USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 573 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 22 THR OG1 : rot -51:sc= -0.0771 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.09 K(o=1,f=-4!) USER MOD Set 2.1: A 7 THR OG1 : rot 132:sc= 0.91 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.638 USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.0955) USER MOD Single : A 1 MET N :NH3+ 148:sc= 1.27 (180deg=1.11) USER MOD Single : A 2 GLN : amide:sc= -0.0116 K(o=-0.012,f=-5.4!) USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= 1.06 (180deg=0.763) USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= 1.12 (180deg=0.0755) USER MOD Single : A 12 THR OG1 : rot -3:sc= 0.0953 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.3 (180deg=0.984) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0795 K(o=-0.08,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 1.14 (180deg=1.06) USER MOD Single : A 40 GLN : amide:sc= -0.539 K(o=-0.54,f=-4.5!) USER MOD Single : A 41 GLN : amide:sc= 1.38 K(o=1.4,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.904 K(o=-0.9,f=-4.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.619 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.214 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= 1.1 (180deg=0.782) USER MOD Single : A 65 SER OG : rot 93:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00829 X(o=-0.0083,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.848 43.512 -12.233 1.00 0.00 N ATOM 2 CA MET A 1 -5.195 44.399 -11.080 1.00 0.00 C ATOM 3 C MET A 1 -3.919 44.759 -10.334 1.00 0.00 C ATOM 4 O MET A 1 -2.875 44.221 -10.633 1.00 0.00 O ATOM 5 CB MET A 1 -6.206 43.766 -10.074 1.00 0.00 C ATOM 6 CG MET A 1 -5.875 42.305 -9.649 1.00 0.00 C ATOM 7 SD MET A 1 -7.059 41.438 -8.513 1.00 0.00 S ATOM 8 CE MET A 1 -5.695 40.302 -7.940 1.00 0.00 C ATOM 0 H1 MET A 1 -5.630 42.849 -12.409 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.688 44.092 -13.081 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.984 42.977 -12.012 1.00 0.00 H new ATOM 0 HA MET A 1 -5.683 45.278 -11.500 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.247 44.389 -9.181 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.200 43.783 -10.520 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.783 41.706 -10.555 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.896 42.310 -9.170 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.125 39.468 -7.386 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.151 39.922 -8.805 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.011 40.852 -7.294 1.00 0.00 H new ATOM 18 N GLN A 2 -4.036 45.653 -9.305 1.00 0.00 N ATOM 19 CA GLN A 2 -2.936 45.947 -8.382 1.00 0.00 C ATOM 20 C GLN A 2 -3.147 45.427 -6.934 1.00 0.00 C ATOM 21 O GLN A 2 -4.260 45.284 -6.396 1.00 0.00 O ATOM 22 CB GLN A 2 -2.712 47.502 -8.299 1.00 0.00 C ATOM 23 CG GLN A 2 -3.811 48.281 -7.517 1.00 0.00 C ATOM 24 CD GLN A 2 -5.105 48.346 -8.310 1.00 0.00 C ATOM 25 OE1 GLN A 2 -5.904 47.364 -8.389 1.00 0.00 O ATOM 26 NE2 GLN A 2 -5.296 49.360 -9.122 1.00 0.00 N ATOM 0 H GLN A 2 -4.890 46.174 -9.109 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.074 45.422 -8.794 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.748 47.691 -7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.655 47.901 -9.312 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.993 47.795 -6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.462 49.291 -7.302 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.673 50.167 -9.086 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.068 49.341 -9.789 1.00 0.00 H new ATOM 35 N ILE A 3 -2.009 45.169 -6.219 1.00 0.00 N ATOM 36 CA ILE A 3 -2.043 44.862 -4.816 1.00 0.00 C ATOM 37 C ILE A 3 -0.880 45.556 -4.127 1.00 0.00 C ATOM 38 O ILE A 3 0.084 45.997 -4.729 1.00 0.00 O ATOM 39 CB ILE A 3 -1.997 43.356 -4.464 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.864 42.741 -5.297 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.384 42.728 -4.742 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.760 41.181 -5.177 1.00 0.00 C ATOM 0 H ILE A 3 -1.072 45.176 -6.623 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.011 45.220 -4.466 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.789 43.171 -3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.011 43.006 -6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.083 43.183 -4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.359 41.666 -4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.137 43.224 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.634 42.850 -5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.064 40.823 -5.794 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.580 40.907 -4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.691 40.727 -5.516 1.00 0.00 H new ATOM 54 N PHE A 4 -1.046 45.661 -2.840 1.00 0.00 N ATOM 55 CA PHE A 4 -0.079 46.392 -2.004 1.00 0.00 C ATOM 56 C PHE A 4 0.603 45.375 -1.158 1.00 0.00 C ATOM 57 O PHE A 4 -0.064 44.656 -0.446 1.00 0.00 O ATOM 58 CB PHE A 4 -0.820 47.415 -1.139 1.00 0.00 C ATOM 59 CG PHE A 4 -1.550 48.393 -2.010 1.00 0.00 C ATOM 60 CD1 PHE A 4 -0.904 49.349 -2.873 1.00 0.00 C ATOM 61 CD2 PHE A 4 -2.950 48.336 -1.977 1.00 0.00 C ATOM 62 CE1 PHE A 4 -1.638 50.336 -3.511 1.00 0.00 C ATOM 63 CE2 PHE A 4 -3.724 49.307 -2.618 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.063 50.272 -3.495 1.00 0.00 C ATOM 0 H PHE A 4 -1.832 45.259 -2.329 1.00 0.00 H new ATOM 0 HA PHE A 4 0.648 46.937 -2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.524 46.905 -0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.112 47.943 -0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.164 49.296 -3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.438 47.530 -1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.135 51.147 -4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.793 49.344 -2.468 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.647 50.929 -4.123 1.00 0.00 H new ATOM 74 N VAL A 5 1.921 45.296 -1.242 1.00 0.00 N ATOM 75 CA VAL A 5 2.663 44.440 -0.291 1.00 0.00 C ATOM 76 C VAL A 5 3.269 45.364 0.769 1.00 0.00 C ATOM 77 O VAL A 5 4.144 46.158 0.435 1.00 0.00 O