USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 545 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 -69:sc= -0.674 USER MOD Set 1.2: A 23 GLN : amide:sc= 0.82 K(o=0.15,f=-2.9!) USER MOD Single : A 1 MET CE :methyl 173:sc= -0.017 (180deg=-0.12) USER MOD Single : A 1 MET N :NH3+ -158:sc= 0.739 (180deg=0.231) USER MOD Single : A 2 GLN : amide:sc= -0.0229 X(o=-0.023,f=-0.15) USER MOD Single : A 8 GLN : amide:sc= -0.634 K(o=-0.63,f=0) USER MOD Single : A 11 HIS : no HD1:sc= 0.406 K(o=0.41,f=-2.6!) USER MOD Single : A 12 THR OG1 : rot -80:sc= 0.118 USER MOD Single : A 16 THR OG1 : rot 80:sc= 0.357 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -144:sc= -0.78! (180deg=-1.85!) USER MOD Single : A 27 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.028) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.15 K(o=-2.2,f=-2.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.333 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 57 CYS SG : rot 73:sc= 0.679 USER MOD Single : A 63 THR OG1 : rot 108:sc= 0.378 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 71 MET CE :methyl -162:sc= -0.169 (180deg=-0.578) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.863 -0.240 0.716 1.00 0.00 N ATOM 2 CA MET A 1 2.432 -0.223 -0.646 1.00 0.00 C ATOM 3 C MET A 1 3.351 -1.443 -0.839 1.00 0.00 C ATOM 4 O MET A 1 4.512 -1.421 -0.428 1.00 0.00 O ATOM 5 CB MET A 1 3.205 1.107 -0.886 1.00 0.00 C ATOM 6 CG MET A 1 2.339 2.380 -0.856 1.00 0.00 C ATOM 7 SD MET A 1 3.325 3.902 -0.798 1.00 0.00 S ATOM 8 CE MET A 1 4.374 3.760 -2.251 1.00 0.00 C ATOM 0 H1 MET A 1 0.992 0.329 0.736 1.00 0.00 H new ATOM 0 H2 MET A 1 1.643 -1.219 0.988 1.00 0.00 H new ATOM 0 H3 MET A 1 2.552 0.159 1.385 1.00 0.00 H new ATOM 0 HA MET A 1 1.626 -0.280 -1.378 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.984 1.198 -0.129 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.705 1.049 -1.853 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.700 2.400 -1.739 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.681 2.346 0.012 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.931 4.687 -2.390 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.072 2.934 -2.116 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.756 3.573 -3.129 1.00 0.00 H new ATOM 18 N GLN A 2 2.800 -2.532 -1.400 1.00 0.00 N ATOM 19 CA GLN A 2 3.564 -3.756 -1.691 1.00 0.00 C ATOM 20 C GLN A 2 4.379 -3.564 -2.980 1.00 0.00 C ATOM 21 O GLN A 2 3.806 -3.311 -4.042 1.00 0.00 O ATOM 22 CB GLN A 2 2.613 -4.979 -1.833 1.00 0.00 C ATOM 23 CG GLN A 2 3.340 -6.314 -2.112 1.00 0.00 C ATOM 24 CD GLN A 2 2.408 -7.487 -2.427 1.00 0.00 C ATOM 25 OE1 GLN A 2 1.273 -7.547 -1.957 1.00 0.00 O ATOM 26 NE2 GLN A 2 2.890 -8.437 -3.216 1.00 0.00 N ATOM 0 H GLN A 2 1.816 -2.589 -1.664 1.00 0.00 H new ATOM 0 HA GLN A 2 4.244 -3.949 -0.861 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.029 -5.080 -0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.908 -4.786 -2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.023 -6.174 -2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.948 -6.571 -1.244 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.836 -8.358 -3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.315 -9.247 -3.449 1.00 0.00 H new ATOM 35 N LEU A 3 5.710 -3.677 -2.877 1.00 0.00 N ATOM 36 CA LEU A 3 6.625 -3.542 -4.020 1.00 0.00 C ATOM 37 C LEU A 3 7.793 -4.537 -3.898 1.00 0.00 C ATOM 38 O LEU A 3 8.004 -5.149 -2.849 1.00 0.00 O ATOM 39 CB LEU A 3 7.104 -2.058 -4.180 1.00 0.00 C ATOM 40 CG LEU A 3 7.615 -1.291 -2.902 1.00 0.00 C ATOM 41 CD1 LEU A 3 8.951 -1.849 -2.350 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.733 0.225 -3.195 1.00 0.00 C ATOM 0 H LEU A 3 6.185 -3.866 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 3 6.089 -3.795 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.907 -2.047 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.277 -1.486 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 3 6.871 -1.451 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.248 -1.278 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.822 -2.896 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.723 -1.766 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.087 0.742 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.439 0.384 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.757 0.618 -3.478 1.00 0.00 H new ATOM 54 N PHE A 4 8.545 -4.695 -4.988 1.00 0.00 N ATOM 55 CA PHE A 4 9.680 -5.630 -5.057 1.00 0.00 C ATOM 56 C PHE A 4 10.990 -4.852 -4.881 1.00 0.00 C ATOM 57 O PHE A 4 11.074 -3.677 -5.254 1.00 0.00 O ATOM 58 CB PHE A 4 9.672 -6.389 -6.415 1.00 0.00 C ATOM 59 CG PHE A 4 8.297 -6.946 -6.803 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.888 -8.214 -6.392 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.409 -6.188 -7.580 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.646 -8.707 -6.745 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.167 -6.684 -7.930 1.00 0.00 C ATOM 64 CZ PHE A 4 5.786 -7.945 -7.513 1.00 0.00 C ATOM 0 H PHE A 4 8.387 -4.179 -5.853 1.00 0.00 H new ATOM 0 HA PHE A 4 9.592 -6.366 -4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.015 -5.715 -7.200 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.386 -7.211 -6.366 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.550 -8.819 -5.790 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.700 -5.202 -7.910 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.346 -9.692 -6.419 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.495 -6.087 -8.529 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.817 -8.335 -7.787 1.00 0.00 H new ATOM 74 N VAL A 5 11.993 -5.504 -4.283 1.00 0.00 N ATOM 75 CA VAL A 5 13.354 -4.982 -4.163 1.00 0.00 C ATOM 76 C VAL A 5 14.321 -6.107 -4.570 1.00 0.00 C ATOM 77 O VAL A 5 14.483 -7.113 -3.853 1.00 0.00 O ATOM 78 CB VAL A 5 13.677 -4.462 -2.708 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.167 -4.098 -2.557 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.778 -3.253 -2.316 1.00 0.00 C ATOM 0 H VAL A 5 11.877 -6.426 -3.862 1.00 0.00 H new ATOM 0 HA VAL A 5 13.465 -4.118 -4.818 1.00 0.00 H new ATOM 0 HB VAL A 5 13.456 -5.280 -2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.354 -3.744 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.778 -4.979 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.424 -3.313 -3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.030 -2.924 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.943 -2.435 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.731 -3.553 -2.348 1.00 0.00 H new ATOM 90 N ARG A 6 14.909 -5.941 -5.755 1.00 0.00 N ATOM 91 CA ARG A 6 15.847 -6.877 -6.335 1.00 0.00 C ATOM 92 C ARG A 6 17.224 -6.739 -5.660 1.00 0.00 C ATOM 93 O ARG A 6 18.022 -5.870 -6.000 1.00 0.00 O ATOM 94 CB ARG A 6 15.936 -6.634 -7.870 1.00 0.00 C ATOM 95 CG ARG A 6 16.803 -7.652 -8.647 1.00 0.00 C ATOM 96 CD ARG A 6 16.318 -9.107 -8.485 1.00 0.00 C ATOM 97 NE ARG A 6 17.059 -10.023 -9.369 1.00 0.00 N ATOM 98 CZ ARG A 6 17.603 -11.198 -9.015 1.00 0.00 C ATOM 99 NH1 ARG A 6 17.669 -11.570 -7.739 1.00 0.00 N ATOM 100 NH2 ARG A 6 18.133 -11.966 -9.948 1.00 0.00 N ATOM 0 H ARG A 6 14.735 -5.128 -6.346 1.00 0.00 H new ATOM 0 HA ARG A 6 15.501 -7.897 -6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.928 -6.649 -8.283 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.336 -5.635 -8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 6 16.800 -7.390 -9.705 1.00 0.00 H new ATOM 0 HG3 ARG A 6 17.835 -7.579 -8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.442 -9.420 -7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.253 -9.164 -8.710 1.00 0.00 H new ATOM 0 HE ARG A 6 17.169 -9.738 -10.342 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.302 -10.958 -7.010 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.086 -12.467 -7.490 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.125 -11.664 -10.922 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.550 -12.862 -9.695 1.00 0.00 H new ATOM 114 N ALA A 7 17.437 -7.556 -4.637 1.00 0.00 N ATOM 115 CA ALA A 7 18.773 -7.889 -4.129 1.00 0.00 C ATOM 116 C ALA A 7 19.240 -9.148 -4.883 1.00 0.00 C ATOM 117 O ALA A 7 18.527 -9.617 -5.793 1.00 0.00 O ATOM 118 CB ALA A 7 18.733 -8.106 -2.604 1.00 0.00 C ATOM 0 H ALA A 7 16.682 -8.014 -4.127 1.00 0.00 H new ATOM 0 HA ALA A 7 19.477 -7.075 -4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.732 -8.352 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.386 -7.195 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.052 -8.925 -2.371 1.00 0.00 H new ATOM 124 N GLN A 8 20.442 -9.665 -4.559 1.00 0.00 N ATOM 125 CA GLN A 8 20.933 -10.964 -5.101 1.00 0.00 C ATOM 126 C GLN A 8 19.881 -12.094 -4.896 1.00 0.00 C ATOM 127 O GLN A 8 19.792 -13.035 -5.698 1.00 0.00 O ATOM 128 CB GLN A 8 22.296 -11.334 -4.461 1.00 0.00 C ATOM 129 CG GLN A 8 22.287 -11.444 -2.922 1.00 0.00 C ATOM 130 CD GLN A 8 23.641 -11.835 -2.315 1.00 0.00 C ATOM 131 OE1 GLN A 8 23.976 -11.431 -1.208 1.00 0.00 O ATOM 132 NE2 GLN A 8 24.415 -12.650 -3.016 1.00 0.00 N ATOM 0 H GLN A 8 21.097 -9.208 -3.925 1.00 0.00 H new ATOM 0 HA GLN A 8 21.082 -10.854 -6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.629 -12.285 -4.876 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.032 -10.585 -4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.975 -10.488 -2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.541 -12.181 -2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 8 24.115 -12.973 -3.936 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.311 -12.954 -2.636 1.00 0.00 H new ATOM 141 N GLU A 9 19.091 -11.963 -3.810 1.00 0.00 N ATOM 142 CA GLU A 9 17.809 -12.669 -3.635 1.00 0.00 C ATOM 143 C GLU A 9 16.664 -11.647 -3.804 1.00 0.00 C ATOM 144 O GLU A 9 16.716 -10.566 -3.201 1.00 0.00 O ATOM 145 CB GLU A 9 17.729 -13.321 -2.229 1.00 0.00 C ATOM 146 CG GLU A 9 18.783 -14.409 -1.960 1.00 0.00 C ATOM 147 CD GLU A 9 18.759 -15.559 -2.985 1.00 0.00 C ATOM 148 OE1 GLU A 9 17.762 -16.315 -3.025 1.00 0.00 O ATOM 149 OE2 GLU A 9 19.721 -15.704 -3.771 1.00 0.00 O ATOM 0 H GLU A 9 19.329 -11.358 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 9 17.725 -13.461 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.833 -12.540 -1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.738 -13.756 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.773 -13.952 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.623 -14.819 -0.963 1.00 0.00 H new ATOM 156 N LEU A 10 15.653 -11.967 -4.633 1.00 0.00 N ATOM 157 CA LEU A 10 14.475 -11.091 -4.828 1.00 0.00 C ATOM 158 C LEU A 10 13.595 -11.157 -3.564 1.00 0.00 C ATOM 159 O LEU A 10 13.213 -12.248 -3.127 1.00 0.00 O ATOM 160 CB LEU A 10 13.686 -11.514 -6.121 1.00 0.00 C ATOM 161 CG LEU A 10 12.477 -10.604 -6.608 1.00 0.00 C ATOM 162 CD1 LEU A 10 11.187 -10.775 -5.758 1.00 0.00 C ATOM 163 CD2 LEU A 10 12.882 -9.110 -6.686 1.00 0.00 C ATOM 0 H LEU A 10 15.625 -12.827 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 10 14.792 -10.059 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.403 -11.578 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.298 -12.520 -5.958 1.00 0.00 H new ATOM 0 HG LEU A 10 12.237 -10.956 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.405 -10.124 -6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.854 -11.812 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.396 -10.510 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.030 -8.519 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.196 -8.766 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 10 13.706 -8.993 -7.390 1.00 0.00 H new ATOM 175 N HIS A 11 13.295 -9.986 -2.981 1.00 0.00 N ATOM 176 CA HIS A 11 12.431 -9.875 -1.788 1.00 0.00 C ATOM 177 C HIS A 11 11.279 -8.895 -2.066 1.00 0.00 C ATOM 178 O HIS A 11 11.450 -7.932 -2.807 1.00 0.00 O ATOM 179 CB HIS A 11 13.246 -9.397 -0.561 1.00 0.00 C ATOM 180 CG HIS A 11 14.380 -10.302 -0.164 1.00 0.00 C ATOM 181 ND1 HIS A 11 14.186 -11.529 0.429 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.726 -10.167 -0.295 1.00 0.00 C ATOM 183 CE1 HIS A 11 15.350 -12.104 0.638 1.00 0.00 C ATOM 184 NE2 HIS A 11 16.296 -11.299 0.211 1.00 0.00 N ATOM 0 H HIS A 11 13.642 -9.089 -3.320 1.00 0.00 H new ATOM 0 HA HIS A 11 12.021 -10.860 -1.566 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.648 -8.406 -0.773 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.570 -9.292 0.288 1.00 0.00 H new ATOM 0 HD2 HIS A 11 16.247 -9.322 -0.720 1.00 0.00 H new ATOM 0 HE1 HIS A 11 15.503 -13.075 1.086 1.00 0.00 H new ATOM 0 HE2 HIS A 11 17.297 -11.490 0.251 1.00 0.00 H new ATOM 193 N THR A 12 10.103 -9.163 -1.484 1.00 0.00 N ATOM 194 CA THR A 12 8.929 -8.276 -1.576 1.00 0.00 C ATOM 195 C THR A 12 8.691 -7.596 -0.208 1.00 0.00 C ATOM 196 O THR A 12 8.635 -8.277 0.823 1.00 0.00 O ATOM 197 CB THR A 12 7.662 -9.084 -2.007 1.00 0.00 C ATOM 198 OG1 THR A 12 7.920 -9.760 -3.248 1.00 0.00 O ATOM 199 CG2 THR A 12 6.429 -8.185 -2.170 1.00 0.00 C ATOM 0 H THR A 12 9.935 -10.005 -0.933 1.00 0.00 H new ATOM 0 HA THR A 12 9.118 -7.513 -2.331 1.00 0.00 H new ATOM 0 HB THR A 12 7.450 -9.804 -1.216 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.822 -9.129 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.574 -8.791 -2.470 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.210 -7.692 -1.223 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.626 -7.432 -2.933 1.00 0.00 H new ATOM 207 N PHE A 13 8.566 -6.250 -0.209 1.00 0.00 N ATOM 208 CA PHE A 13 8.402 -5.430 1.010 1.00 0.00 C ATOM 209 C PHE A 13 7.087 -4.648 0.935 1.00 0.00 C ATOM 210 O PHE A 13 6.682 -4.185 -0.137 1.00 0.00 O ATOM 211 CB PHE A 13 9.585 -4.431 1.169 1.00 0.00 C ATOM 212 CG PHE A 13 10.946 -5.101 1.357 1.00 0.00 C ATOM 213 CD1 PHE A 13 11.694 -5.526 0.261 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.481 -5.300 2.628 1.00 0.00 C ATOM 215 CE1 PHE A 13 12.920 -6.130 0.430 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.710 -5.909 2.789 1.00 0.00 C ATOM 217 CZ PHE A 13 13.430 -6.319 1.695 1.00 0.00 C ATOM 0 H PHE A 13 8.576 -5.697 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 13 8.388 -6.097 1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.626 -3.790 0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.389 -3.785 2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 13 11.306 -5.380 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 13 10.928 -4.974 3.497 1.00 0.00 H new ATOM 0 HE1 PHE A 13 13.483 -6.456 -0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.107 -6.063 3.782 1.00 0.00 H new ATOM 0 HZ PHE A 13 14.394 -6.789 1.826 1.00 0.00 H new ATOM 227 N GLU A 14 6.420 -4.504 2.084 1.00 0.00 N ATOM 228 CA GLU A 14 5.238 -3.643 2.228 1.00 0.00 C ATOM 229 C GLU A 14 5.659 -2.388 2.997 1.00 0.00 C ATOM 230 O GLU A 14 5.964 -2.448 4.196 1.00 0.00 O ATOM 231 CB GLU A 14 4.096 -4.403 2.943 1.00 0.00 C ATOM 232 CG GLU A 14 3.575 -5.614 2.140 1.00 0.00 C ATOM 233 CD GLU A 14 2.420 -6.346 2.829 1.00 0.00 C ATOM 234 OE1 GLU A 14 1.268 -5.872 2.732 1.00 0.00 O ATOM 235 OE2 GLU A 14 2.657 -7.390 3.474 1.00 0.00 O ATOM 0 H GLU A 14 6.684 -4.983 2.945 1.00 0.00 H new ATOM 0 HA GLU A 14 4.853 -3.353 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.449 -4.745 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.271 -3.715 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.247 -5.275 1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.395 -6.314 1.979 1.00 0.00 H new ATOM 242 N VAL A 15 5.682 -1.255 2.282 1.00 0.00 N ATOM 243 CA VAL A 15 6.225 0.012 2.769 1.00 0.00 C ATOM 244 C VAL A 15 5.072 0.991 3.029 1.00 0.00 C ATOM 245 O VAL A 15 4.011 0.903 2.391 1.00 0.00 O ATOM 246 CB VAL A 15 7.250 0.610 1.719 1.00 0.00 C ATOM 247 CG1 VAL A 15 8.271 -0.466 1.262 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.551 1.250 0.490 1.00 0.00 C ATOM 0 H VAL A 15 5.316 -1.197 1.332 1.00 0.00 H new ATOM 0 HA VAL A 15 6.762 -0.156 3.702 1.00 0.00 H new ATOM 0 HB VAL A 15 7.784 1.409 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.962 -0.029 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.828 -0.829 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.740 -1.297 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.304 