM 409 N ALA A 26 17.972 -1.077 5.047 1.00 0.00 N ATOM 410 CA ALA A 26 18.356 -1.599 6.373 1.00 0.00 C ATOM 411 C ALA A 26 17.644 -2.928 6.679 1.00 0.00 C ATOM 412 O ALA A 26 18.269 -3.853 7.211 1.00 0.00 O ATOM 413 CB ALA A 26 18.072 -0.554 7.468 1.00 0.00 C ATOM 0 H ALA A 26 17.426 -0.217 5.092 1.00 0.00 H new ATOM 0 HA ALA A 26 19.428 -1.798 6.359 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.361 -0.956 8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 26 18.645 0.351 7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.008 -0.316 7.476 1.00 0.00 H new ATOM 419 N HIS A 27 16.340 -3.023 6.319 1.00 0.00 N ATOM 420 CA HIS A 27 15.551 -4.256 6.498 1.00 0.00 C ATOM 421 C HIS A 27 16.089 -5.347 5.557 1.00 0.00 C ATOM 422 O HIS A 27 16.230 -6.513 5.954 1.00 0.00 O ATOM 423 CB HIS A 27 14.033 -3.989 6.250 1.00 0.00 C ATOM 424 CG HIS A 27 13.102 -5.067 6.782 1.00 0.00 C ATOM 425 ND1 HIS A 27 11.988 -4.787 7.542 1.00 0.00 N ATOM 426 CD2 HIS A 27 13.112 -6.418 6.638 1.00 0.00 C ATOM 427 CE1 HIS A 27 11.369 -5.911 7.843 1.00 0.00 C ATOM 428 NE2 HIS A 27 12.028 -6.908 7.302 1.00 0.00 N ATOM 0 H HIS A 27 15.816 -2.254 5.902 1.00 0.00 H new ATOM 0 HA HIS A 27 15.652 -4.600 7.527 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.766 -3.038 6.710 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.867 -3.882 5.178 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.845 -6.997 6.096 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.470 -5.997 8.436 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.770 -7.893 7.368 1.00 0.00 H new ATOM 437 N VAL A 28 16.424 -4.942 4.313 1.00 0.00 N ATOM 438 CA VAL A 28 17.068 -5.842 3.330 1.00 0.00 C ATOM 439 C VAL A 28 18.403 -6.360 3.900 1.00 0.00 C ATOM 440 O VAL A 28 18.664 -7.546 3.869 1.00 0.00 O ATOM 441 CB VAL A 28 17.321 -5.144 1.932 1.00 0.00 C ATOM 442 CG1 VAL A 28 18.003 -6.111 0.922 1.00 0.00 C ATOM 443 CG2 VAL A 28 16.002 -4.588 1.351 1.00 0.00 C ATOM 0 H VAL A 28 16.259 -3.997 3.965 1.00 0.00 H new ATOM 0 HA VAL A 28 16.381 -6.670 3.155 1.00 0.00 H new ATOM 0 HB VAL A 28 18.003 -4.311 2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.160 -5.596 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.963 -6.437 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.364 -6.979 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.199 -4.113 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.293 -5.404 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.582 -3.854 2.039 1.00 0.00 H new ATOM 453 N ALA A 29 19.199 -5.442 4.492 1.00 0.00 N ATOM 454 CA ALA A 29 20.508 -5.753 5.108 1.00 0.00 C ATOM 455 C ALA A 29 20.375 -6.786 6.243 1.00 0.00 C ATOM 456 O ALA A 29 21.216 -7.664 6.378 1.00 0.00 O ATOM 457 CB ALA A 29 21.162 -4.465 5.633 1.00 0.00 C ATOM 0 H ALA A 29 18.948 -4.455 4.556 1.00 0.00 H new ATOM 0 HA ALA A 29 21.142 -6.192 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 29 22.125 -4.704 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.311 -3.770 4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.514 -4.007 6.380 1.00 0.00 H new ATOM 463 N SER A 30 19.294 -6.661 7.042 1.00 0.00 N ATOM 464 CA SER A 30 18.965 -7.604 8.130 1.00 0.00 C ATOM 465 C SER A 30 18.677 -9.016 7.581 1.00 0.00 C ATOM 466 O SER A 30 19.074 -10.017 8.188 1.00 0.00 O ATOM 467 CB SER A 30 17.762 -7.063 8.941 1.00 0.00 C ATOM 468 OG SER A 30 18.038 -5.763 9.437 1.00 0.00 O ATOM 0 H SER A 30 18.622 -5.899 6.949 1.00 0.00 H new ATOM 0 HA SER A 30 19.827 -7.688 8.792 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.874 -7.036 8.310 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.544 -7.736 9.770 1.00 0.00 H new ATOM 0 HG SER A 30 18.067 -5.128 8.691 1.00 0.00 H new ATOM 474 N LEU A 31 18.006 -9.071 6.417 1.00 0.00 N ATOM 475 CA LEU A 31 17.680 -10.343 5.733 1.00 0.00 C ATOM 476 C LEU A 31 18.909 -10.931 4.999 1.00 0.00 C ATOM 477 O LEU A 31 19.017 -12.153 4.838 1.00 0.00 O ATOM 478 CB LEU A 31 16.510 -10.125 4.739 1.00 0.00 C ATOM 479 CG LEU A 31 15.199 -9.535 5.357 1.00 0.00 C ATOM 480 CD1 LEU A 31 14.104 -9.344 4.285 1.00 0.00 C ATOM 481 CD2 LEU A 31 14.688 -10.385 6.551 1.00 0.00 C ATOM 0 H LEU A 31 17.674 -8.242 5.923 1.00 0.00 H new ATOM 0 HA LEU A 31 17.378 -11.064 6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.849 -9.458 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.272 -11.080 4.271 1.00 0.00 H new ATOM 0 HG LEU A 31 15.446 -8.549 5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.208 -8.933 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.462 -8.658 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.868 -10.306 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.776 -9.940 6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.479 -11.400 6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 31 15.450 -10.413 7.330 1.00 0.00 H new ATOM 493 N GLU A 32 19.814 -10.040 4.536 1.00 0.00 N ATOM 494 CA GLU A 32 21.087 -10.420 3.878 1.00 0.00 C ATOM 495 C GLU A 32 22.140 -10.854 4.923 1.00 0.00 C ATOM 496 O GLU A 32 23.028 -11.654 4.622 1.00 0.00 O ATOM 497 CB GLU A 32 21.661 -9.241 3.026 1.00 0.00 C ATOM 498 CG GLU A 32 20.735 -8.693 1.920 1.00 0.00 C ATOM 499 CD GLU A 32 20.278 -9.748 0.903 1.00 0.00 C ATOM 500 OE1 GLU A 32 21.029 -10.034 -0.040 1.00 0.00 O ATOM 501 OE2 GLU A 32 19.166 -10.303 1.045 1.00 0.00 O ATOM 0 H GLU A 32 19.682 -9.031 4.608 1.00 0.00 H new ATOM 0 HA GLU A 32 20.869 -11.259 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.914 -8.422 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 32 22.591 -9.572 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.855 -8.248 2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 32 21.254 -7.894 1.390 1.00 0.00 H new ATOM 508 N GLY A 33 22.020 -10.310 6.146 1.00 0.00 N ATOM 509 CA GLY A 33 22.989 -10.548 7.226 1.00 0.00 C ATOM 510 C GLY A 33 24.153 -9.551 7.234 1.00 0.00 C ATOM 511 O GLY A 33 25.170 -9.796 7.885 1.00 0.00 O ATOM 0 H GLY A 33 21.251 -9.695 6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 33 22.472 -10.499 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 33 23.387 -11.558 7.130 1.00 0.00 H new ATOM 515 N ILE A 34 24.000 -8.426 6.506 1.00 0.00 N ATOM 516 CA ILE A 34 25.039 -7.367 6.372 1.00 0.00 C ATOM 517 C ILE A 34 24.503 -6.012 6.896 1.00 0.00 C ATOM 518 O ILE A 34 23.393 -5.950 7.421 1.00 0.00 O ATOM 519 CB ILE A 34 25.535 -7.234 4.879 1.00 0.00 C ATOM 520 CG1 ILE A 34 24.397 -6.718 3.932 1.00 0.00 C ATOM 521 CG2 ILE A 34 26.105 -8.586 4.374 1.00 0.00 C ATOM 522 CD1 ILE A 34 24.822 -6.536 2.480 1.00 0.00 C ATOM 0 H ILE A 34 23.147 -8.219 5.987 1.00 0.00 H new ATOM 0 HA ILE A 34 25.896 -7.659 6.980 1.00 0.00 H new ATOM 0 HB ILE A 34 26.333 -6.491 4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 34 23.564 -7.420 3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 34 24.028 -5.765 4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 34 26.442 -8.476 3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 34 26.945 -8.884 5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 34 25.328 -9.349 4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 34 23.975 -6.177 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 34 25.634 -5.810 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 34 25.162 -7.490 2.078 1.00 0.00 H new ATOM 534 N ALA A 35 25.312 -4.936 6.781 1.00 0.00 N ATOM 535 CA ALA A 35 24.943 -3.585 7.265 1.00 0.00 C ATOM 536 C ALA A 35 24.393 -2.695 6.105 1.00 0.00 C ATOM 537 O ALA A 35 24.838 -2.825 4.958 1.00 0.00 O ATOM 538 CB ALA A 35 26.165 -2.927 7.936 1.00 0.00 C ATOM 0 H ALA A 35 26.236 -4.978 6.352 1.00 0.00 H new ATOM 0 HA ALA A 35 24.144 -3.683 8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 35 25.893 -1.933 8.292 1.00 0.00 H new ATOM 0 HB2 ALA A 35 26.490 -3.538 8.778 1.00 0.00 H new ATOM 0 HB3 ALA A 35 26.976 -2.844 7.213 1.00 0.00 H new ATOM 544 N PRO A 36 23.394 -1.775 6.383 1.00 0.00 N ATOM 545 CA PRO A 36 22.833 -0.840 5.357 1.00 0.00 C ATOM 546 C PRO A 36 23.868 0.156 4.784 1.00 0.00 C ATOM 547 O PRO A 36 23.662 0.698 3.691 1.00 0.00 O ATOM 548 CB PRO A 36 21.715 -0.087 6.128 1.00 0.00 C ATOM 549 CG PRO A 36 22.074 -0.243 7.577 1.00 0.00 C ATOM 550 CD PRO A 36 22.702 -1.607 7.691 1.00 0.00 C ATOM 0 HA PRO A 36 22.483 -1.385 4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.676 0.964 5.841 1.00 0.00 H new ATOM 0 HB3 PRO A 36 20.734 -0.512 5.916 1.00 0.00 H new ATOM 0 HG2 PRO A 36 22.767 0.536 7.896 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.191 -0.163 8.211 1.00 0.00 H new ATOM 0 HD2 PRO A 36 23.401 -1.660 8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 36 21.953 -2.383 7.853 1.00 0.00 H new ATOM 558 N GLU A 37 24.969 0.384 5.535 1.00 0.00 N ATOM 559 CA GLU A 37 26.072 1.302 5.139 1.00 0.00 C ATOM 560 C GLU A 37 26.841 0.777 3.903 1.00 0.00 C ATOM 561 O GLU A 37 27.579 1.526 3.255 1.00 0.00 O ATOM 562 CB GLU A 37 27.048 1.519 6.333 1.00 0.00 C ATOM 563 CG GLU A 37 27.709 0.231 6.857 1.00 0.00 C ATOM 564 CD GLU A 37 28.514 0.446 8.148 1.00 0.00 C ATOM 565 OE1 GLU A 37 27.916 0.402 9.245 1.00 0.00 O ATOM 566 OE2 GLU A 37 29.736 0.680 8.078 1.00 0.00 O ATOM 0 H GLU A 37 25.122 -0.064 6.438 1.00 0.00 H new ATOM 0 HA GLU A 37 25.624 2.257 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 37 27.829 2.215 6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 37 26.503 1.992 7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.938 -0.518 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 37 28.369 -0.170 