ATOM 78 CB VAL A 5 3.703 43.542 -0.974 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.453 42.792 0.169 1.00 0.00 C ATOM 80 CG2 VAL A 5 2.906 42.585 -1.917 1.00 0.00 C ATOM 0 H VAL A 5 2.495 45.789 -1.927 1.00 0.00 H new ATOM 0 HA VAL A 5 1.983 43.730 0.180 1.00 0.00 H new ATOM 0 HB VAL A 5 4.442 44.073 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.209 42.135 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.934 43.517 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.741 42.199 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.600 41.920 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.206 41.993 -1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.355 43.173 -2.651 1.00 0.00 H new ATOM 90 N LYS A 6 2.810 45.266 2.065 1.00 0.00 N ATOM 91 CA LYS A 6 3.356 46.057 3.183 1.00 0.00 C ATOM 92 C LYS A 6 4.610 45.344 3.771 1.00 0.00 C ATOM 93 O LYS A 6 4.563 44.146 4.151 1.00 0.00 O ATOM 94 CB LYS A 6 2.217 46.348 4.244 1.00 0.00 C ATOM 95 CG LYS A 6 2.750 46.787 5.668 1.00 0.00 C ATOM 96 CD LYS A 6 3.434 48.183 5.642 1.00 0.00 C ATOM 97 CE LYS A 6 3.598 48.759 7.064 1.00 0.00 C ATOM 98 NZ LYS A 6 4.286 47.866 8.032 1.00 0.00 N ATOM 0 H LYS A 6 2.057 44.636 2.341 1.00 0.00 H new ATOM 0 HA LYS A 6 3.698 47.032 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.566 47.131 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.606 45.453 4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.919 46.806 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.460 46.044 6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.411 48.102 5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.841 48.869 5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.154 49.694 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.611 49.002 7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.635 48.427 8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.618 47.147 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.087 47.397 7.563 1.00 0.00 H new ATOM 112 N THR A 7 5.698 46.145 3.762 1.00 0.00 N ATOM 113 CA THR A 7 7.008 45.747 4.272 1.00 0.00 C ATOM 114 C THR A 7 7.080 45.990 5.792 1.00 0.00 C ATOM 115 O THR A 7 6.344 46.773 6.391 1.00 0.00 O ATOM 116 CB THR A 7 8.230 46.305 3.502 1.00 0.00 C ATOM 117 OG1 THR A 7 8.583 47.653 3.886 1.00 0.00 O ATOM 118 CG2 THR A 7 7.901 46.327 1.979 1.00 0.00 C ATOM 0 H THR A 7 5.680 47.096 3.394 1.00 0.00 H new ATOM 0 HA THR A 7 7.090 44.677 4.082 1.00 0.00 H new ATOM 0 HB THR A 7 9.071 45.653 3.740 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.547 47.703 4.058 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.756 46.719 1.428 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.683 45.315 1.639 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.034 46.963 1.803 1.00 0.00 H new ATOM 126 N LEU A 8 7.925 45.206 6.503 1.00 0.00 N ATOM 127 CA LEU A 8 8.407 45.442 7.861 1.00 0.00 C ATOM 128 C LEU A 8 9.344 46.641 7.894 1.00 0.00 C ATOM 129 O LEU A 8 9.526 47.160 9.005 1.00 0.00 O ATOM 130 CB LEU A 8 9.142 44.178 8.352 1.00 0.00 C ATOM 131 CG LEU A 8 8.222 42.923 8.447 1.00 0.00 C ATOM 132 CD1 LEU A 8 9.125 41.649 8.621 1.00 0.00 C ATOM 133 CD2 LEU A 8 7.180 42.947 9.605 1.00 0.00 C ATOM 0 H LEU A 8 8.303 44.344 6.110 1.00 0.00 H new ATOM 0 HA LEU A 8 7.562 45.656 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.969 43.962 7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.575 44.377 9.332 1.00 0.00 H new ATOM 0 HG LEU A 8 7.644 42.912 7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.494 40.763 8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.791 41.555 7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.717 41.744 9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.591 42.030 9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.699 43.022 10.560 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.520 43.805 9.482 1.00 0.00 H new ATOM 145 N THR A 9 9.905 47.022 6.681 1.00 0.00 N ATOM 146 CA THR A 9 10.941 48.041 6.522 1.00 0.00 C ATOM 147 C THR A 9 10.387 49.445 6.298 1.00 0.00 C ATOM 148 O THR A 9 11.162 50.393 6.091 1.00 0.00 O ATOM 149 CB THR A 9 12.002 47.624 5.451 1.00 0.00 C ATOM 150 OG1 THR A 9 11.407 47.200 4.240 1.00 0.00 O ATOM 151 CG2 THR A 9 12.914 46.440 5.928 1.00 0.00 C ATOM 0 H THR A 9 9.622 46.603 5.795 1.00 0.00 H new ATOM 0 HA THR A 9 11.461 48.099 7.478 1.00 0.00 H new ATOM 0 HB THR A 9 12.595 48.526 5.299 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.107 46.951 3.601 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.631 46.194 5.144 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.450 46.734 6.830 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.296 45.568 6.141 1.00 0.00 H new ATOM 159 N GLY A 10 9.084 49.626 6.454 1.00 0.00 N ATOM 160 CA GLY A 10 8.500 50.977 6.357 1.00 0.00 C ATOM 161 C GLY A 10 8.238 51.461 4.930 1.00 0.00 C ATOM 162 O GLY A 10 8.472 52.620 4.615 1.00 0.00 O ATOM 0 H GLY A 10 8.415 48.880 6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.560 50.992 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.169 51.683 6.848 1.00 0.00 H new ATOM 166 N LYS A 11 7.809 50.572 4.030 1.00 0.00 N ATOM 167 CA LYS A 11 7.485 50.964 2.669 1.00 0.00 C ATOM 168 C LYS A 11 6.205 50.185 2.330 1.00 0.00 C ATOM 169 O LYS A 11 5.778 49.351 3.142 1.00 0.00 O ATOM 170 CB LYS A 11 8.583 50.418 1.716 1.00 0.00 C ATOM 171 CG LYS A 11 10.010 50.998 2.060 1.00 0.00 C ATOM 172 CD LYS A 11 11.107 50.419 1.039 1.00 0.00 C ATOM 173 CE LYS A 11 12.526 50.821 1.442 1.00 0.00 C ATOM 174 NZ LYS A 11 13.516 50.194 0.493 1.00 0.00 N ATOM 0 H LYS A 11 7.680 49.579 4.225 1.00 0.00 H new ATOM 0 HA LYS A 11 7.392 52.046 2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.609 49.330 1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.328 50.671 0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.991 52.086 2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.280 50.735 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.033 49.332 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.897 50.785 0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.627 51.906 1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.731 50.498 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.298 