1.642 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.953 0.496 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.904 2.062 0.821 1.00 0.00 H new ATOM 258 N THR A 16 5.283 1.900 3.984 1.00 0.00 N ATOM 259 CA THR A 16 4.246 2.847 4.436 1.00 0.00 C ATOM 260 C THR A 16 4.125 4.069 3.480 1.00 0.00 C ATOM 261 O THR A 16 3.154 4.831 3.559 1.00 0.00 O ATOM 262 CB THR A 16 4.563 3.309 5.902 1.00 0.00 C ATOM 263 OG1 THR A 16 4.906 2.158 6.698 1.00 0.00 O ATOM 264 CG2 THR A 16 3.376 4.035 6.575 1.00 0.00 C ATOM 0 H THR A 16 6.174 2.005 4.469 1.00 0.00 H new ATOM 0 HA THR A 16 3.283 2.337 4.420 1.00 0.00 H new ATOM 0 HB THR A 16 5.391 4.015 5.841 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.837 1.906 6.524 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.656 4.330 7.586 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.117 4.922 5.997 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.517 3.366 6.617 1.00 0.00 H new ATOM 272 N GLY A 17 5.102 4.228 2.557 1.00 0.00 N ATOM 273 CA GLY A 17 5.174 5.402 1.674 1.00 0.00 C ATOM 274 C GLY A 17 6.055 6.478 2.290 1.00 0.00 C ATOM 275 O GLY A 17 7.037 6.920 1.683 1.00 0.00 O ATOM 0 H GLY A 17 5.851 3.552 2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.572 5.110 0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.173 5.797 1.502 1.00 0.00 H new ATOM 279 N GLN A 18 5.697 6.876 3.532 1.00 0.00 N ATOM 280 CA GLN A 18 6.549 7.710 4.416 1.00 0.00 C ATOM 281 C GLN A 18 7.690 6.861 5.042 1.00 0.00 C ATOM 282 O GLN A 18 8.461 7.344 5.881 1.00 0.00 O ATOM 283 CB GLN A 18 5.680 8.370 5.517 1.00 0.00 C ATOM 284 CG GLN A 18 4.945 7.375 6.436 1.00 0.00 C ATOM 285 CD GLN A 18 3.967 8.059 7.395 1.00 0.00 C ATOM 286 OE1 GLN A 18 2.795 8.244 7.073 1.00 0.00 O ATOM 287 NE2 GLN A 18 4.441 8.446 8.568 1.00 0.00 N ATOM 0 H GLN A 18 4.802 6.627 3.954 1.00 0.00 H new ATOM 0 HA GLN A 18 7.011 8.497 3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.316 9.008 6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.943 9.017 5.041 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.402 6.656 5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.678 6.812 7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.419 8.277 8.804 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.829 8.913 9.237 1.00 0.00 H new ATOM 296 N GLU A 19 7.744 5.579 4.641 1.00 0.00 N ATOM 297 CA GLU A 19 8.883 4.685 4.846 1.00 0.00 C ATOM 298 C GLU A 19 10.120 5.286 4.138 1.00 0.00 C ATOM 299 O GLU A 19 10.074 5.494 2.920 1.00 0.00 O ATOM 300 CB GLU A 19 8.523 3.302 4.221 1.00 0.00 C ATOM 301 CG GLU A 19 9.368 2.109 4.703 1.00 0.00 C ATOM 302 CD GLU A 19 8.986 1.639 6.110 1.00 0.00 C ATOM 303 OE1 GLU A 19 7.802 1.273 6.311 1.00 0.00 O ATOM 304 OE2 GLU A 19 9.849 1.629 7.009 1.00 0.00 O ATOM 0 H GLU A 19 6.971 5.129 4.152 1.00 0.00 H new ATOM 0 HA GLU A 19 9.106 4.565 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.475 3.090 4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.620 3.378 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.250 1.281 4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.422 2.388 4.692 1.00 0.00 H new ATOM 311 N THR A 20 11.188 5.619 4.888 1.00 0.00 N ATOM 312 CA THR A 20 12.411 6.196 4.290 1.00 0.00 C ATOM 313 C THR A 20 13.242 5.109 3.591 1.00 0.00 C ATOM 314 O THR A 20 13.120 3.916 3.896 1.00 0.00 O ATOM 315 CB THR A 20 13.312 6.947 5.333 1.00 0.00 C ATOM 316 OG1 THR A 20 13.731 6.049 6.366 1.00 0.00 O ATOM 317 CG2 THR A 20 12.598 8.153 5.958 1.00 0.00 C ATOM 0 H THR A 20 11.231 5.500 5.900 1.00 0.00 H new ATOM 0 HA THR A 20 12.069 6.931 3.561 1.00 0.00 H new ATOM 0 HB THR A 20 14.182 7.320 4.792 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.958 5.796 6.913 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.262 8.639 6.673 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.327 8.861 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.697 7.817 6.471 1.00 0.00 H new ATOM 325 N VAL A 21 14.098 5.548 2.657 1.00 0.00 N ATOM 326 CA VAL A 21 15.048 4.686 1.943 1.00 0.00 C ATOM 327 C VAL A 21 16.082 4.101 2.927 1.00 0.00 C ATOM 328 O VAL A 21 16.544 2.980 2.734 1.00 0.00 O ATOM 329 CB VAL A 21 15.734 5.494 0.774 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.020 4.821 0.246 1.00 0.00 C ATOM 331 CG2 VAL A 21 14.727 5.749 -0.383 1.00 0.00 C ATOM 0 H VAL A 21 14.150 6.526 2.373 1.00 0.00 H new ATOM 0 HA VAL A 21 14.514 3.847 1.496 1.00 0.00 H new ATOM 0 HB VAL A 21 16.039 6.452 1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.444 5.425 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 21 17.744 4.734 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.781 3.828 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.221 6.307 -1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.374 4.795 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.880 6.323 -0.008 1.00 0.00 H new ATOM 341 N ALA A 22 16.400 4.873 3.988 1.00 0.00 N ATOM 342 CA ALA A 22 17.252 4.413 5.101 1.00 0.00 C ATOM 343 C ALA A 22 16.659 3.154 5.760 1.00 0.00 C ATOM 344 O ALA A 22 17.366 2.158 5.954 1.00 0.00 O ATOM 345 CB ALA A 22 17.424 5.534 6.139 1.00 0.00 C ATOM 0 H ALA A 22 16.072 5.833 4.095 1.00 0.00 H new ATOM 0 HA ALA A 22 18.232 4.156 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.055 5.181 6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 22 17.891 6.398 5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.448 5.819 6.532 1.00 0.00 H new ATOM 351 N GLN A 23 15.338 3.211 6.055 1.00 0.00 N ATOM 352 CA GLN A 23 14.589 2.086 6.648 1.00 0.00 C ATOM 353 C GLN A 23 14.546 0.881 5.690 1.00 0.00 C ATOM 354 O GLN A 23 14.735 -0.249 6.126 1.00 0.00 O ATOM 355 CB GLN A 23 13.150 2.531 7.037 1.00 0.00 C ATOM 356 CG GLN A 23 13.093 3.567 8.184 1.00 0.00 C ATOM 357 CD GLN A 23 11.682 4.107 8.452 1.00 0.00 C ATOM 358 OE1 GLN A 23 11.265 5.107 7.862 1.00 0.00 O ATOM 359 NE2 GLN A 23 10.944 3.476 9.355 1.00 0.00 N ATOM 0 H GLN A 23 14.766 4.039 5.887 1.00 0.00 H new ATOM 0 HA GLN A 23 15.110 1.775 7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.662 2.952 6.158 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.576 1.651 7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.477 3.109 9.096 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.753 4.401 7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.312 2.651 9.829 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.008 3.815 9.576 1.00 0.00 H new ATOM 368 N ILE A 24 14.305 1.154 4.383 1.00 0.00 N ATOM 369 CA ILE A 24 14.294 0.118 3.307 1.00 0.00 C ATOM 370 C ILE A 24 15.631 -0.638 3.267 1.00 0.00 C ATOM 371 O ILE A 24 15.662 -1.864 3.314 1.00 0.00 O ATOM 372 CB ILE A 24 14.026 0.756 1.877 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.646 1.477 1.835 1.00 0.00 C ATOM 374 CG2 ILE A 24 14.136 -0.293 0.727 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.461 0.586 2.140 1.00 0.00 C ATOM 0 H ILE A 24 14.113 2.095 4.041 1.00 0.00 H new ATOM 0 HA ILE A 24 13.483 -0.572 3.542 1.00 0.00 H new ATOM 0 HB ILE A 24 14.809 1.496 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.659 2.300 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.510 1.915 0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 24 13.944 0.194 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 24 15.138 -0.723 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.403 -1.084 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.543 1.171 2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.417 -0.223 1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.569 0.167 3.141 1.00 0.00 H new ATOM 387 N LYS A 25 16.712 0.144 3.214 1.00 0.00 N ATOM 388 CA LYS A 25 18.092 -0.332 3.061 1.00 0.00 C ATOM 389 C LYS A 25 18.493 -1.210 4.259 1.00 0.00 C ATOM 390 O LYS A 25 19.021 -2.308 4.092 1.00 0.00 O ATOM 391 CB LYS A 25 18.990 0.922 2.936 1.00 0.00 C ATOM 392 CG LYS A 25 20.490 0.688 2.693 1.00 0.00 C ATOM 393 CD LYS A 25 21.232 2.038 2.519 1.00 0.00 C ATOM 394 CE LYS A 25 22.746 1.880 2.457 1.00 0.00 C ATOM 395 NZ LYS A 25 23.453 3.180 2.440 1.00 0.00 N ATOM 0 H LYS A 25 16.650 1.160 3.278 1.00 0.00 H new ATOM 0 HA LYS A 25 18.202 -0.956 