6.088 1.00 0.00 H new ATOM 573 N ASP A 38 26.683 -0.528 3.612 1.00 0.00 N ATOM 574 CA ASP A 38 27.241 -1.158 2.403 1.00 0.00 C ATOM 575 C ASP A 38 26.342 -0.875 1.201 1.00 0.00 C ATOM 576 O ASP A 38 26.813 -0.575 0.094 1.00 0.00 O ATOM 577 CB ASP A 38 27.389 -2.691 2.613 1.00 0.00 C ATOM 578 CG ASP A 38 28.320 -3.023 3.780 1.00 0.00 C ATOM 579 OD1 ASP A 38 27.877 -2.958 4.945 1.00 0.00 O ATOM 580 OD2 ASP A 38 29.513 -3.293 3.543 1.00 0.00 O ATOM 0 H ASP A 38 26.165 -1.174 4.208 1.00 0.00 H new ATOM 0 HA ASP A 38 28.228 -0.736 2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 38 26.407 -3.128 2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.775 -3.146 1.701 1.00 0.00 H new ATOM 585 N GLN A 39 25.036 -0.940 1.462 1.00 0.00 N ATOM 586 CA GLN A 39 23.999 -0.950 0.429 1.00 0.00 C ATOM 587 C GLN A 39 23.521 0.467 0.066 1.00 0.00 C ATOM 588 O GLN A 39 23.602 1.413 0.867 1.00 0.00 O ATOM 589 CB GLN A 39 22.808 -1.811 0.910 1.00 0.00 C ATOM 590 CG GLN A 39 23.164 -3.294 1.178 1.00 0.00 C ATOM 591 CD GLN A 39 21.993 -4.133 1.702 1.00 0.00 C ATOM 592 OE1 GLN A 39 21.869 -5.325 1.411 1.00 0.00 O ATOM 593 NE2 GLN A 39 21.149 -3.531 2.514 1.00 0.00 N ATOM 0 H GLN A 39 24.663 -0.988 2.410 1.00 0.00 H new ATOM 0 HA GLN A 39 24.430 -1.379 -0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.405 -1.375 1.824 1.00 0.00 H new ATOM 0 HB3 GLN A 39 22.017 -1.768 0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.533 -3.741 0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 39 23.979 -3.336 1.900 1.00 0.00 H new ATOM 0 HE21 GLN A 39 21.274 -2.544 2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.371 -4.052 2.918 1.00 0.00 H new ATOM 602 N VAL A 40 23.024 0.567 -1.168 1.00 0.00 N ATOM 603 CA VAL A 40 22.365 1.746 -1.714 1.00 0.00 C ATOM 604 C VAL A 40 21.254 1.258 -2.664 1.00 0.00 C ATOM 605 O VAL A 40 21.468 0.331 -3.478 1.00 0.00 O ATOM 606 CB VAL A 40 23.384 2.700 -2.461 1.00 0.00 C ATOM 607 CG1 VAL A 40 24.141 1.961 -3.595 1.00 0.00 C ATOM 608 CG2 VAL A 40 22.684 3.988 -2.986 1.00 0.00 C ATOM 0 H VAL A 40 23.073 -0.202 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 40 21.940 2.340 -0.905 1.00 0.00 H new ATOM 0 HB VAL A 40 24.128 3.010 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 40 24.830 2.651 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.701 1.126 -3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.425 1.586 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.415 4.618 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 40 21.894 3.714 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.252 4.535 -2.148 1.00 0.00 H new ATOM 618 N VAL A 41 20.068 1.863 -2.532 1.00 0.00 N ATOM 619 CA VAL A 41 18.916 1.568 -3.389 1.00 0.00 C ATOM 620 C VAL A 41 19.036 2.357 -4.709 1.00 0.00 C ATOM 621 O VAL A 41 19.271 3.561 -4.709 1.00 0.00 O ATOM 622 CB VAL A 41 17.567 1.895 -2.652 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.347 1.734 -3.582 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.412 1.026 -1.374 1.00 0.00 C ATOM 0 H VAL A 41 19.880 2.574 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 41 18.910 0.502 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 41 17.606 2.942 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.436 1.970 -3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.444 2.412 -4.430 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.297 0.706 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 41 16.471 1.270 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.415 -0.029 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.241 1.227 -0.695 1.00 0.00 H new ATOM 634 N LEU A 42 18.889 1.637 -5.818 1.00 0.00 N ATOM 635 CA LEU A 42 19.008 2.152 -7.182 1.00 0.00 C ATOM 636 C LEU A 42 17.654 1.988 -7.885 1.00 0.00 C ATOM 637 O LEU A 42 17.113 0.879 -7.929 1.00 0.00 O ATOM 638 CB LEU A 42 20.098 1.338 -7.946 1.00 0.00 C ATOM 639 CG LEU A 42 21.469 1.150 -7.220 1.00 0.00 C ATOM 640 CD1 LEU A 42 22.392 0.204 -8.015 1.00 0.00 C ATOM 641 CD2 LEU A 42 22.159 2.501 -6.947 1.00 0.00 C ATOM 0 H LEU A 42 18.675 0.640 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 42 19.292 3.204 -7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.692 0.351 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 42 20.283 1.829 -8.901 1.00 0.00 H new ATOM 0 HG LEU A 42 21.266 0.688 -6.254 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.339 0.091 -7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.914 -0.771 -8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.576 0.622 -9.005 1.00 0.00 H new ATOM 0 HD21 LEU A 42 23.109 2.329 -6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 42 22.339 3.015 -7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.518 3.116 -6.315 1.00 0.00 H new ATOM 653 N LEU A 43 17.092 3.082 -8.405 1.00 0.00 N ATOM 654 CA LEU A 43 15.891 3.032 -9.247 1.00 0.00 C ATOM 655 C LEU A 43 16.320 3.140 -10.720 1.00 0.00 C ATOM 656 O LEU A 43 16.799 4.193 -11.158 1.00 0.00 O ATOM 657 CB LEU A 43 14.911 4.155 -8.838 1.00 0.00 C ATOM 658 CG LEU A 43 13.535 4.193 -9.580 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.791 2.832 -9.514 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.654 5.337 -9.022 1.00 0.00 C ATOM 0 H LEU A 43 17.454 4.024 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 43 15.364 2.087 -9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.718 4.065 -7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.408 5.113 -8.993 1.00 0.00 H new ATOM 0 HG LEU A 43 13.737 4.387 -10.633 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.842 2.910 -10.044 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.403 2.060 -9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.605 2.569 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.700 5.351 -9.548 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.480 5.176 -7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.162 6.291 -9.166 1.00 0.00 H new ATOM 672 N ALA A 44 16.218 1.999 -11.442 1.00 0.00 N ATOM 673 CA ALA A 44 16.684 1.842 -12.839 1.00 0.00 C ATOM 674 C ALA A 44 18.214 2.063 -12.968 1.00 0.00 C ATOM 675 O ALA A 44 18.725 2.346 -14.062 1.00 0.00 O ATOM 676 CB ALA A 44 15.878 2.752 -13.793 1.00 0.00 C ATOM 0 H ALA A 44 15.803 1.148 -11.063 1.00 0.00 H new ATOM 0 HA ALA A 44 16.499 0.810 -13.138 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.238 2.619 -14.813 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.822 2.486 -13.744 1.00 0.00 H new ATOM 0 HB3 ALA A 44 16.004 3.793 -13.496 1.00 0.00 H new ATOM 682 N GLY A 45 18.940 1.880 -11.839 1.00 0.00 N ATOM 683 CA GLY A 45 20.392 2.078 -11.778 1.00 0.00 C ATOM 684 C GLY A 45 20.795 3.375 -11.073 1.00 0.00 C ATOM 685 O GLY A 45 21.928 3.488 -10.592 1.00 0.00 O ATOM 0 H GLY A 45 18.528 1.592 -10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.846 1.234 -11.259 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.794 2.083 -12.791 1.00 0.00 H new ATOM 689 N ALA A 46 19.865 4.349 -10.990 1.00 0.00 N ATOM 690 CA ALA A 46 20.132 5.685 -10.416 1.00 0.00 C ATOM 691 C ALA A 46 19.975 5.658 -8.869 1.00 0.00 C ATOM 692 O ALA A 46 18.893 5.333 -8.384 1.00 0.00 O ATOM 693 CB ALA A 46 19.186 6.726 -11.036 1.00 0.00 C ATOM 0 H ALA A 46 18.907 4.231 -11.319 1.00 0.00 H new ATOM 0 HA ALA A 46 21.160 5.964 -10.649 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.392 7.706 -10.606 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.342 6.763 -12.114 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.153 6.448 -10.828 1.00 0.00 H new ATOM 699 N PRO A 47 21.052 5.997 -8.078 1.00 0.00 N ATOM 700 CA PRO A 47 21.011 5.970 -6.588 1.00 0.00 C ATOM 701 C PRO A 47 19.991 6.967 -5.993 1.00 0.00 C ATOM 702 O PRO A 47 20.060 8.171 -6.267 1.00 0.00 O ATOM 703 CB PRO A 47 22.468 6.343 -6.169 1.00 0.00 C ATOM 704 CG PRO A 47 23.291 6.104 -7.401 1.00 0.00 C ATOM 705 CD PRO A 47 22.387 6.432 -8.561 1.00 0.00 C ATOM 0 HA PRO A 47 20.687 4.998 -6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.533 7.381 -5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.811 5.727 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 47 24.180 6.734 -7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.632 5.070 -7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 47 22.404 7.496 -8.797 1.00 0.00 H new ATOM 0 HD3 PRO A 47 22.682 5.900 -9.465 1.00 0.00 H new ATOM 713 N LEU A 48 19.032 6.440 -5.211 1.00 0.00 N ATOM 714 CA LEU A 48 18.054 7.238 -4.477 1.00 0.00 C ATOM 715 C LEU A 48 18.668 7.730 -3.161 1.00 0.00 C ATOM 716 O LEU A 48 19.585 7.097 -2.611 1.00 0.00 O ATOM 717 CB LEU A 48 16.783 6.390 -4.203 1.00 0.00 C ATOM 718 CG LEU A 48 16.053 5.833 -5.467 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.808 5.001 -5.073 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.688 6.974 -6.456 1.00 0.00 C ATOM 0 H LEU A 48 18.919 5.435 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 48 17.772 8.105 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.060 5.550 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.077 6.999 -3.638 1.00 0.00 H new ATOM 0 HG LEU A 48 16.743 5.165 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.321 4.627 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.114 4.161 -4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.111 5.629 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.181 6.554 -7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.029 7.687 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.597 