50.857 0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.891 49.319 0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.043 49.973 -0.406 1.00 0.00 H new ATOM 188 N THR A 12 5.525 50.512 1.211 1.00 0.00 N ATOM 189 CA THR A 12 4.450 49.697 0.736 1.00 0.00 C ATOM 190 C THR A 12 4.688 49.649 -0.748 1.00 0.00 C ATOM 191 O THR A 12 4.632 50.625 -1.497 1.00 0.00 O ATOM 192 CB THR A 12 3.026 50.239 1.071 1.00 0.00 C ATOM 193 OG1 THR A 12 2.827 50.208 2.454 1.00 0.00 O ATOM 194 CG2 THR A 12 1.959 49.346 0.467 1.00 0.00 C ATOM 0 H THR A 12 5.720 51.335 0.641 1.00 0.00 H new ATOM 0 HA THR A 12 4.453 48.721 1.221 1.00 0.00 H new ATOM 0 HB THR A 12 2.955 51.251 0.673 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.611 49.813 2.889 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.973 49.741 0.712 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.080 49.316 -0.616 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.057 48.338 0.871 1.00 0.00 H new ATOM 202 N ILE A 13 4.994 48.430 -1.161 1.00 0.00 N ATOM 203 CA ILE A 13 5.232 48.056 -2.563 1.00 0.00 C ATOM 204 C ILE A 13 3.921 47.768 -3.328 1.00 0.00 C ATOM 205 O ILE A 13 3.190 46.799 -3.126 1.00 0.00 O ATOM 206 CB ILE A 13 6.083 46.780 -2.713 1.00 0.00 C ATOM 207 CG1 ILE A 13 7.388 46.780 -1.847 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.548 46.699 -4.192 1.00 0.00 C ATOM 209 CD1 ILE A 13 8.260 48.056 -2.000 1.00 0.00 C ATOM 0 H ILE A 13 5.089 47.644 -0.518 1.00 0.00 H new ATOM 0 HA ILE A 13 5.753 48.921 -2.974 1.00 0.00 H new ATOM 0 HB ILE A 13 5.460 45.947 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.113 46.666 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.988 45.910 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.155 45.805 -4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.677 46.654 -4.845 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.139 47.581 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.143 47.972 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.569 48.163 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.681 48.930 -1.702 1.00 0.00 H new ATOM 221 N THR A 14 3.655 48.678 -4.292 1.00 0.00 N ATOM 222 CA THR A 14 2.599 48.515 -5.268 1.00 0.00 C ATOM 223 C THR A 14 3.071 47.623 -6.407 1.00 0.00 C ATOM 224 O THR A 14 3.985 47.973 -7.146 1.00 0.00 O ATOM 225 CB THR A 14 2.209 49.821 -5.987 1.00 0.00 C ATOM 226 OG1 THR A 14 1.875 50.774 -5.021 1.00 0.00 O ATOM 227 CG2 THR A 14 0.893 49.606 -6.757 1.00 0.00 C ATOM 0 H THR A 14 4.181 49.545 -4.400 1.00 0.00 H new ATOM 0 HA THR A 14 1.763 48.117 -4.693 1.00 0.00 H new ATOM 0 HB THR A 14 3.034 50.121 -6.633 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.626 51.613 -5.462 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.615 50.528 -7.267 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.027 48.812 -7.491 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.105 49.325 -6.059 1.00 0.00 H new ATOM 235 N LEU A 15 2.407 46.485 -6.586 1.00 0.00 N ATOM 236 CA LEU A 15 2.668 45.713 -7.815 1.00 0.00 C ATOM 237 C LEU A 15 1.382 45.387 -8.572 1.00 0.00 C ATOM 238 O LEU A 15 0.348 45.047 -7.990 1.00 0.00 O ATOM 239 CB LEU A 15 3.625 44.538 -7.508 1.00 0.00 C ATOM 240 CG LEU A 15 3.228 43.558 -6.362 1.00 0.00 C ATOM 241 CD1 LEU A 15 2.384 42.306 -6.763 1.00 0.00 C ATOM 242 CD2 LEU A 15 4.496 43.107 -5.583 1.00 0.00 C ATOM 0 H LEU A 15 1.722 46.087 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 15 3.209 46.321 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.743 43.955 -8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.603 44.956 -7.268 1.00 0.00 H new ATOM 0 HG LEU A 15 2.555 44.146 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.176 41.708 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.445 42.629 -7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.942 41.706 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.208 42.423 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.181 42.602 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.988 43.979 -5.153 1.00 0.00 H new ATOM 254 N GLU A 16 1.458 45.459 -9.906 1.00 0.00 N ATOM 255 CA GLU A 16 0.358 44.987 -10.776 1.00 0.00 C ATOM 256 C GLU A 16 0.478 43.458 -11.068 1.00 0.00 C ATOM 257 O GLU A 16 1.577 42.969 -11.298 1.00 0.00 O ATOM 258 CB GLU A 16 0.418 45.723 -12.121 1.00 0.00 C ATOM 259 CG GLU A 16 0.346 47.325 -12.012 1.00 0.00 C ATOM 260 CD GLU A 16 0.294 48.099 -13.357 1.00 0.00 C ATOM 261 OE1 GLU A 16 1.000 47.748 -14.320 1.00 0.00 O ATOM 262 OE2 GLU A 16 -0.412 49.119 -13.326 1.00 0.00 O ATOM 0 H GLU A 16 2.261 45.836 -10.410 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.580 45.184 -10.257 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.342 45.448 -12.630 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.405 45.377 -12.746 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.536 47.590 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.214 47.670 -11.451 1.00 0.00 H new ATOM 269 N VAL A 17 -0.681 42.756 -10.961 1.00 0.00 N ATOM 270 CA VAL A 17 -0.816 41.293 -11.134 1.00 0.00 C ATOM 271 C VAL A 17 -2.216 40.894 -11.657 1.00 0.00 C ATOM 272 O VAL A 17 -3.208 41.539 -11.336 1.00 0.00 O ATOM 273 CB VAL A 17 -0.580 40.509 -9.794 1.00 0.00 C ATOM 274 CG1 VAL A 17 0.964 40.616 -9.378 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.497 40.949 -8.593 1.00 0.00 C ATOM 0 H VAL A 17 -1.569 43.209 -10.746 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.051 41.026 -11.863 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.861 39.476 -10.001 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.129 40.072 -8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.583 40.185 -10.165 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.231 41.663 -9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.258 40.350 -7.714 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.326 42.002 -8.371 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.543 40.800 -8.860 1.00 0.00 H new ATOM 285 N GLU A 18 -2.326 39.815 -12.498 1.00 0.00 N ATOM 286 CA GLU A 18 -3.545 39.224 -13.009 1.00 0.00 C ATOM 287 C GLU A 18 -4.119 38.234 -11.965 1.00 0.00 C ATOM 288 O GLU A 18 -3.357 37.810 -11.116 1.00 0.00 O ATOM 289 CB GLU A 18 -3.173 