2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 25 18.606 1.533 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 25 18.883 1.507 3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.918 0.137 3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.628 0.074 1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 25 20.885 2.522 1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.974 2.698 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 25 23.082 1.299 3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 25 23.012 1.314 1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 24.292 3.111 1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.817 3.916 2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.748 3.427 3.406 1.00 0.00 H new ATOM 409 N ALA A 26 18.161 -0.727 5.469 1.00 0.00 N ATOM 410 CA ALA A 26 18.441 -1.436 6.726 1.00 0.00 C ATOM 411 C ALA A 26 17.592 -2.720 6.848 1.00 0.00 C ATOM 412 O ALA A 26 18.080 -3.736 7.345 1.00 0.00 O ATOM 413 CB ALA A 26 18.222 -0.485 7.915 1.00 0.00 C ATOM 0 H ALA A 26 17.690 0.168 5.601 1.00 0.00 H new ATOM 0 HA ALA A 26 19.484 -1.754 6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.430 -1.012 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 26 18.892 0.370 7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.189 -0.138 7.918 1.00 0.00 H new ATOM 419 N HIS A 27 16.339 -2.671 6.351 1.00 0.00 N ATOM 420 CA HIS A 27 15.413 -3.822 6.369 1.00 0.00 C ATOM 421 C HIS A 27 15.970 -4.963 5.491 1.00 0.00 C ATOM 422 O HIS A 27 16.007 -6.123 5.924 1.00 0.00 O ATOM 423 CB HIS A 27 14.000 -3.380 5.874 1.00 0.00 C ATOM 424 CG HIS A 27 12.847 -4.264 6.315 1.00 0.00 C ATOM 425 ND1 HIS A 27 11.727 -3.772 6.956 1.00 0.00 N ATOM 426 CD2 HIS A 27 12.630 -5.597 6.187 1.00 0.00 C ATOM 427 CE1 HIS A 27 10.887 -4.756 7.193 1.00 0.00 C ATOM 428 NE2 HIS A 27 11.411 -5.869 6.736 1.00 0.00 N ATOM 0 H HIS A 27 15.941 -1.833 5.926 1.00 0.00 H new ATOM 0 HA HIS A 27 15.319 -4.190 7.391 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.812 -2.365 6.225 1.00 0.00 H new ATOM 0 HB3 HIS A 27 14.011 -3.343 4.785 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.300 -6.312 5.733 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.928 -4.664 7.681 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.976 -6.790 6.784 1.00 0.00 H new ATOM 437 N VAL A 28 16.429 -4.599 4.265 1.00 0.00 N ATOM 438 CA VAL A 28 17.040 -5.551 3.311 1.00 0.00 C ATOM 439 C VAL A 28 18.289 -6.193 3.939 1.00 0.00 C ATOM 440 O VAL A 28 18.460 -7.408 3.895 1.00 0.00 O ATOM 441 CB VAL A 28 17.439 -4.863 1.940 1.00 0.00 C ATOM 442 CG1 VAL A 28 18.092 -5.876 0.963 1.00 0.00 C ATOM 443 CG2 VAL A 28 16.226 -4.175 1.273 1.00 0.00 C ATOM 0 H VAL A 28 16.385 -3.642 3.915 1.00 0.00 H new ATOM 0 HA VAL A 28 16.290 -6.312 3.094 1.00 0.00 H new ATOM 0 HB VAL A 28 18.176 -4.095 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.352 -5.369 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.993 -6.289 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.390 -6.682 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.539 -3.715 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.452 -4.916 1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.831 -3.408 1.939 1.00 0.00 H new ATOM 453 N ALA A 29 19.134 -5.344 4.553 1.00 0.00 N ATOM 454 CA ALA A 29 20.389 -5.761 5.205 1.00 0.00 C ATOM 455 C ALA A 29 20.152 -6.758 6.349 1.00 0.00 C ATOM 456 O ALA A 29 20.904 -7.719 6.494 1.00 0.00 O ATOM 457 CB ALA A 29 21.126 -4.534 5.732 1.00 0.00 C ATOM 0 H ALA A 29 18.963 -4.340 4.611 1.00 0.00 H new ATOM 0 HA ALA A 29 20.994 -6.269 4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 29 22.053 -4.845 6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.355 -3.863 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.498 -4.015 6.456 1.00 0.00 H new ATOM 463 N SER A 30 19.099 -6.507 7.146 1.00 0.00 N ATOM 464 CA SER A 30 18.727 -7.355 8.289 1.00 0.00 C ATOM 465 C SER A 30 18.291 -8.754 7.809 1.00 0.00 C ATOM 466 O SER A 30 18.637 -9.766 8.435 1.00 0.00 O ATOM 467 CB SER A 30 17.609 -6.661 9.107 1.00 0.00 C ATOM 468 OG SER A 30 17.345 -7.336 10.327 1.00 0.00 O ATOM 0 H SER A 30 18.480 -5.707 7.014 1.00 0.00 H new ATOM 0 HA SER A 30 19.594 -7.490 8.936 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.900 -5.632 9.318 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.697 -6.619 8.511 1.00 0.00 H new ATOM 0 HG SER A 30 16.636 -6.867 10.814 1.00 0.00 H new ATOM 474 N LEU A 31 17.557 -8.801 6.674 1.00 0.00 N ATOM 475 CA LEU A 31 17.122 -10.071 6.059 1.00 0.00 C ATOM 476 C LEU A 31 18.309 -10.822 5.421 1.00 0.00 C ATOM 477 O LEU A 31 18.377 -12.055 5.476 1.00 0.00 O ATOM 478 CB LEU A 31 16.013 -9.817 5.008 1.00 0.00 C ATOM 479 CG LEU A 31 14.706 -9.136 5.544 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.648 -9.003 4.427 1.00 0.00 C ATOM 481 CD2 LEU A 31 14.128 -9.885 6.774 1.00 0.00 C ATOM 0 H LEU A 31 17.254 -7.970 6.166 1.00 0.00 H new ATOM 0 HA LEU A 31 16.714 -10.700 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.426 -9.193 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.743 -10.771 4.555 1.00 0.00 H new ATOM 0 HG LEU A 31 14.977 -8.133 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.753 -8.527 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.049 -8.395 3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.394 -9.992 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.223 -9.381 7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.889 -10.911 6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.865 -9.889 7.577 1.00 0.00 H new ATOM 493 N GLU A 32 19.237 -10.059 4.817 1.00 0.00 N ATOM 494 CA GLU A 32 20.469 -10.595 4.194 1.00 0.00 C ATOM 495 C GLU A 32 21.544 -10.933 5.258 1.00 0.00 C ATOM 496 O GLU A 32 22.536 -11.609 4.954 1.00 0.00 O ATOM 497 CB GLU A 32 21.026 -9.576 3.155 1.00 0.00 C ATOM 498 CG GLU A 32 20.105 -9.309 1.936 1.00 0.00 C ATOM 499 CD GLU A 32 19.836 -10.558 1.066 1.00 0.00 C ATOM 500 OE1 GLU A 32 18.914 -11.342 1.387 1.00 0.00 O ATOM 501 OE2 GLU A 32 20.550 -10.770 0.063 1.00 0.00 O ATOM 0 H GLU A 32 19.156 -9.045 4.745 1.00 0.00 H new ATOM 0 HA GLU A 32 20.214 -11.523 3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.214 -8.630 3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.987 -9.940 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.153 -8.915 2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.557 -8.536 1.314 1.00 0.00 H new ATOM 508 N GLY A 33 21.336 -10.440 6.497 1.00 0.00 N ATOM 509 CA GLY A 33 22.240 -10.696 7.625 1.00 0.00 C ATOM 510 C GLY A 33 23.557 -9.919 7.545 1.00 0.00 C ATOM 511 O GLY A 33 24.534 -10.290 8.205 1.00 0.00 O ATOM 0 H GLY A 33 20.536 -9.855 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 33 21.731 -10.437 8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.460 -11.763 7.669 1.00 0.00 H new ATOM 515 N ILE A 34 23.591 -8.860 6.714 1.00 0.00 N ATOM 516 CA ILE A 34 24.780 -7.998 6.524 1.00 0.00 C ATOM 517 C ILE A 34 24.518 -6.601 7.112 1.00 0.00 C ATOM 518 O ILE A 34 23.412 -6.316 7.588 1.00 0.00 O ATOM 519 CB ILE A 34 25.156 -7.869 4.994 1.00 0.00 C ATOM 520 CG1 ILE A 34 24.003 -7.171 4.188 1.00 0.00 C ATOM 521 CG2 ILE A 34 25.495 -9.264 4.386 1.00 0.00 C ATOM 522 CD1 ILE A 34 24.347 -6.866 2.742 1.00 0.00 C ATOM 0 H ILE A 34 22.790 -8.574 6.150 1.00 0.00 H new ATOM 0 HA ILE A 34 25.617 -8.462 7.045 1.00 0.00 H new ATOM 0 HB ILE A 34 26.045 -7.243 4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 34 23.120 -7.810 4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 34 23.737 -6.241 4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 34 25.750 -9.149 3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 34 26.341 -9.698 4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 34 24.631 -9.922 4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 34 23.496 -6.385 2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 34 25.209 -6.200 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 34 24.583 -7.794 2.221 1.00 0.00 H new ATOM 534 N ALA A 35 25.542 -5.735 7.070 1.00 0.00 N ATOM 535 CA ALA A 35 25.431 -4.341 7.518 1.00 0.00 C ATOM 536 C ALA