7.482 -6.777 1.00 0.00 H new ATOM 732 N GLU A 49 18.164 8.865 -2.680 1.00 0.00 N ATOM 733 CA GLU A 49 18.541 9.432 -1.385 1.00 0.00 C ATOM 734 C GLU A 49 17.902 8.590 -0.277 1.00 0.00 C ATOM 735 O GLU A 49 16.674 8.564 -0.140 1.00 0.00 O ATOM 736 CB GLU A 49 18.083 10.911 -1.323 1.00 0.00 C ATOM 737 CG GLU A 49 18.701 11.790 -2.441 1.00 0.00 C ATOM 738 CD GLU A 49 18.004 13.143 -2.608 1.00 0.00 C ATOM 739 OE1 GLU A 49 17.002 13.206 -3.357 1.00 0.00 O ATOM 740 OE2 GLU A 49 18.432 14.136 -1.989 1.00 0.00 O ATOM 0 H GLU A 49 17.475 9.423 -3.183 1.00 0.00 H new ATOM 0 HA GLU A 49 19.622 9.413 -1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 49 16.996 10.951 -1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.352 11.327 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.755 11.958 -2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.656 11.248 -3.385 1.00 0.00 H new ATOM 747 N ASP A 50 18.745 7.850 0.455 1.00 0.00 N ATOM 748 CA ASP A 50 18.298 6.935 1.523 1.00 0.00 C ATOM 749 C ASP A 50 17.610 7.700 2.674 1.00 0.00 C ATOM 750 O ASP A 50 16.638 7.222 3.264 1.00 0.00 O ATOM 751 CB ASP A 50 19.474 6.065 2.037 1.00 0.00 C ATOM 752 CG ASP A 50 20.625 6.865 2.674 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.156 7.787 2.015 1.00 0.00 O ATOM 754 OD2 ASP A 50 21.043 6.537 3.802 1.00 0.00 O ATOM 0 H ASP A 50 19.757 7.866 0.326 1.00 0.00 H new ATOM 0 HA ASP A 50 17.553 6.264 1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.092 5.355 2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 50 19.870 5.482 1.205 1.00 0.00 H new ATOM 759 N GLU A 51 18.080 8.925 2.912 1.00 0.00 N ATOM 760 CA GLU A 51 17.551 9.820 3.954 1.00 0.00 C ATOM 761 C GLU A 51 16.144 10.355 3.578 1.00 0.00 C ATOM 762 O GLU A 51 15.407 10.842 4.447 1.00 0.00 O ATOM 763 CB GLU A 51 18.550 10.983 4.179 1.00 0.00 C ATOM 764 CG GLU A 51 18.931 11.754 2.894 1.00 0.00 C ATOM 765 CD GLU A 51 19.841 12.963 3.157 1.00 0.00 C ATOM 766 OE1 GLU A 51 21.077 12.798 3.210 1.00 0.00 O ATOM 767 OE2 GLU A 51 19.316 14.086 3.327 1.00 0.00 O ATOM 0 H GLU A 51 18.850 9.334 2.382 1.00 0.00 H new ATOM 0 HA GLU A 51 17.439 9.259 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.119 11.683 4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.458 10.584 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.433 11.074 2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.021 12.094 2.399 1.00 0.00 H new ATOM 774 N ALA A 52 15.794 10.256 2.277 1.00 0.00 N ATOM 775 CA ALA A 52 14.482 10.676 1.748 1.00 0.00 C ATOM 776 C ALA A 52 13.442 9.537 1.875 1.00 0.00 C ATOM 777 O ALA A 52 13.809 8.354 1.891 1.00 0.00 O ATOM 778 CB ALA A 52 14.613 11.136 0.278 1.00 0.00 C ATOM 0 H ALA A 52 16.418 9.881 1.563 1.00 0.00 H new ATOM 0 HA ALA A 52 14.130 11.519 2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.636 11.442 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.304 11.977 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.992 10.313 -0.328 1.00 0.00 H new ATOM 784 N THR A 53 12.148 9.914 1.967 1.00 0.00 N ATOM 785 CA THR A 53 11.022 8.962 2.057 1.00 0.00 C ATOM 786 C THR A 53 10.637 8.454 0.657 1.00 0.00 C ATOM 787 O THR A 53 10.925 9.114 -0.341 1.00 0.00 O ATOM 788 CB THR A 53 9.781 9.621 2.741 1.00 0.00 C ATOM 789 OG1 THR A 53 9.306 10.721 1.952 1.00 0.00 O ATOM 790 CG2 THR A 53 10.117 10.117 4.157 1.00 0.00 C ATOM 0 H THR A 53 11.855 10.891 1.981 1.00 0.00 H new ATOM 0 HA THR A 53 11.345 8.119 2.668 1.00 0.00 H new ATOM 0 HB THR A 53 9.004 8.860 2.817 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.340 10.631 1.814 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.232 10.570 4.604 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.443 9.276 4.769 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.915 10.857 4.103 1.00 0.00 H new ATOM 798 N LEU A 54 9.972 7.286 0.604 1.00 0.00 N ATOM 799 CA LEU A 54 9.524 6.649 -0.653 1.00 0.00 C ATOM 800 C LEU A 54 8.491 7.537 -1.392 1.00 0.00 C ATOM 801 O LEU A 54 8.474 7.593 -2.627 1.00 0.00 O ATOM 802 CB LEU A 54 8.914 5.252 -0.335 1.00 0.00 C ATOM 803 CG LEU A 54 9.879 4.214 0.322 1.00 0.00 C ATOM 804 CD1 LEU A 54 9.129 2.930 0.723 1.00 0.00 C ATOM 805 CD2 LEU A 54 11.082 3.895 -0.590 1.00 0.00 C ATOM 0 H LEU A 54 9.727 6.751 1.437 1.00 0.00 H new ATOM 0 HA LEU A 54 10.385 6.527 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.060 5.393 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.531 4.826 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 54 10.272 4.669 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.828 2.227 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.344 3.175 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.684 2.477 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.730 