38.420 -14.338 1.00 0.00 C ATOM 290 CG GLU A 18 -2.714 39.317 -15.540 1.00 0.00 C ATOM 291 CD GLU A 18 -3.218 38.821 -16.927 1.00 0.00 C ATOM 292 OE1 GLU A 18 -4.295 38.269 -17.046 1.00 0.00 O ATOM 293 OE2 GLU A 18 -2.508 39.180 -17.872 1.00 0.00 O ATOM 0 H GLU A 18 -1.498 39.328 -12.840 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.286 39.997 -13.214 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.378 37.711 -14.107 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.040 37.837 -14.648 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.070 40.334 -15.378 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.625 39.359 -15.554 1.00 0.00 H new ATOM 300 N PRO A 19 -5.365 37.883 -11.900 1.00 0.00 N ATOM 301 CA PRO A 19 -5.808 37.003 -10.759 1.00 0.00 C ATOM 302 C PRO A 19 -5.280 35.596 -10.961 1.00 0.00 C ATOM 303 O PRO A 19 -5.343 34.785 -10.071 1.00 0.00 O ATOM 304 CB PRO A 19 -7.314 37.108 -10.799 1.00 0.00 C ATOM 305 CG PRO A 19 -7.753 37.726 -12.129 1.00 0.00 C ATOM 306 CD PRO A 19 -6.511 38.554 -12.499 1.00 0.00 C ATOM 0 HA PRO A 19 -5.429 37.296 -9.780 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.760 36.121 -10.681 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.668 37.719 -9.969 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.981 36.969 -12.879 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.643 38.346 -12.021 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.398 38.620 -13.581 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.601 39.574 -12.125 1.00 0.00 H new ATOM 314 N SER A 20 -4.775 35.275 -12.150 1.00 0.00 N ATOM 315 CA SER A 20 -4.155 33.985 -12.407 1.00 0.00 C ATOM 316 C SER A 20 -2.630 33.985 -12.225 1.00 0.00 C ATOM 317 O SER A 20 -1.998 32.947 -12.382 1.00 0.00 O ATOM 318 CB SER A 20 -4.483 33.545 -13.868 1.00 0.00 C ATOM 319 OG SER A 20 -4.197 34.620 -14.810 1.00 0.00 O ATOM 0 H SER A 20 -4.786 35.900 -12.956 1.00 0.00 H new ATOM 0 HA SER A 20 -4.564 33.291 -11.672 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.897 32.663 -14.127 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.533 33.262 -13.940 1.00 0.00 H new ATOM 0 HG SER A 20 -4.408 34.323 -15.720 1.00 0.00 H new ATOM 325 N ASP A 21 -1.995 35.115 -11.877 1.00 0.00 N ATOM 326 CA ASP A 21 -0.536 35.122 -11.526 1.00 0.00 C ATOM 327 C ASP A 21 -0.332 34.317 -10.250 1.00 0.00 C ATOM 328 O ASP A 21 -1.265 34.244 -9.464 1.00 0.00 O ATOM 329 CB ASP A 21 -0.049 36.636 -11.458 1.00 0.00 C ATOM 330 CG ASP A 21 0.051 37.255 -12.865 1.00 0.00 C ATOM 331 OD1 ASP A 21 0.286 36.581 -13.884 1.00 0.00 O ATOM 332 OD2 ASP A 21 -0.060 38.469 -12.892 1.00 0.00 O ATOM 0 H ASP A 21 -2.445 36.029 -11.827 1.00 0.00 H new ATOM 0 HA ASP A 21 0.084 34.636 -12.279 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.744 37.217 -10.851 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.923 36.686 -10.966 1.00 0.00 H new ATOM 337 N THR A 22 0.867 33.688 -10.122 1.00 0.00 N ATOM 338 CA THR A 22 1.235 32.835 -8.932 1.00 0.00 C ATOM 339 C THR A 22 2.065 33.670 -7.969 1.00 0.00 C ATOM 340 O THR A 22 2.570 34.735 -8.290 1.00 0.00 O ATOM 341 CB THR A 22 1.910 31.460 -9.352 1.00 0.00 C ATOM 342 OG1 THR A 22 3.125 31.766 -10.017 1.00 0.00 O ATOM 343 CG2 THR A 22 1.038 30.582 -10.303 1.00 0.00 C ATOM 0 H THR A 22 1.605 33.749 -10.824 1.00 0.00 H new ATOM 0 HA THR A 22 0.330 32.526 -8.410 1.00 0.00 H new ATOM 0 HB THR A 22 2.052 30.879 -8.441 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.954 32.421 -10.725 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.572 29.662 -10.541 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.096 30.338 -9.811 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.836 31.132 -11.222 1.00 0.00 H new ATOM 351 N ILE A 23 2.086 33.317 -6.645 1.00 0.00 N ATOM 352 CA ILE A 23 2.858 33.972 -5.640 1.00 0.00 C ATOM 353 C ILE A 23 4.332 33.901 -5.975 1.00 0.00 C ATOM 354 O ILE A 23 5.056 34.859 -5.763 1.00 0.00 O ATOM 355 CB ILE A 23 2.464 33.269 -4.279 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.917 33.411 -4.054 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.310 33.703 -3.093 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.381 34.890 -3.926 1.00 0.00 C ATOM 0 H ILE A 23 1.535 32.540 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 23 2.652 35.040 -5.567 1.00 0.00 H new ATOM 0 HB ILE A 23 2.697 32.207 -4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.401 32.927 -4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.648 32.866 -3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.979 33.177 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.356 33.466 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.203 34.777 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.698 34.874 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.860 35.379 -3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.610 35.440 -4.839 1.00 0.00 H new ATOM 370 N GLU A 24 4.764 32.809 -6.574 1.00 0.00 N ATOM 371 CA GLU A 24 6.050 32.772 -7.280 1.00 0.00 C ATOM 372 C GLU A 24 6.365 34.029 -8.157 1.00 0.00 C ATOM 373 O GLU A 24 7.439 34.617 -7.999 1.00 0.00 O ATOM 374 CB GLU A 24 6.033 31.442 -8.088 1.00 0.00 C ATOM 375 CG GLU A 24 7.258 31.272 -9.057 1.00 0.00 C ATOM 376 CD GLU A 24 7.078 29.950 -9.819 1.00 0.00 C ATOM 377 OE1 GLU A 24 6.590 30.019 -10.950 1.00 0.00 O ATOM 378 OE2 GLU A 24 7.428 28.892 -9.283 1.00 0.00 O ATOM 0 H GLU A 24 4.249 31.929 -6.591 1.00 0.00 H new ATOM 0 HA GLU A 24 6.871 32.803 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.015 30.604 -7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.112 31.393 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.313 32.109 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.191 31.264 -8.494 1.00 0.00 H new ATOM 385 N ASN A 25 5.419 34.478 -8.994 1.00 0.00 N ATOM 386 CA ASN A 25 5.520 35.709 -9.805 1.00 0.00 C ATOM 387 C ASN A 25 5.442 37.016 -8.889 1.00 0.00 C ATOM 388 O ASN A 25 6.020 38.043 -9.209 1.00 0.00 O ATOM 389 CB ASN A 25 4.338 35.749 -10.834 1.00 0.00 C ATOM 390 CG ASN A 25 4.141 34.527 -11.749 1.00 0.00 C ATOM 391 OD1 ASN A 25 2.953 34.137 -12.008 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.197 33.853 -12.194 1.00 0.00 N ATOM 0 H ASN A 25 4.537 33.985 -9.132 