A 35 24.811 -3.473 6.391 1.00 0.00 C ATOM 537 O ALA A 35 25.200 -3.618 5.222 1.00 0.00 O ATOM 538 CB ALA A 35 26.811 -3.797 7.938 1.00 0.00 C ATOM 0 H ALA A 35 26.469 -5.983 6.724 1.00 0.00 H new ATOM 0 HA ALA A 35 24.776 -4.298 8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 35 26.710 -2.763 8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 35 27.207 -4.401 8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.494 -3.842 7.089 1.00 0.00 H new ATOM 544 N PRO A 36 23.835 -2.549 6.718 1.00 0.00 N ATOM 545 CA PRO A 36 23.175 -1.660 5.717 1.00 0.00 C ATOM 546 C PRO A 36 24.176 -0.799 4.941 1.00 0.00 C ATOM 547 O PRO A 36 23.985 -0.555 3.756 1.00 0.00 O ATOM 548 CB PRO A 36 22.204 -0.785 6.566 1.00 0.00 C ATOM 549 CG PRO A 36 22.703 -0.916 7.975 1.00 0.00 C ATOM 550 CD PRO A 36 23.284 -2.309 8.078 1.00 0.00 C ATOM 0 HA PRO A 36 22.661 -2.234 4.946 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.217 0.254 6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.176 -1.135 6.476 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.457 -0.160 8.195 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.893 -0.776 8.691 1.00 0.00 H new ATOM 0 HD2 PRO A 36 24.059 -2.366 8.842 1.00 0.00 H new ATOM 0 HD3 PRO A 36 22.523 -3.044 8.340 1.00 0.00 H new ATOM 558 N GLU A 37 25.261 -0.397 5.629 1.00 0.00 N ATOM 559 CA GLU A 37 26.293 0.505 5.086 1.00 0.00 C ATOM 560 C GLU A 37 26.988 -0.059 3.828 1.00 0.00 C ATOM 561 O GLU A 37 27.502 0.719 3.027 1.00 0.00 O ATOM 562 CB GLU A 37 27.350 0.835 6.170 1.00 0.00 C ATOM 563 CG GLU A 37 28.159 -0.380 6.672 1.00 0.00 C ATOM 564 CD GLU A 37 29.228 -0.004 7.710 1.00 0.00 C ATOM 565 OE1 GLU A 37 28.862 0.293 8.866 1.00 0.00 O ATOM 566 OE2 GLU A 37 30.439 0.001 7.378 1.00 0.00 O ATOM 0 H GLU A 37 25.447 -0.693 6.587 1.00 0.00 H new ATOM 0 HA GLU A 37 25.777 1.417 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 37 28.043 1.575 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 37 26.847 1.296 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 37 27.476 -1.108 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 37 28.640 -0.865 5.823 1.00 0.00 H new ATOM 573 N ASP A 38 26.982 -1.407 3.662 1.00 0.00 N ATOM 574 CA ASP A 38 27.622 -2.088 2.504 1.00 0.00 C ATOM 575 C ASP A 38 26.775 -1.963 1.221 1.00 0.00 C ATOM 576 O ASP A 38 27.255 -2.257 0.119 1.00 0.00 O ATOM 577 CB ASP A 38 27.857 -3.595 2.812 1.00 0.00 C ATOM 578 CG ASP A 38 28.775 -3.840 4.022 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.942 -3.388 3.997 1.00 0.00 O ATOM 580 OD2 ASP A 38 28.353 -4.508 4.997 1.00 0.00 O ATOM 0 H ASP A 38 26.538 -2.048 4.320 1.00 0.00 H new ATOM 0 HA ASP A 38 28.578 -1.592 2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 38 26.895 -4.075 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 38 28.291 -4.073 1.934 1.00 0.00 H new ATOM 585 N GLN A 39 25.521 -1.525 1.373 1.00 0.00 N ATOM 586 CA GLN A 39 24.523 -1.506 0.290 1.00 0.00 C ATOM 587 C GLN A 39 24.302 -0.090 -0.264 1.00 0.00 C ATOM 588 O GLN A 39 24.819 0.896 0.269 1.00 0.00 O ATOM 589 CB GLN A 39 23.186 -2.060 0.836 1.00 0.00 C ATOM 590 CG GLN A 39 23.257 -3.497 1.397 1.00 0.00 C ATOM 591 CD GLN A 39 21.937 -3.986 2.012 1.00 0.00 C ATOM 592 OE1 GLN A 39 21.594 -5.166 1.943 1.00 0.00 O ATOM 593 NE2 GLN A 39 21.209 -3.094 2.662 1.00 0.00 N ATOM 0 H GLN A 39 25.163 -1.169 2.259 1.00 0.00 H new ATOM 0 HA GLN A 39 24.894 -2.124 -0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.829 -1.396 1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 39 22.445 -2.034 0.037 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.548 -4.176 0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 39 24.040 -3.544 2.154 1.00 0.00 H new ATOM 0 HE21 GLN A 39 21.513 -2.121 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 39 20.343 -3.378 3.120 1.00 0.00 H new ATOM 602 N VAL A 40 23.515 -0.031 -1.343 1.00 0.00 N ATOM 603 CA VAL A 40 22.967 1.198 -1.927 1.00 0.00 C ATOM 604 C VAL A 40 21.776 0.783 -2.806 1.00 0.00 C ATOM 605 O VAL A 40 21.872 -0.198 -3.548 1.00 0.00 O ATOM 606 CB VAL A 40 24.041 2.010 -2.765 1.00 0.00 C ATOM 607 CG1 VAL A 40 24.683 1.144 -3.887 1.00 0.00 C ATOM 608 CG2 VAL A 40 23.442 3.326 -3.337 1.00 0.00 C ATOM 0 H VAL A 40 23.232 -0.868 -1.852 1.00 0.00 H new ATOM 0 HA VAL A 40 22.654 1.874 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 40 24.840 2.283 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 40 25.412 1.741 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 40 25.180 0.282 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.907 0.801 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 40 24.206 3.857 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 40 22.602 3.090 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 40 23.097 3.956 -2.517 1.00 0.00 H new ATOM 618 N VAL A 41 20.638 1.484 -2.711 1.00 0.00 N ATOM 619 CA VAL A 41 19.438 1.114 -3.490 1.00 0.00 C ATOM 620 C VAL A 41 19.218 2.114 -4.651 1.00 0.00 C ATOM 621 O VAL A 41 19.354 3.337 -4.491 1.00 0.00 O ATOM 622 CB VAL A 41 18.166 0.960 -2.580 1.00 0.00 C ATOM 623 CG1 VAL A 41 17.814 2.266 -1.863 1.00 0.00 C ATOM 624 CG2 VAL A 41 16.955 0.399 -3.375 1.00 0.00 C ATOM 0 H VAL A 41 20.518 2.301 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 41 19.610 0.131 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 41 18.414 0.230 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 41 16.929 2.115 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.649 2.571 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 41 17.613 3.043 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 41 16.095 0.307 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.711 1.077 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 41 17.208 -0.581 -3.779 1.00 0.00 H new ATOM 634 N LEU A 42 18.902 1.542 -5.821 1.00 0.00 N ATOM 635 CA LEU A 42 18.812 2.215 -7.111 1.00 0.00 C ATOM 636 C LEU A 42 17.378 2.038 -7.657 1.00 0.00 C ATOM 637 O LEU A 42 16.749 0.991 -7.449 1.00 0.00 O ATOM 638 CB LEU A 42 19.838 1.584 -8.129 1.00 0.00 C ATOM 639 CG LEU A 42 21.376 1.593 -7.769 1.00 0.00 C ATOM 640 CD1 LEU A 42 21.868 2.996 -7.352 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.730 0.528 -6.710 1.00 0.00 C ATOM 0 H LEU A 42 18.693 0.546 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 42 19.046 3.272 -6.987 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.544 0.547 -8.293 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.719 2.103 -9.080 1.00 0.00 H new ATOM 0 HG LEU A 42 21.909 1.327 -8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.931 2.953 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.708 3.696 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 42 21.313 3.331 -6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.797 0.571 -6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.167 0.721 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.476 -0.462 -7.090 1.00 0.00 H new ATOM 653 N LEU A 43 16.866 3.074 -8.318 1.00 0.00 N ATOM 654 CA LEU A 43 15.641 3.003 -9.126 1.00 0.00 C ATOM 655 C LEU A 43 16.034 3.153 -10.605 1.00 0.00 C ATOM 656 O LEU A 43 16.318 4.268 -11.066 1.00 0.00 O ATOM 657 CB LEU A 43 14.653 4.114 -8.684 1.00 0.00 C ATOM 658 CG LEU A 43 13.318 4.232 -9.495 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.531 2.897 -9.531 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.441 5.378 -8.942 1.00 0.00 C ATOM 0 H LEU A 43 17.293 4.000 -8.310 1.00 0.00 H new ATOM 0 HA LEU A 43 15.139 2.046 -8.985 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.401 3.948 -7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.171 5.072 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 43 13.587 4.468 -10.525 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.614 3.031 -10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.143 2.126 -10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.282 2.594 -8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.519 5.442 -9.520 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.201 5.181 -7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.983 6.320 -9.018 1.00 0.00 H new ATOM 672 N