3.169 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.724 3.481 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.643 4.809 -0.785 1.00 0.00 H new ATOM 817 N GLY A 55 7.651 8.233 -0.601 1.00 0.00 N ATOM 818 CA GLY A 55 6.617 9.120 -1.128 1.00 0.00 C ATOM 819 C GLY A 55 7.208 10.340 -1.829 1.00 0.00 C ATOM 820 O GLY A 55 6.811 10.671 -2.953 1.00 0.00 O ATOM 0 H GLY A 55 7.677 8.190 0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.990 8.569 -1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.972 9.448 -0.313 1.00 0.00 H new ATOM 824 N GLN A 56 8.191 10.985 -1.170 1.00 0.00 N ATOM 825 CA GLN A 56 8.877 12.185 -1.712 1.00 0.00 C ATOM 826 C GLN A 56 9.823 11.805 -2.867 1.00 0.00 C ATOM 827 O GLN A 56 10.038 12.603 -3.776 1.00 0.00 O ATOM 828 CB GLN A 56 9.639 12.933 -0.587 1.00 0.00 C ATOM 829 CG GLN A 56 8.726 13.477 0.537 1.00 0.00 C ATOM 830 CD GLN A 56 7.693 14.503 0.054 1.00 0.00 C ATOM 831 OE1 GLN A 56 7.946 15.277 -0.865 1.00 0.00 O ATOM 832 NE2 GLN A 56 6.523 14.518 0.669 1.00 0.00 N ATOM 0 H GLN A 56 8.533 10.695 -0.254 1.00 0.00 H new ATOM 0 HA GLN A 56 8.120 12.859 -2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.374 12.258 -0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.191 13.764 -1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.204 12.642 1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.347 13.935 1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.338 13.864 1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.805 15.183 0.383 1.00 0.00 H new ATOM 841 N CYS A 57 10.370 10.577 -2.812 1.00 0.00 N ATOM 842 CA CYS A 57 11.186 9.992 -3.899 1.00 0.00 C ATOM 843 C CYS A 57 10.327 9.722 -5.154 1.00 0.00 C ATOM 844 O CYS A 57 10.842 9.704 -6.278 1.00 0.00 O ATOM 845 CB CYS A 57 11.859 8.687 -3.418 1.00 0.00 C ATOM 846 SG CYS A 57 12.845 7.856 -4.679 1.00 0.00 S ATOM 0 H CYS A 57 10.260 9.957 -2.009 1.00 0.00 H new ATOM 0 HA CYS A 57 11.960 10.711 -4.168 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.498 8.914 -2.564 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.088 8.002 -3.066 1.00 0.00 H new ATOM 0 HG CYS A 57 12.458 8.244 -5.858 1.00 0.00 H new ATOM 852 N GLY A 58 9.015 9.506 -4.936 1.00 0.00 N ATOM 853 CA GLY A 58 8.051 9.281 -6.018 1.00 0.00 C ATOM 854 C GLY A 58 7.960 7.825 -6.450 1.00 0.00 C ATOM 855 O GLY A 58 7.542 7.528 -7.578 1.00 0.00 O ATOM 0 H GLY A 58 8.600 9.484 -4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.067 9.619 -5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.331 9.891 -6.877 1.00 0.00 H new ATOM 859 N VAL A 59 8.356 6.912 -5.553 1.00 0.00 N ATOM 860 CA VAL A 59 8.259 5.460 -5.789 1.00 0.00 C ATOM 861 C VAL A 59 6.989 4.909 -5.103 1.00 0.00 C ATOM 862 O VAL A 59 6.719 5.206 -3.930 1.00 0.00 O ATOM 863 CB VAL A 59 9.565 4.689 -5.343 1.00 0.00 C ATOM 864 CG1 VAL A 59 10.030 5.086 -3.932 1.00 0.00 C ATOM 865 CG2 VAL A 59 9.379 3.157 -5.451 1.00 0.00 C ATOM 0 H VAL A 59 8.752 7.155 -4.645 1.00 0.00 H new ATOM 0 HA VAL A 59 8.174 5.290 -6.862 1.00 0.00 H new ATOM 0 HB VAL A 59 10.353 4.988 -6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.930 4.528 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.246 6.154 -3.907 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.244 4.858 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.295 2.656 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.556 2.844 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.155 2.890 -6.484 1.00 0.00 H new ATOM 875 N GLU A 60 6.211 4.111 -5.865 1.00 0.00 N ATOM 876 CA GLU A 60 4.877 3.617 -5.457 1.00 0.00 C ATOM 877 C GLU A 60 4.842 2.071 -5.444 1.00 0.00 C ATOM 878 O GLU A 60 5.892 1.414 -5.512 1.00 0.00 O ATOM 879 CB GLU A 60 3.805 4.215 -6.419 1.00 0.00 C ATOM 880 CG GLU A 60 4.030 3.894 -7.920 1.00 0.00 C ATOM 881 CD GLU A 60 3.033 4.605 -8.850 1.00 0.00 C ATOM 882 OE1 GLU A 60 3.232 5.802 -9.139 1.00 0.00 O ATOM 883 OE2 GLU A 60 2.032 3.986 -9.268 1.00 0.00 O ATOM 0 H GLU A 60 6.494 3.788 -6.790 1.00 0.00 H new ATOM 0 HA GLU A 60 4.657 3.942 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.824 3.842 -6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.786 5.297 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.044 4.182 -8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.952 2.817 -8.070 1.00 0.00 H new ATOM 890 N ALA A 61 3.629 1.497 -5.329 1.00 0.00 N ATOM 891 CA ALA A 61 3.413 0.040 -5.399 1.00 0.00 C ATOM 892 C ALA A 61 3.707 -0.497 -6.814 1.00 0.00 C ATOM 893 O ALA A 61 3.726 0.269 -7.784 1.00 0.00 O ATOM 894 CB ALA A 61 1.974 -0.301 -4.977 1.00 0.00 C ATOM 0 H ALA A 61 2.772 2.031 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 61 4.105 -0.444 -4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.825 -1.379 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.805 0.037 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.271 0.197 -5.645 1.00 0.00 H new ATOM 900 N LEU A 62 3.952 -1.823 -6.902 1.00 0.00 N ATOM 901 CA LEU A 62 4.256 -2.546 -8.162 1.00 0.00 C ATOM 902 C LEU A 62 5.547 -2.029 -8.842 1.00 0.00 C ATOM 903 O LEU A 62 5.786 -2.284 -10.030 1.00 0.00 O ATOM 904 CB LEU A 62 3.025 -2.547 -9.139 1.00 0.00 C ATOM 905 CG LEU A 62 1.843 -3.523 -8.786 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.332 -4.989 -8.684 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.080 -3.090 -7.510 1.00 0.00 C ATOM 0 H LEU A 62 3.944 -2.434 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 62 4.451 -3.584 -7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.627 -1.533 -9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.384 -2.795 -10.138 1.00 0.00 H new ATOM 0 HG LEU A 62 1.132 -3.465 -9.610 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.491 -5.637 -8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.761 -5.297 -9.638 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.089 -5.067 -7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.274 -3.797 -7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.766 -3.074 -6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.661 -2.094 -7.657 1.00 0.00 H new ATOM 919 N THR A 63 6.391 -1.336 -8.057 1.00 0.00 N ATOM 920 CA THR A 63 7.714 -0.858 -8.496 1.00 0.00 C ATOM 921 C THR A 63 8.793 -1.808 -7.946 1.00 0.00 C ATOM 922 O THR A 63 8.532 -2.569 -7.014 1.00 0.00 O ATOM 923 CB THR A 63 7.950 0.614 -8.009 1.00 0.00 C ATOM 924 OG1 THR A 63 6.781 1.397 -8.296 1.00 0.00 O ATOM 925 CG2 THR A 63 9.174 1.281 -8.681 1.00 0.00 C ATOM 0 H THR A 63 6.172 -1.090 -7.092 1.00 0.00 H new ATOM 0 HA THR A 63 7.766 -0.855 -9.585 1.00 0.00 H new ATOM 0 HB THR A 63 8.147 0.571 -6.938 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.286 1.562 -7.466 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.287 2.298 -8.304 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.072 0.708 -8.452 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.026 1.308 -9.761 1.00 0.00 H new ATOM 933 N THR A 64 9.995 -1.779 -8.536 1.00 0.00 N ATOM 934 CA THR A 64 11.116 -2.647 -8.148 1.00 0.00 C ATOM 935 C THR A 64 12.355 -1.773 -7.905 1.00 0.00 C ATOM 936 O THR A 64 12.755 -0.990 -8.770 1.00 0.00 O ATOM 937 CB THR A 64 11.405 -3.737 -9.232 1.00 0.00 C ATOM 938 OG1 THR A 64 10.207 -4.502 -9.450 1.00 0.00 O ATOM 939 CG2 THR A 64 12.545 -4.695 -8.816 1.00 0.00 C ATOM 0 H THR A 64 10.219 -1.146 -9.304 1.00 0.00 H new ATOM 0 HA THR A 64 10.854 -3.177 -7.233 1.00 0.00 H new ATOM 0 HB THR A 64 11.720 -3.226 -10.142 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.376 -5.188 -10.129 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.706 -5.432 -9.603 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.461 -4.125 -8.660 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.273 -5.204 -7.891 1.00 0.00 H new ATOM 947 N LEU A 65 12.924 -1.904 -6.696 1.00 0.00 N ATOM 948 CA LEU A 65 14.089 -1.146 -6.234 1.00 0.00 C ATOM 949 C LEU A 65 15.288 -2.093 -6.146 1.00 0.00 C ATOM 950 O LEU A 65 15.206 -3.131 -5.507 1.00 0.00 O ATOM 951 CB LEU A 65 13.795 -0.499 -4.842 1.00 0.00 C ATOM 952 CG LEU A 65 12.706 0.635 -4.794 1.00 0.00 C ATOM 953 CD1 LEU A 65 13.023 1.755 -5.809 1.00 0.00 C ATOM 954 CD2 LEU A 65 11.281 0.069 -4.990 1.00 0.00 C ATOM 0 H LEU A 65 12.574 -2.559 -5.997 1.00 0.00 H new ATOM 0 HA LEU A 65 14.311 -0.343 -6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.489 -1.291 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.728 -0.088 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 65 12.736 1.077 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.253 2.525 -5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.993 2.194 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.047 1.338 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.557 0.883 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.217 -0.427 -5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.063 -0.649 -4.199 1.00 0.00 H new ATOM 966 N GLU A 66 16.398 -1.708 -6.764 1.00 0.00 N ATOM 967 CA GLU A 66 17.599 -2.543 -6.878 1.00 0.00 C ATOM 968 C GLU A 66 18.550 -2.214 -5.723 1.00 0.00 C ATOM 969 O GLU A 66 19.131 -1.138 -5.679 1.00 0.00 O ATOM 970 CB GLU A 66 18.243 -2.248 -8.254 1.00 0.00 C ATOM 971 CG GLU A 66 19.542 -3.012 -8.557 1.00 0.00 C ATOM 972 CD GLU A 66 20.048 -2.740 -9.982 1.00 0.00 C ATOM 973 OE1 GLU A 66 20.793 -1.761 -10.193 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.687 -3.503 -10.903 1.00 0.00 O ATOM 0 H GLU A 66 16.496 -0.795 -7.208 1.00 0.00 H new ATOM 0 HA GLU A 66 17.361 -3.605 -6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.516 -2.480 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.448 -1.179 -8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.309 -2.723 -7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.372 -4.081 -8.430 1.00 0.00 H new ATOM 981 N VAL A 67 18.673 -3.134 -4.760 1.00 0.00 N ATOM 982 CA VAL A 67 19.527 -2.922 -3.579 1.00 0.00 C ATOM 983 C VAL A 67 20.894 -3.549 -3.844 1.00 0.00 C ATOM 984 O VAL A 67 21.041 -4.776 -3.850 1.00 0.00 O ATOM 985 CB VAL A 67 18.883 -3.486 -2.259 1.00 0.00 C ATOM 986 CG1 VAL A 67 19.856 -3.383 -1.056 1.00 0.00 C ATOM 987 CG2 VAL A 67 17.558 -2.748 -1.951 1.00 0.00 C ATOM 0 H VAL A 67 18.193 -4.034 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 67 19.637 -1.850 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 67 18.671 -4.543 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 67 19.375 -3.783 -0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 67 20.759 -3.955 -1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 67 20.119 -2.338 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.123 -3.148 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 67 17.755 -1.684 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 67 16.861 -2.892 -2.777 1.00 0.00 H new ATOM 997 N ALA A 68 21.878 -2.678 -4.089 1.00 0.00 N ATOM 998 CA ALA A 68 23.243 -3.069 -4.448 1.00 0.00 C ATOM 999 C ALA A 68 24.239 -2.523 -3.421 1.00 0.00 C ATOM 1000 O ALA A 68 24.118 -1.374 -2.995 1.00 0.00 O ATOM 1001 CB ALA A 68 23.563 -2.553 -5.855 1.00 0.00 C ATOM 0 H ALA A 68 21.746 -1.668 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 68 23.325 -4.156 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 68 24.578 -2.842 -6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 68 22.860 -2.983 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.478 -1.466 -5.872 1.00 0.00 H new ATOM 1007 N GLY A 69 25.201 -3.362 -3.014 1.00 0.00 N ATOM 1008 CA GLY A 69 26.257 -2.951 -2.101 1.00 0.00 C ATOM 1009 C GLY A 69 27.369 -2.237 -2.857 1.00 0.00 C ATOM 1010 O GLY A 69 28.306 -2.879 -3.344 1.00 0.00 O ATOM 0 H GLY A 69 25.263 -4.336 -3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 69 25.848 -2.291 -1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 69 26.661 -3.823 -1.587 1.00 0.00 H new ATOM 1014 N ARG A 70 27.244 -0.905 -2.986 1.00 0.00 N ATOM 1015 CA ARG A 70 28.188 -0.067 -3.767 1.00 0.00 C ATOM 1016 C ARG A 70 28.881 0.975 -2.874 1.00 0.00 C ATOM 1017 O ARG A 70 29.944 1.499 -3.239 1.00 0.00 O ATOM 1018 CB ARG A 70 27.431 0.645 -4.924 1.00 0.00 C ATOM 1019 CG ARG A 70 26.799 -0.310 -5.968 1.00 0.00 C ATOM 1020 CD ARG A 70 26.052 0.450 -7.083 1.00 0.00 C ATOM 1021 NE ARG A 70 26.946 1.379 -7.797 1.00 0.00 N ATOM 1022 CZ ARG A 70 26.702 2.678 -8.046 1.00 0.00 C ATOM 1023 NH1 ARG A 70 25.594 3.262 -7.606 1.00 0.00 N ATOM 1024 NH2 ARG A 70 27.595 3.394 -8.716 1.00 0.00 N ATOM 0 H ARG A 70 26.488 -0.373 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 70 28.956 -0.720 -4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 70 26.644 1.267 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 70 28.123 1.314 -5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 70 27.580 -0.926 -6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 70 26.107 -0.986 -5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 70 25.628 -0.263 -7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 70 25.219 1.005 -6.651 1.00 0.00 H new ATOM 0 HE ARG A 70 27.832 1.002 -8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 70 24.912 2.725 -7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 70 25.424 4.248 -7.804 1.00 0.00 H new ATOM 0 HH21 ARG A 70 28.459 2.959 -9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 70 27.417 4.380 -8.909 1.00 0.00 H new ATOM 1038 N MET A 71 28.267 1.293 -1.722 1.00 0.00 N ATOM 1039 CA MET A 71 28.807 2.299 -0.789 1.00 0.00 C ATOM 1040 C MET A 71 29.957 1.678 0.036 1.00 0.00 C ATOM 1041 O MET A 71 31.010 2.298 0.203 1.00 0.00 O ATOM 1042 CB MET A 71 27.673 2.841 0.127 1.00 0.00 C ATOM 1043 CG MET A 71 28.081 3.999 1.046 1.00 0.00 C ATOM 1044 SD MET A 71 26.682 4.660 1.992 1.00 0.00 S ATOM 1045 CE MET A 71 25.609 5.304 0.699 1.00 0.00 C ATOM 0 H MET A 71 27.393 0.867 -1.413 1.00 0.00 H new ATOM 0 HA MET A 71 29.210 3.142 -1.351 1.00 0.00 H new ATOM 0 HB2 MET A 71 26.845 3.170 -0.501 1.00 0.00 H new ATOM 0 HB3 MET A 71 27.301 2.022 0.743 1.00 0.00 H new ATOM 0 HG2 MET A 71 28.853 3.657 1.736 1.00 0.00 H new ATOM 0 HG3 MET A 71 28.520 4.797 0.447 1.00 0.00 H new ATOM 0 HE1 MET A 71 24.906 6.017 1.131 1.00 0.00 H new ATOM 0 HE2 MET A 71 26.212 5.803 -0.059 1.00 0.00 H new ATOM 0 HE3 MET A 71 25.058 4.483 0.241 1.00 0.00 H new