1.00 0.00 H new ATOM 0 HA ASN A 25 6.481 35.698 -10.319 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.414 35.902 -10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.476 36.624 -11.469 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.065 33.009 -12.752 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.139 34.179 -11.977 1.00 0.00 H new ATOM 399 N VAL A 26 4.670 36.993 -7.758 1.00 0.00 N ATOM 400 CA VAL A 26 4.597 38.132 -6.767 1.00 0.00 C ATOM 401 C VAL A 26 6.009 38.396 -6.206 1.00 0.00 C ATOM 402 O VAL A 26 6.456 39.558 -6.133 1.00 0.00 O ATOM 403 CB VAL A 26 3.628 37.861 -5.579 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.687 38.933 -4.459 1.00 0.00 C ATOM 405 CG2 VAL A 26 2.155 37.846 -6.087 1.00 0.00 C ATOM 0 H VAL A 26 4.085 36.197 -7.504 1.00 0.00 H new ATOM 0 HA VAL A 26 4.207 38.996 -7.305 1.00 0.00 H new ATOM 0 HB VAL A 26 3.947 36.903 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.983 38.672 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.696 38.975 -4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.424 39.906 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.483 37.656 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.914 38.811 -6.533 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.036 37.061 -6.834 1.00 0.00 H new ATOM 415 N LYS A 27 6.634 37.265 -5.884 1.00 0.00 N ATOM 416 CA LYS A 27 7.957 37.160 -5.303 1.00 0.00 C ATOM 417 C LYS A 27 9.094 37.613 -6.210 1.00 0.00 C ATOM 418 O LYS A 27 9.997 38.263 -5.725 1.00 0.00 O ATOM 419 CB LYS A 27 8.161 35.731 -4.732 1.00 0.00 C ATOM 420 CG LYS A 27 7.343 35.568 -3.412 1.00 0.00 C ATOM 421 CD LYS A 27 7.521 34.156 -2.775 1.00 0.00 C ATOM 422 CE LYS A 27 6.675 34.045 -1.446 1.00 0.00 C ATOM 423 NZ LYS A 27 6.985 32.744 -0.827 1.00 0.00 N ATOM 0 H LYS A 27 6.202 36.353 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 27 8.003 37.878 -4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.841 34.988 -5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.219 35.554 -4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.656 36.329 -2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.287 35.740 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.204 33.388 -3.481 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.574 33.976 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.921 34.861 -0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.610 34.122 -1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.263 32.518 -0.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.992 32.005 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.919 32.790 -0.372 1.00 0.00 H new ATOM 437 N ALA A 28 8.962 37.293 -7.488 1.00 0.00 N ATOM 438 CA ALA A 28 9.739 37.887 -8.532 1.00 0.00 C ATOM 439 C ALA A 28 9.379 39.401 -8.810 1.00 0.00 C ATOM 440 O ALA A 28 10.284 40.186 -9.126 1.00 0.00 O ATOM 441 CB ALA A 28 9.522 37.054 -9.758 1.00 0.00 C ATOM 0 H ALA A 28 8.294 36.597 -7.821 1.00 0.00 H new ATOM 0 HA ALA A 28 10.786 37.903 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.097 37.469 -10.586 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.848 36.032 -9.566 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.463 37.054 -10.015 1.00 0.00 H new ATOM 447 N LYS A 29 8.122 39.820 -8.598 1.00 0.00 N ATOM 448 CA LYS A 29 7.847 41.277 -8.491 1.00 0.00 C ATOM 449 C LYS A 29 8.609 41.972 -7.341 1.00 0.00 C ATOM 450 O LYS A 29 9.172 43.022 -7.642 1.00 0.00 O ATOM 451 CB LYS A 29 6.374 41.637 -8.597 1.00 0.00 C ATOM 452 CG LYS A 29 5.975 41.289 -10.093 1.00 0.00 C ATOM 453 CD LYS A 29 4.499 41.527 -10.278 1.00 0.00 C ATOM 454 CE LYS A 29 4.060 41.126 -11.757 1.00 0.00 C ATOM 455 NZ LYS A 29 4.453 42.138 -12.738 1.00 0.00 N ATOM 0 H LYS A 29 7.309 39.211 -8.500 1.00 0.00 H new ATOM 0 HA LYS A 29 8.281 41.715 -9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.776 41.067 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.209 42.692 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.545 41.906 -10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.219 40.250 -10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.935 40.942 -9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.266 42.576 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.510 40.170 -12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.979 40.989 -11.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.149 41.839 -13.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.003 43.045 -12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.487 42.251 -12.725 1.00 0.00 H new ATOM 469 N ILE A 30 8.679 41.375 -6.172 1.00 0.00 N ATOM 470 CA ILE A 30 9.556 41.958 -5.084 1.00 0.00 C ATOM 471 C ILE A 30 11.080 41.963 -5.461 1.00 0.00 C ATOM 472 O ILE A 30 11.826 42.898 -5.090 1.00 0.00 O ATOM 473 CB ILE A 30 9.220 41.264 -3.749 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.696 41.476 -3.305 1.00 0.00 C ATOM 475 CG2 ILE A 30 10.191 41.724 -2.599 1.00 0.00 C ATOM 476 CD1 ILE A 30 7.373 42.934 -2.818 1.00 0.00 C ATOM 0 H ILE A 30 8.178 40.523 -5.920 1.00 0.00 H new ATOM 0 HA ILE A 30 9.335 43.019 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 30 9.362 40.197 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.046 41.231 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.460 40.775 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.925 41.215 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.217 41.475 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.104 42.801 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.322 42.999 -2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.997 43.177 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.576 43.640 -3.623 1.00 0.00 H new ATOM 488 N GLN A 31 11.550 40.939 -6.239 1.00 0.00 N ATOM 489 CA GLN A 31 12.878 40.892 -6.761 1.00 0.00 C ATOM 490 C GLN A 31 13.177 42.128 -7.633 1.00 0.00 C ATOM 491 O GLN A 31 14.239 42.738 -7.508 1.00 0.00 O ATOM 492 CB GLN A 31 13.085 39.597 -7.583 1.00 0.00 C ATOM 493 CG GLN A 31 14.544 39.449 -8.160 1.00 0.00 C ATOM 494 CD GLN A 31 15.664 39.300 -7.142 1.00 0.00 C ATOM 495 OE1 GLN A 31 16.167 40.300 -6.559 1.00 0.00 O ATOM 496 NE2 GLN A 31 16.246 38.126 -7.077 1.00 0.00 N ATOM 0 H GLN A 31 10.981 40.134 -6.501 