ALA A 44 16.124 2.000 -11.307 1.00 0.00 N ATOM 673 CA ALA A 44 16.556 1.918 -12.727 1.00 0.00 C ATOM 674 C ALA A 44 17.992 2.471 -12.920 1.00 0.00 C ATOM 675 O ALA A 44 18.360 2.920 -14.017 1.00 0.00 O ATOM 676 CB ALA A 44 15.536 2.616 -13.658 1.00 0.00 C ATOM 0 H ALA A 44 15.898 1.091 -10.903 1.00 0.00 H new ATOM 0 HA ALA A 44 16.585 0.865 -13.007 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.876 2.542 -14.691 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.564 2.133 -13.560 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.449 3.666 -13.380 1.00 0.00 H new ATOM 682 N GLY A 45 18.797 2.404 -11.836 1.00 0.00 N ATOM 683 CA GLY A 45 20.175 2.900 -11.826 1.00 0.00 C ATOM 684 C GLY A 45 20.343 4.196 -11.036 1.00 0.00 C ATOM 685 O GLY A 45 21.458 4.510 -10.601 1.00 0.00 O ATOM 0 H GLY A 45 18.501 2.002 -10.946 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.826 2.136 -11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.503 3.063 -12.853 1.00 0.00 H new ATOM 689 N ALA A 46 19.239 4.946 -10.849 1.00 0.00 N ATOM 690 CA ALA A 46 19.251 6.252 -10.162 1.00 0.00 C ATOM 691 C ALA A 46 19.362 6.072 -8.630 1.00 0.00 C ATOM 692 O ALA A 46 18.451 5.504 -8.022 1.00 0.00 O ATOM 693 CB ALA A 46 17.984 7.043 -10.524 1.00 0.00 C ATOM 0 H ALA A 46 18.313 4.663 -11.170 1.00 0.00 H new ATOM 0 HA ALA A 46 20.125 6.811 -10.495 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.998 8.006 -10.014 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.951 7.203 -11.602 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.103 6.481 -10.213 1.00 0.00 H new ATOM 699 N PRO A 47 20.475 6.551 -7.975 1.00 0.00 N ATOM 700 CA PRO A 47 20.689 6.381 -6.511 1.00 0.00 C ATOM 701 C PRO A 47 19.619 7.114 -5.670 1.00 0.00 C ATOM 702 O PRO A 47 19.524 8.348 -5.710 1.00 0.00 O ATOM 703 CB PRO A 47 22.115 6.968 -6.274 1.00 0.00 C ATOM 704 CG PRO A 47 22.750 7.010 -7.634 1.00 0.00 C ATOM 705 CD PRO A 47 21.613 7.288 -8.593 1.00 0.00 C ATOM 0 HA PRO A 47 20.605 5.339 -6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.064 7.963 -5.832 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.690 6.344 -5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.511 7.788 -7.689 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.241 6.066 -7.869 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.406 8.355 -8.677 1.00 0.00 H new ATOM 0 HD3 PRO A 47 21.833 6.925 -9.597 1.00 0.00 H new ATOM 713 N LEU A 48 18.805 6.332 -4.946 1.00 0.00 N ATOM 714 CA LEU A 48 17.733 6.844 -4.075 1.00 0.00 C ATOM 715 C LEU A 48 18.323 7.483 -2.808 1.00 0.00 C ATOM 716 O LEU A 48 19.166 6.871 -2.145 1.00 0.00 O ATOM 717 CB LEU A 48 16.772 5.686 -3.696 1.00 0.00 C ATOM 718 CG LEU A 48 15.955 5.059 -4.866 1.00 0.00 C ATOM 719 CD1 LEU A 48 15.161 3.820 -4.393 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.021 6.114 -5.514 1.00 0.00 C ATOM 0 H LEU A 48 18.872 5.314 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 48 17.176 7.610 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.357 4.896 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.071 6.054 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 48 16.660 4.724 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.601 3.405 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.852 3.069 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.469 4.111 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.461 5.653 -6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.326 6.494 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.618 6.937 -5.905 1.00 0.00 H new ATOM 732 N GLU A 49 17.872 8.714 -2.495 1.00 0.00 N ATOM 733 CA GLU A 49 18.313 9.451 -1.297 1.00 0.00 C ATOM 734 C GLU A 49 17.831 8.732 -0.022 1.00 0.00 C ATOM 735 O GLU A 49 16.636 8.475 0.114 1.00 0.00 O ATOM 736 CB GLU A 49 17.778 10.910 -1.324 1.00 0.00 C ATOM 737 CG GLU A 49 18.228 11.756 -2.534 1.00 0.00 C ATOM 738 CD GLU A 49 19.756 11.932 -2.627 1.00 0.00 C ATOM 739 OE1 GLU A 49 20.387 12.294 -1.605 1.00 0.00 O ATOM 740 OE2 GLU A 49 20.331 11.736 -3.720 1.00 0.00 O ATOM 0 H GLU A 49 17.195 9.222 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 49 19.403 9.483 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 49 16.689 10.880 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.097 11.413 -0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 49 17.868 11.287 -3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 49 17.760 12.739 -2.474 1.00 0.00 H new ATOM 747 N ASP A 50 18.766 8.416 0.901 1.00 0.00 N ATOM 748 CA ASP A 50 18.458 7.681 2.159 1.00 0.00 C ATOM 749 C ASP A 50 17.544 8.495 3.099 1.00 0.00 C ATOM 750 O ASP A 50 16.762 7.916 3.866 1.00 0.00 O ATOM 751 CB ASP A 50 19.758 7.237 2.884 1.00 0.00 C ATOM 752 CG ASP A 50 20.776 8.376 3.094 1.00 0.00 C ATOM 753 OD1 ASP A 50 20.647 9.141 4.079 1.00 0.00 O ATOM 754 OD2 ASP A 50 21.708 8.521 2.270 1.00 0.00 O ATOM 0 H ASP A 50 19.751 8.659 0.801 1.00 0.00 H new ATOM 0 HA ASP A 50 17.907 6.784 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.495 6.814 3.854 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.231 6.442 2.307 1.00 0.00 H new ATOM 759 N GLU A 51 17.628 9.832 3.002 1.00 0.00 N ATOM 760 CA GLU A 51 16.772 10.754 3.774 1.00 0.00 C ATOM 761 C GLU A 51 15.360 10.841 3.150 1.00 0.00 C ATOM 762 O GLU A 51 14.402 11.251 3.813 1.00 0.00 O ATOM 763 CB GLU A 51 17.435 12.155 3.830 1.00 0.00 C ATOM 764 CG GLU A 51 17.577 12.855 2.456 1.00 0.00 C ATOM 765 CD GLU A 51 18.362 14.172 2.530 1.00 0.00 C ATOM 766 OE1 GLU A 51 19.603 14.149 2.386 1.00 0.00 O ATOM 767 OE2 GLU A 51 17.748 15.238 2.748 1.00 0.00 O ATOM 0 H GLU A 51 18.290 10.306 2.387 1.00 0.00 H new ATOM 0 HA GLU A 51 16.665 10.372 4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.849 12.794 4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.424 12.057 4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.076 12.180 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.584 13.053 2.051 1.00 0.00 H new ATOM 774 N ALA A 52 15.254 10.463 1.865 1.00 0.00 N ATOM 775 CA ALA A 52 13.994 10.510 1.112 1.00 0.00 C ATOM 776 C ALA A 52 13.148 9.262 1.368 1.00 0.00 C ATOM 777 O ALA A 52 13.679 8.176 1.554 1.00 0.00 O ATOM 778 CB ALA A 52 14.274 10.658 -0.387 1.00 0.00 C ATOM 0 H ALA A 52 16.043 10.116 1.320 1.00 0.00 H new ATOM 0 HA ALA A 52 13.431 11.378 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.331 10.691 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.828 11.580 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.863 9.808 -0.733 1.00 0.00 H new ATOM 784 N THR A 53 11.826 9.441 1.378 1.00 0.00 N ATOM 785 CA THR A 53 10.864 8.341 1.461 1.00 0.00 C ATOM 786 C THR A 53 10.461 7.879 0.045 1.00 0.00 C ATOM 787 O THR A 53 10.895 8.484 -0.945 1.00 0.00 O ATOM 788 CB THR A 53 9.608 8.821 2.246 1.00 0.00 C ATOM 789 OG1 THR A 53 8.976 9.895 1.538 1.00 0.00 O ATOM 790 CG2 THR A 53 9.963 9.290 3.670 1.00 0.00 C ATOM 0 H THR A 53 11.389 10.361 1.328 1.00 0.00 H new ATOM 0 HA THR A 53 11.319 7.499 1.982 1.00 0.00 H new ATOM 0 HB THR A 53 8.929 7.972 2.330 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.185 10.193 2.034 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.058 9.616 4.182 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.415 8.466 4.222 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.668 10.120 3.615 1.00 0.00 H new ATOM 798 N LEU A 54 9.612 6.830 -0.046 1.00 0.00 N ATOM 799 CA LEU A 54 9.034 6.372 -1.335 1.00 0.00 C ATOM 800 C LEU A 54 8.143 7.489 -1.932 1.00 0.00 C ATOM 801 O LEU A 54 8.128 7.701 -3.152 1.00 0.00 O ATOM 802 CB LEU A 54 8.219 5.044 -1.164 1.00 0.00 C ATOM 803 CG LEU A 54 9.036 3.710 -0.964 1.00 0.00 C ATOM 804 CD1 LEU A 54 10.032 3.458 -2.120 1.00 0.00 C ATOM 805 CD2 LEU A 54 9.752 3.661 0.402 1.00 0.00 C ATOM 0 H LEU A 54 9.310 6.282 0.759 1.00 0.00 H new ATOM 0 HA LEU A 54 9.854 6.160 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.556 5.164 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.586 4.922 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 54 8.304 2.902 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.572 2.529 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.486 3.383 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.741 4.284 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.301 2.723 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.447 4.497 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.015 3.728 1.202 1.00 0.00 H new ATOM 817 N GLY A 55 7.434 8.214 -1.035 1.00 0.00 N ATOM 818 CA GLY A 55 6.585 9.346 -1.422 1.00 0.00 C ATOM 819 C GLY A 55 7.385 10.576 -1.861 1.00 0.00 C ATOM 820 O GLY A 55 6.933 11.334 -2.725 1.00 0.00 O ATOM 0 H GLY A 55 7.439 8.026 -0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.928 9.038 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.946 9.617 -0.582 1.00 0.00 H new ATOM 824 N GLN A 56 8.582 10.764 -1.262 1.00 0.00 N ATOM 825 CA GLN A 56 9.510 11.865 -1.619 1.00 0.00 C ATOM 826 C GLN A 56 10.138 11.612 -3.000 1.00 0.00 C ATOM 827 O GLN A 56 10.325 12.545 -3.792 1.00 0.00 O ATOM 828 CB GLN A 56 10.615 12.019 -0.541 1.00 0.00 C ATOM 829 CG GLN A 56 11.660 13.132 -0.820 1.00 0.00 C ATOM 830 CD GLN A 56 11.093 14.555 -0.790 1.00 0.00 C ATOM 831 OE1 GLN A 56 10.167 14.853 -0.043 1.00 0.00 O ATOM 832 NE2 GLN A 56 11.659 15.449 -1.586 1.00 0.00 N ATOM 0 H GLN A 56 8.933 10.160 -0.519 1.00 0.00 H new ATOM 0 HA GLN A 56 8.941 12.794 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.139 12.222 0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.138 11.068 -0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.459 13.057 -0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 56 12.110 12.954 -1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.428 15.173 -2.197 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.326 16.413 -1.588 1.00 0.00 H new ATOM 841 N CYS A 57 10.473 10.336 -3.264 1.00 0.00 N ATOM 842 CA CYS A 57 10.956 9.889 -4.577 1.00 0.00 C ATOM 843 C CYS A 57 9.820 9.978 -5.622 1.00 0.00 C ATOM 844 O CYS A 57 10.081 10.144 -6.813 1.00 0.00 O ATOM 845 CB CYS A 57 11.495 8.445 -4.480 1.00 0.00 C ATOM 846 SG CYS A 57 12.808 8.225 -3.255 1.00 0.00 S ATOM 0 H CYS A 57 10.416 9.589 -2.572 1.00 0.00 H new ATOM 0 HA CYS A 57 11.769 10.541 -4.897 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.669 7.777 -4.235 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.871 8.143 -5.457 1.00 0.00 H new ATOM 0 HG CYS A 57 12.301 8.287 -2.060 1.00 0.00 H new ATOM 852 N GLY A 58 8.561 9.884 -5.133 1.00 0.00 N ATOM 853 CA GLY A 58 7.367 9.925 -5.985 1.00 0.00 C ATOM 854 C GLY A 58 7.123 8.606 -6.698 1.00 0.00 C ATOM 855 O GLY A 58 6.462 8.566 -7.741 1.00 0.00 O ATOM 0 H GLY A 58 8.354 9.778 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.497 10.173 -5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.477 10.720 -6.723 1.00 0.00 H new ATOM 859 N VAL A 59 7.669 7.525 -6.124 1.00 0.00 N ATOM 860 CA VAL A 59 7.577 6.175 -6.687 1.00 0.00 C ATOM 861 C VAL A 59 6.466 5.391 -5.957 1.00 0.00 C ATOM 862 O VAL A 59 6.360 5.439 -4.724 1.00 0.00 O ATOM 863 CB VAL A 59 8.968 5.431 -6.611 1.00 0.00 C ATOM 864 CG1 VAL A 59 9.510 5.331 -5.169 1.00 0.00 C ATOM 865 CG2 VAL A 59 8.900 4.039 -7.273 1.00 0.00 C ATOM 0 H VAL A 59 8.191 7.566 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 59 7.316 6.243 -7.743 1.00 0.00 H new ATOM 0 HB VAL A 59 9.674 6.042 -7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.468 4.811 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.644 6.333 -4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.802 4.779 -4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.874 3.555 -7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.154 3.429 -6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.624 4.148 -8.322 1.00 0.00 H new ATOM 875 N GLU A 60 5.631 4.698 -6.740 1.00 0.00 N ATOM 876 CA GLU A 60 4.428 4.001 -6.244 1.00 0.00 C ATOM 877 C GLU A 60 4.737 2.541 -5.845 1.00 0.00 C ATOM 878 O GLU A 60 5.896 2.100 -5.869 1.00 0.00 O ATOM 879 CB GLU A 60 3.344 4.040 -7.353 1.00 0.00 C ATOM 880 CG GLU A 60 3.760 3.346 -8.672 1.00 0.00 C ATOM 881 CD GLU A 60 2.717 3.480 -9.790 1.00 0.00 C ATOM 882 OE1 GLU A 60 2.750 4.487 -10.527 1.00 0.00 O ATOM 883 OE2 GLU A 60 1.860 2.581 -9.938 1.00 0.00 O ATOM 0 H GLU A 60 5.769 4.602 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 60 4.070 4.507 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.438 3.566 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.095 5.080 -7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.704 3.770 -9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.938 2.288 -8.477 1.00 0.00 H new ATOM 890 N ALA A 61 3.677 1.805 -5.472 1.00 0.00 N ATOM 891 CA ALA A 61 3.740 0.356 -5.224 1.00 0.00 C ATOM 892 C ALA A 61 3.877 -0.423 -6.551 1.00 0.00 C ATOM 893 O ALA A 61 3.729 0.153 -7.634 1.00 0.00 O ATOM 894 CB ALA A 61 2.486 -0.095 -4.458 1.00 0.00 C ATOM 0 H ALA A 61 2.747 2.201 -5.333 1.00 0.00 H new ATOM 0 HA ALA A 61 4.621 0.142 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.537 -1.169 -4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.432 0.432 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.598 0.131 -5.048 1.00 0.00 H new ATOM 900 N LEU A 62 4.169 -1.734 -6.431 1.00 0.00 N ATOM 901 CA LEU A 62 4.369 -2.681 -7.568 1.00 0.00 C ATOM 902 C LEU A 62 5.656 -2.389 -8.377 1.00 0.00 C ATOM 903 O LEU A 62 5.926 -3.068 -9.377 1.00 0.00 O ATOM 904 CB LEU A 62 3.114 -2.758 -8.510 1.00 0.00 C ATOM 905 CG LEU A 62 1.884 -3.580 -7.985 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.291 -5.041 -7.683 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.220 -2.914 -6.753 1.00 0.00 C ATOM 0 H LEU A 62 4.277 -2.183 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 62 4.497 -3.662 -7.111 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.780 -1.741 -8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.429 -3.188 -9.461 1.00 0.00 H new ATOM 0 HG LEU A 62 1.136 -3.590 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.424 -5.593 -7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.665 -5.510 -8.593 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.072 -5.051 -6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.374 -3.518 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.947 -2.838 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.871 -1.917 -7.022 1.00 0.00 H new ATOM 919 N THR A 63 6.447 -1.396 -7.936 1.00 0.00 N ATOM 920 CA THR A 63 7.731 -1.055 -8.553 1.00 0.00 C ATOM 921 C THR A 63 8.821 -2.012 -8.025 1.00 0.00 C ATOM 922 O THR A 63 8.674 -2.576 -6.945 1.00 0.00 O ATOM 923 CB THR A 63 8.103 0.433 -8.228 1.00 0.00 C ATOM 924 OG1 THR A 63 6.997 1.290 -8.575 1.00 0.00 O ATOM 925 CG2 THR A 63 9.365 0.907 -8.982 1.00 0.00 C ATOM 0 H THR A 63 6.209 -0.807 -7.138 1.00 0.00 H new ATOM 0 HA THR A 63 7.656 -1.162 -9.635 1.00 0.00 H new ATOM 0 HB THR A 63 8.317 0.487 -7.161 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.563 1.611 -7.757 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.577 1.944 -8.720 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.213 0.281 -8.702 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.197 0.831 -10.056 1.00 0.00 H new ATOM 933 N THR A 64 9.891 -2.196 -8.803 1.00 0.00 N ATOM 934 CA THR A 64 11.051 -2.995 -8.405 1.00 0.00 C ATOM 935 C THR A 64 12.266 -2.070 -8.244 1.00 0.00 C ATOM 936 O THR A 64 12.793 -1.542 -9.231 1.00 0.00 O ATOM 937 CB THR A 64 11.347 -4.131 -9.434 1.00 0.00 C ATOM 938 OG1 THR A 64 10.167 -4.936 -9.601 1.00 0.00 O ATOM 939 CG2 THR A 64 12.514 -5.033 -8.981 1.00 0.00 C ATOM 0 H THR A 64 9.976 -1.791 -9.735 1.00 0.00 H new ATOM 0 HA THR A 64 10.834 -3.480 -7.453 1.00 0.00 H new ATOM 0 HB THR A 64 11.633 -3.662 -10.376 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.347 -5.650 -10.248 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.685 -5.809 -9.727 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.416 -4.432 -8.870 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.266 -5.496 -8.026 1.00 0.00 H new ATOM 947 N LEU A 65 12.653 -1.836 -6.980 1.00 0.00 N ATOM 948 CA LEU A 65 13.917 -1.156 -6.623 1.00 0.00 C ATOM 949 C LEU A 65 15.049 -2.199 -6.713 1.00 0.00 C ATOM 950 O LEU A 65 14.768 -3.379 -6.896 1.00 0.00 O ATOM 951 CB LEU A 65 13.834 -0.528 -5.188 1.00 0.00 C ATOM 952 CG LEU A 65 12.701 0.544 -4.929 1.00 0.00 C ATOM 953 CD1 LEU A 65 12.672 1.635 -6.026 1.00 0.00 C ATOM 954 CD2 LEU A 65 11.306 -0.104 -4.751 1.00 0.00 C ATOM 0 H LEU A 65 12.098 -2.113 -6.170 1.00 0.00 H new ATOM 0 HA LEU A 65 14.111 -0.333 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.701 -1.339 -4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.795 -0.063 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 65 12.953 1.031 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.879 2.350 -5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.631 2.153 -6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.486 1.172 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.563 0.674 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.045 -0.659 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.327 -0.784 -3.900 1.00 0.00 H new ATOM 966 N GLU A 66 16.316 -1.781 -6.598 1.00 0.00 N ATOM 967 CA GLU A 66 17.463 -2.712 -6.721 1.00 0.00 C ATOM 968 C GLU A 66 18.563 -2.372 -5.709 1.00 0.00 C ATOM 969 O GLU A 66 19.032 -1.251 -5.673 1.00 0.00 O ATOM 970 CB GLU A 66 18.034 -2.665 -8.159 1.00 0.00 C ATOM 971 CG GLU A 66 19.270 -3.563 -8.393 1.00 0.00 C ATOM 972 CD GLU A 66 19.867 -3.388 -9.789 1.00 0.00 C ATOM 973 OE1 GLU A 66 20.624 -2.417 -9.998 1.00 0.00 O ATOM 974 OE2 GLU A 66 19.561 -4.192 -10.694 1.00 0.00 O ATOM 0 H GLU A 66 16.580 -0.812 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 66 17.105 -3.719 -6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.250 -2.960 -8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.300 -1.635 -8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.029 -3.332 -7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 66 18.989 -4.606 -8.250 1.00 0.00 H new ATOM 981 N VAL A 67 18.971 -3.352 -4.892 1.00 0.00 N ATOM 982 CA VAL A 67 20.063 -3.178 -3.914 1.00 0.00 C ATOM 983 C VAL A 67 21.388 -3.695 -4.503 1.00 0.00 C ATOM 984 O VAL A 67 21.566 -4.903 -4.713 1.00 0.00 O ATOM 985 CB VAL A 67 19.736 -3.878 -2.538 1.00 0.00 C ATOM 986 CG1 VAL A 67 20.959 -3.909 -1.590 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.538 -3.182 -1.852 1.00 0.00 C ATOM 0 H VAL A 67 18.558 -4.285 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 67 20.165 -2.112 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 67 19.472 -4.913 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 67 20.684 -4.400 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 67 21.772 -4.459 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.283 -2.890 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.324 -3.676 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.781 -2.135 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.663 -3.243 -2.499 1.00 0.00 H new ATOM 997 N ALA A 68 22.289 -2.744 -4.798 1.00 0.00 N ATOM 998 CA ALA A 68 23.669 -3.009 -5.217 1.00 0.00 C ATOM 999 C ALA A 68 24.616 -2.812 -4.010 1.00 0.00 C ATOM 1000 O ALA A 68 24.176 -2.418 -2.915 1.00 0.00 O ATOM 1001 CB ALA A 68 24.054 -2.069 -6.380 1.00 0.00 C ATOM 0 H ALA A 68 22.070 -1.749 -4.750 1.00 0.00 H new ATOM 0 HA ALA A 68 23.758 -4.037 -5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.080 -2.271 -6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.384 -2.239 -7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.970 -1.033 -6.053 1.00 0.00 H new ATOM 1007 N GLY A 69 25.910 -3.083 -4.210 1.00 0.00 N ATOM 1008 CA GLY A 69 26.917 -2.893 -3.157 1.00 0.00 C ATOM 1009 C GLY A 69 28.038 -1.982 -3.624 1.00 0.00 C ATOM 1010 O GLY A 69 29.022 -2.452 -4.202 1.00 0.00 O ATOM 0 H GLY A 69 26.286 -3.435 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.445 -2.467 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.328 -3.859 -2.866 1.00 0.00 H new ATOM 1014 N ARG A 70 27.867 -0.663 -3.400 1.00 0.00 N ATOM 1015 CA ARG A 70 28.857 0.372 -3.789 1.00 0.00 C ATOM 1016 C ARG A 70 29.231 1.238 -2.581 1.00 0.00 C ATOM 1017 O ARG A 70 30.418 1.486 -2.328 1.00 0.00 O ATOM 1018 CB ARG A 70 28.312 1.280 -4.924 1.00 0.00 C ATOM 1019 CG ARG A 70 28.150 0.588 -6.296 1.00 0.00 C ATOM 1020 CD ARG A 70 27.789 1.593 -7.404 1.00 0.00 C ATOM 1021 NE ARG A 70 28.775 2.696 -7.476 1.00 0.00 N ATOM 1022 CZ ARG A 70 28.527 3.942 -7.920 1.00 0.00 C ATOM 1023 NH1 ARG A 70 27.338 4.280 -8.406 1.00 0.00 N ATOM 1024 NH2 ARG A 70 29.484 4.853 -7.880 1.00 0.00 N ATOM 0 H ARG A 70 27.038 -0.281 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 70 29.744 -0.146 -4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 70 27.344 1.676 -4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 70 28.983 2.131 -5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 70 29.077 0.077 -6.557 1.00 0.00 H new ATOM 0 HG3 ARG A 70 27.373 -0.174 -6.229 1.00 0.00 H new ATOM 0 HD2 ARG A 70 27.746 1.078 -8.364 1.00 0.00 H new ATOM 0 HD3 ARG A 70 26.796 2.002 -7.217 1.00 0.00 H new ATOM 0 HE ARG A 70 29.724 2.494 -7.162 1.00 0.00 H new ATOM 0 HH11 ARG A 70 26.589 3.589 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 70 27.174 5.231 -8.737 1.00 0.00 H new ATOM 0 HH21 ARG A 70 30.405 4.610 -7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 70 29.302 5.799 -8.215 1.00 0.00 H new ATOM 1038 N MET A 71 28.204 1.714 -1.855 1.00 0.00 N ATOM 1039 CA MET A 71 28.392 2.548 -0.656 1.00 0.00 C ATOM 1040 C MET A 71 29.018 1.712 0.471 1.00 0.00 C ATOM 1041 O MET A 71 28.736 0.521 0.588 1.00 0.00 O ATOM 1042 CB MET A 71 27.038 3.165 -0.219 1.00 0.00 C ATOM 1043 CG MET A 71 27.102 4.110 0.996 1.00 0.00 C ATOM 1044 SD MET A 71 25.501 4.827 1.431 1.00 0.00 S ATOM 1045 CE MET A 71 25.027 5.670 -0.076 1.00 0.00 C ATOM 0 H MET A 71 27.226 1.533 -2.082 1.00 0.00 H new ATOM 0 HA MET A 71 29.074 3.367 -0.887 1.00 0.00 H new ATOM 0 HB2 MET A 71 26.619 3.714 -1.063 1.00 0.00 H new ATOM 0 HB3 MET A 71 26.346 2.354 0.009 1.00 0.00 H new ATOM 0 HG2 MET A 71 27.491 3.562 1.854 1.00 0.00 H new ATOM 0 HG3 MET A 71 27.807 4.914 0.785 1.00 0.00 H new ATOM 0 HE1 MET A 71 24.247 6.399 0.145 1.00 0.00 H new ATOM 0 HE2 MET A 71 25.894 6.181 -0.495 1.00 0.00 H new ATOM 0 HE3 MET A 71 24.651 4.944 -0.797 1.00 0.00 H new ATOM 1055 N LEU A 72 29.886 2.334 1.273 1.00 0.00 N ATOM 1056 CA LEU A 72 30.589 1.661 2.383 1.00 0.00 C ATOM 1057 C LEU A 72 30.800 2.648 3.539 1.00 0.00 C ATOM 1058 O LEU A 72 30.584 3.851 3.377 1.00 0.00 O ATOM 1059 CB LEU A 72 31.943 1.034 1.912 1.00 0.00 C ATOM 1060 CG LEU A 72 33.073 2.012 1.423 1.00 0.00 C ATOM 1061 CD1 LEU A 72 34.425 1.273 1.276 1.00 0.00 C ATOM 1062 CD2 LEU A 72 32.711 2.717 0.090 1.00 0.00 C ATOM 0 H LEU A 72 30.126 3.321 1.176 1.00 0.00 H new ATOM 0 HA LEU A 72 29.968 0.838 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 72 32.344 0.445 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 72 31.726 0.340 1.100 1.00 0.00 H new ATOM 0 HG LEU A 72 33.167 2.781 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 72 35.188 1.974 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 72 34.718 0.856 2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 72 34.322 0.468 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 72 33.524 3.381 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 72 32.556 1.968 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 72 31.798 3.298 0.222 1.00 0.00 H new ATOM 1074 N GLY A 73 31.207 2.131 4.711 1.00 0.00 N ATOM 1075 CA GLY A 73 31.385 2.946 5.924 1.00 0.00 C ATOM 1076 C GLY A 73 32.784 2.818 6.512 1.00 0.00 C ATOM 1077 O GLY A 73 33.454 3.827 6.763 1.00 0.00 O ATOM 0 H GLY A 73 31.421 1.142 4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 73 31.188 3.992 5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 73 30.651 2.644 6.671 1.00 0.00 H new ATOM 1081 N GLY A 74 33.221 1.570 6.731 1.00 0.00 N ATOM 1082 CA GLY A 74 34.540 1.283 7.306 1.00 0.00 C ATOM 1083 C GLY A 74 34.732 -0.206 7.592 1.00 0.00 C ATOM 1084 O GLY A 74 33.722 -0.910 7.789 1.00 0.00 O ATOM 1085 OXT GLY A 74 35.889 -0.682 7.639 1.00 0.00 O ATOM 0 H GLY A 74 32.673 0.737 6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 74 35.316 1.623 6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 74 34.663 1.848 8.230 1.00 0.00 H new TER 1089 GLY A 74