1.00 0.00 H new ATOM 0 HA GLN A 31 13.571 40.894 -5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.862 38.736 -6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.373 39.581 -8.408 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.564 38.581 -8.819 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.757 40.322 -8.777 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.831 37.324 -7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.113 38.015 -6.552 1.00 0.00 H new ATOM 505 N ASP A 32 12.232 42.567 -8.480 1.00 0.00 N ATOM 506 CA ASP A 32 12.377 43.862 -9.186 1.00 0.00 C ATOM 507 C ASP A 32 12.327 45.036 -8.211 1.00 0.00 C ATOM 508 O ASP A 32 13.180 45.932 -8.250 1.00 0.00 O ATOM 509 CB ASP A 32 11.158 44.031 -10.118 1.00 0.00 C ATOM 510 CG ASP A 32 11.306 45.201 -11.127 1.00 0.00 C ATOM 511 OD1 ASP A 32 12.432 45.546 -11.432 1.00 0.00 O ATOM 512 OD2 ASP A 32 10.282 45.641 -11.628 1.00 0.00 O ATOM 0 H ASP A 32 11.373 42.060 -8.694 1.00 0.00 H new ATOM 0 HA ASP A 32 13.330 43.857 -9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.001 43.104 -10.670 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.267 44.195 -9.512 1.00 0.00 H new ATOM 517 N LYS A 33 11.273 45.096 -7.384 1.00 0.00 N ATOM 518 CA LYS A 33 11.009 46.365 -6.703 1.00 0.00 C ATOM 519 C LYS A 33 11.944 46.633 -5.538 1.00 0.00 C ATOM 520 O LYS A 33 12.064 47.812 -5.196 1.00 0.00 O ATOM 521 CB LYS A 33 9.535 46.605 -6.288 1.00 0.00 C ATOM 522 CG LYS A 33 8.452 46.388 -7.385 1.00 0.00 C ATOM 523 CD LYS A 33 8.754 47.269 -8.659 1.00 0.00 C ATOM 524 CE LYS A 33 7.765 46.938 -9.820 1.00 0.00 C ATOM 525 NZ LYS A 33 8.382 47.321 -11.124 1.00 0.00 N ATOM 0 H LYS A 33 10.628 44.332 -7.180 1.00 0.00 H new ATOM 0 HA LYS A 33 11.220 47.097 -7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.307 45.946 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.447 47.628 -5.922 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.419 45.335 -7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.470 46.642 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.676 48.325 -8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.778 47.096 -8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.527 45.874 -9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.827 47.475 -9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.710 47.132 -11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.619 48.334 -11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.248 46.765 -11.275 1.00 0.00 H new ATOM 539 N GLU A 34 12.539 45.591 -4.926 1.00 0.00 N ATOM 540 CA GLU A 34 13.379 45.797 -3.736 1.00 0.00 C ATOM 541 C GLU A 34 14.614 44.906 -3.772 1.00 0.00 C ATOM 542 O GLU A 34 15.515 45.101 -2.953 1.00 0.00 O ATOM 543 CB GLU A 34 12.555 45.495 -2.479 1.00 0.00 C ATOM 544 CG GLU A 34 11.645 46.673 -2.112 1.00 0.00 C ATOM 545 CD GLU A 34 12.394 47.732 -1.286 1.00 0.00 C ATOM 546 OE1 GLU A 34 12.883 47.324 -0.211 1.00 0.00 O ATOM 547 OE2 GLU A 34 12.357 48.917 -1.690 1.00 0.00 O ATOM 0 H GLU A 34 12.456 44.621 -5.229 1.00 0.00 H new ATOM 0 HA GLU A 34 13.714 46.834 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.950 44.603 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.224 45.277 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.255 47.129 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.788 46.309 -1.546 1.00 0.00 H new ATOM 554 N GLY A 35 14.734 43.947 -4.735 1.00 0.00 N ATOM 555 CA GLY A 35 15.980 43.235 -4.938 1.00 0.00 C ATOM 556 C GLY A 35 16.237 42.129 -3.952 1.00 0.00 C ATOM 557 O GLY A 35 17.400 41.758 -3.736 1.00 0.00 O ATOM 0 H GLY A 35 13.980 43.669 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.984 42.815 -5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.803 43.948 -4.887 1.00 0.00 H new ATOM 561 N ILE A 36 15.118 41.511 -3.480 1.00 0.00 N ATOM 562 CA ILE A 36 15.096 40.367 -2.565 1.00 0.00 C ATOM 563 C ILE A 36 14.870 39.046 -3.321 1.00 0.00 C ATOM 564 O ILE A 36 13.851 38.906 -4.040 1.00 0.00 O ATOM 565 CB ILE A 36 13.917 40.522 -1.593 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.850 41.943 -0.922 1.00 0.00 C ATOM 567 CG2 ILE A 36 13.919 39.315 -0.536 1.00 0.00 C ATOM 568 CD1 ILE A 36 15.207 42.427 -0.260 1.00 0.00 C ATOM 0 H ILE A 36 14.182 41.817 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 36 16.056 40.342 -2.049 1.00 0.00 H new ATOM 0 HB ILE A 36 12.993 40.458 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 36 13.549 42.671 -1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.072 41.933 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.080 39.431 0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.826 38.367 -1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.852 39.326 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 36 15.066 43.416 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.503 41.724 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.986 42.474 -1.021 1.00 0.00 H new ATOM 580 N PRO A 37 15.765 38.110 -3.201 1.00 0.00 N ATOM 581 CA PRO A 37 15.522 36.810 -3.889 1.00 0.00 C ATOM 582 C PRO A 37 14.319 36.090 -3.293 1.00 0.00 C ATOM 583 O PRO A 37 14.118 36.356 -2.132 1.00 0.00 O ATOM 584 CB PRO A 37 16.837 36.019 -3.719 1.00 0.00 C ATOM 585 CG PRO A 37 17.909 37.114 -3.466 1.00 0.00 C ATOM 586 CD PRO A 37 17.148 38.185 -2.642 1.00 0.00 C ATOM 0 HA PRO A 37 15.276 36.934 -4.944 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.777 35.320 -2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.068 35.434 -4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.764 36.719 -2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.292 37.524 -4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 37 17.166 37.963 -1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.582 39.177 -2.768 1.00 0.00 H new ATOM 594 N PRO A 38 13.541 35.292 -4.017 1.00 0.00 N ATOM 595 CA PRO A 38 12.308 34.609 -3.466 1.00 0.00 C ATOM 596 C PRO A 38 12.496 33.655 -2.261 1.00 0.00 C ATOM 597 O PRO A 38 11.506 33.517 -1.511 1.00 0.00 O ATOM 598 CB PRO A 38 11.699 33.933 -4.753 1.00 0.00 C ATOM 599 CG PRO A 38 12.788 33.830 -5.752 1.00 0.00 C ATOM 600 CD PRO A 38 13.574 35.152 -5.465 1.00 0.00 C ATOM 0 HA PRO A 38 11.645 35.325 -2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.299 32.947 -4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.873 34.526 -5.145 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.403 32.943 -5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.409 33.788 -6.773 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.598 35.093 -5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.107 36.005 -5.956 1.00 0.00 H new ATOM 608 N ASP A 39 13.687 33.054 -2.038 1.00 0.00 N ATOM 609 CA ASP A 39 13.870 32.054 -0.973 1.00 0.00 C ATOM 610 C ASP A 39 14.038 32.782 0.372 1.00 0.00 C ATOM 611 O ASP A 39 13.877 32.170 1.426 1.00 0.00 O ATOM 612 CB ASP A 39 14.958 31.056 -1.449 1.00 0.00 C ATOM 613 CG ASP A 39 16.403 31.600 -1.470 1.00 0.00 C ATOM 614 OD1 ASP A 39 16.565 32.792 -1.746 1.00 0.00 O ATOM 615 OD2 ASP A 39 17.320 30.774 -1.323 1.00 0.00 O ATOM 0 H ASP A 39 14.529 33.246 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 39 13.009 31.415 -0.777 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.929 30.179 -0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.702 30.719 -2.453 1.00 0.00 H new ATOM 620 N GLN A 40 14.288 34.110 0.353 1.00 0.00 N ATOM 621 CA GLN A 40 14.223 34.915 1.548 1.00 0.00 C ATOM 622 C GLN A 40 12.770 35.379 1.844 1.00 0.00 C ATOM 623 O GLN A 40 12.514 35.930 2.926 1.00 0.00 O ATOM 624 CB GLN A 40 15.091 36.165 1.356 1.00 0.00 C ATOM 625 CG GLN A 40 16.589 35.851 1.065 1.00 0.00 C ATOM 626 CD GLN A 40 17.507 37.073 1.463 1.00 0.00 C ATOM 627 OE1 GLN A 40 17.926 37.881 0.621 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.768 37.266 2.809 1.00 0.00 N ATOM 0 H GLN A 40 14.536 34.629 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 40 14.577 34.308 2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.686 36.754 0.533 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.026 36.782 2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.894 34.965 1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.718 35.623 0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 40 17.421 36.598 3.497 1.00 0.00 H new ATOM 0 HE22 GLN A 40 18.308 38.076 3.113 1.00 0.00 H new ATOM 637 N GLN A 41 11.802 35.208 0.921 1.00 0.00 N ATOM 638 CA GLN A 41 10.521 35.988 1.108 1.00 0.00 C ATOM 639 C GLN A 41 9.435 35.096 1.568 1.00 0.00 C ATOM 640 O GLN A 41 9.271 34.049 1.028 1.00 0.00 O ATOM 641 CB GLN A 41 9.965 36.694 -0.129 1.00 0.00 C ATOM 642 CG GLN A 41 10.976 37.713 -0.761 1.00 0.00 C ATOM 643 CD GLN A 41 10.468 38.123 -2.167 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.226 38.325 -2.239 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.278 38.258 -3.222 1.00 0.00 N ATOM 0 H GLN A 41 11.849 34.600 0.103 1.00 0.00 H new ATOM 0 HA GLN A 41 10.812 36.751 1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.696 35.947 -0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.049 37.220 0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.072 38.592 -0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.966 37.264 -0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.278 38.085 -3.122 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.896 38.534 -4.127 1.00 0.00 H new ATOM 654 N ARG A 42 8.587 35.572 2.480 1.00 0.00 N ATOM 655 CA ARG A 42 7.468 34.806 2.965 1.00 0.00 C ATOM 656 C ARG A 42 6.349 35.830 2.840 1.00 0.00 C ATOM 657 O ARG A 42 6.521 36.975 3.283 1.00 0.00 O ATOM 658 CB ARG A 42 7.699 34.396 4.434 1.00 0.00 C ATOM 659 CG ARG A 42 9.013 33.612 4.778 1.00 0.00 C ATOM 660 CD ARG A 42 9.303 32.390 3.854 1.00 0.00 C ATOM 661 NE ARG A 42 10.741 32.220 3.603 1.00 0.00 N ATOM 662 CZ ARG A 42 11.606 31.634 4.450 1.00 0.00 C ATOM 663 NH1 ARG A 42 11.236 31.223 5.662 1.00 0.00 N ATOM 664 NH2 ARG A 42 12.796 31.320 4.022 1.00 0.00 N ATOM 0 H ARG A 42 8.667 36.500 2.895 1.00 0.00 H new ATOM 0 HA ARG A 42 7.278 33.873 2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.681 35.301 5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.853 33.785 4.748 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.856 34.301 4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.953 33.264 5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.906 31.485 4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.782 32.521 2.905 1.00 0.00 H new ATOM 0 HE ARG A 42 11.111 32.573 2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.272 31.349 5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.916 30.782 6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.060 31.519 3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.464 30.875 4.652 1.00 0.00 H new ATOM 678 N LEU A 43 5.196 35.421 2.241 1.00 0.00 N ATOM 679 CA LEU A 43 4.034 36.193 2.216 1.00 0.00 C ATOM 680 C LEU A 43 2.937 35.607 3.073 1.00 0.00 C ATOM 681 O LEU A 43 2.727 34.415 3.126 1.00 0.00 O ATOM 682 CB LEU A 43 3.567 36.248 0.737 1.00 0.00 C ATOM 683 CG LEU A 43 4.524 37.219 -0.023 1.00 0.00 C ATOM 684 CD1 LEU A 43 4.335 37.081 -1.574 1.00 0.00 C ATOM 685 CD2 LEU A 43 4.185 38.723 0.314 1.00 0.00 C ATOM 0 H LEU A 43 5.101 34.522 1.769 1.00 0.00 H new ATOM 0 HA LEU A 43 4.247 37.184 2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.595 35.255 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.537 36.598 0.673 1.00 0.00 H new ATOM 0 HG LEU A 43 5.537 36.960 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.011 37.766 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.557 36.058 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.305 37.323 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.866 39.380 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.159 38.940 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.296 38.890 1.385 1.00 0.00 H new ATOM 697 N ILE A 44 2.288 36.522 3.816 1.00 0.00 N ATOM 698 CA ILE A 44 1.182 36.249 4.751 1.00 0.00 C ATOM 699 C ILE A 44 -0.031 37.096 4.324 1.00 0.00 C ATOM 700 O ILE A 44 0.193 38.250 4.048 1.00 0.00 O ATOM 701 CB ILE A 44 1.636 36.643 6.162 1.00 0.00 C ATOM 702 CG1 ILE A 44 2.757 35.709 6.705 1.00 0.00 C ATOM 703 CG2 ILE A 44 0.373 36.401 7.112 1.00 0.00 C ATOM 704 CD1 ILE A 44 4.229 36.182 6.421 1.00 0.00 C ATOM 0 H ILE A 44 2.530 37.512 3.780 1.00 0.00 H new ATOM 0 HA ILE A 44 0.907 35.194 4.742 1.00 0.00 H new ATOM 0 HB ILE A 44 2.008 37.667 6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.629 35.605 7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.622 34.718 6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.633 36.665 8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.458 37.022 6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.082 35.351 7.070 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.930 35.461 6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.386 36.257 5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.393 37.157 6.880 1.00 0.00 H new ATOM 716 N PHE A 45 -1.254 36.528 4.242 1.00 0.00 N ATOM 717 CA PHE A 45 -2.482 37.295 3.917 1.00 0.00 C ATOM 718 C PHE A 45 -3.539 36.594 4.808 1.00 0.00 C ATOM 719 O PHE A 45 -3.546 35.361 4.887 1.00 0.00 O ATOM 720 CB PHE A 45 -2.912 37.232 2.365 1.00 0.00 C ATOM 721 CG PHE A 45 -4.227 37.980 2.006 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.206 39.395 1.929 1.00 0.00 C ATOM 723 CD2 PHE A 45 -5.416 37.294 1.676 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.345 40.159 1.605 1.00 0.00 C ATOM 725 CE2 PHE A 45 -6.572 38.061 1.417 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.556 39.450 1.355 1.00 0.00 C ATOM 0 H PHE A 45 -1.420 35.534 4.397 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.354 38.363 4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.103 37.647 1.764 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.019 36.186 2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.277 39.910 2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.440 36.216 1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.302 41.237 1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.509 37.547 1.260 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.460 39.991 1.118 1.00 0.00 H new ATOM 736 N ALA A 46 -4.426 37.365 5.509 1.00 0.00 N ATOM 737 CA ALA A 46 -5.476 36.880 6.433 1.00 0.00 C ATOM 738 C ALA A 46 -4.968 36.031 7.605 1.00 0.00 C ATOM 739 O ALA A 46 -5.657 35.091 8.053 1.00 0.00 O ATOM 740 CB ALA A 46 -6.494 36.075 5.645 1.00 0.00 C ATOM 0 H ALA A 46 -4.420 38.382 5.435 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.913 37.773 6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.272 35.713 6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.942 36.707 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.000 35.226 5.173 1.00 0.00 H new ATOM 746 N GLY A 47 -3.733 36.357 8.003 1.00 0.00 N ATOM 747 CA GLY A 47 -2.885 35.606 8.940 1.00 0.00 C ATOM 748 C GLY A 47 -2.432 34.217 8.531 1.00 0.00 C ATOM 749 O GLY A 47 -2.061 33.457 9.454 1.00 0.00 O ATOM 0 H GLY A 47 -3.271 37.200 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.995 36.203 9.138 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.425 35.517 9.883 1.00 0.00 H new ATOM 753 N LYS A 48 -2.519 33.863 7.235 1.00 0.00 N ATOM 754 CA LYS A 48 -2.194 32.537 6.710 1.00 0.00 C ATOM 755 C LYS A 48 -1.084 32.624 5.625 1.00 0.00 C ATOM 756 O LYS A 48 -0.777 33.650 5.029 1.00 0.00 O ATOM 757 CB LYS A 48 -3.505 31.910 6.098 1.00 0.00 C ATOM 758 CG LYS A 48 -4.688 31.669 7.114 1.00 0.00 C ATOM 759 CD LYS A 48 -6.016 31.065 6.479 1.00 0.00 C ATOM 760 CE LYS A 48 -6.626 31.978 5.375 1.00 0.00 C ATOM 761 NZ LYS A 48 -7.813 31.314 4.809 1.00 0.00 N ATOM 0 H LYS A 48 -2.826 34.513 6.511 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.817 31.910 7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.861 32.565 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.248 30.957 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.341 30.996 7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.932 32.617 7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.797 30.085 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.754 30.913 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.900 32.946 5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.891 32.167 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.228 31.916 4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.536 30.401 4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.514 31.156 5.561 1.00 0.00 H new ATOM 775 N GLN A 49 -0.378 31.522 5.585 1.00 0.00 N ATOM 776 CA GLN A 49 0.822 31.340 4.739 1.00 0.00 C ATOM 777 C GLN A 49 0.406 31.212 3.264 1.00 0.00 C ATOM 778 O GLN A 49 -0.516 30.459 2.920 1.00 0.00 O ATOM 779 CB GLN A 49 1.637 30.085 5.220 1.00 0.00 C ATOM 780 CG GLN A 49 2.036 30.086 6.730 1.00 0.00 C ATOM 781 CD GLN A 49 2.257 31.528 7.256 1.00 0.00 C ATOM 782 OE1 GLN A 49 2.929 32.402 6.646 1.00 0.00 O ATOM 783 NE2 GLN A 49 1.586 31.842 8.326 1.00 0.00 N ATOM 0 H GLN A 49 -0.608 30.699 6.142 1.00 0.00 H new ATOM 0 HA GLN A 49 1.469 32.212 4.832 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.048 29.191 5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.545 30.011 4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.255 29.600 7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.947 29.503 6.868 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.044 31.130 8.815 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.602 32.800 8.675 1.00 0.00 H new ATOM 792 N LEU A 50 1.074 31.983 2.364 1.00 0.00 N ATOM 793 CA LEU A 50 0.838 31.788 0.882 1.00 0.00 C ATOM 794 C LEU A 50 1.896 30.907 0.252 1.00 0.00 C ATOM 795 O LEU A 50 3.059 31.209 0.384 1.00 0.00 O ATOM 796 CB LEU A 50 0.801 33.077 0.020 1.00 0.00 C ATOM 797 CG LEU A 50 -0.028 34.172 0.686 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.251 35.404 -0.242 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.424 33.648 1.069 1.00 0.00 C ATOM 0 H LEU A 50 1.747 32.710 2.605 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.154 31.337 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.817 33.437 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.383 32.848 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 50 0.541 34.472 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.846 36.151 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.713 35.834 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.776 35.090 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.995 34.447 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.945 33.311 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.322 32.815 1.764 1.00 0.00 H new ATOM 811 N GLU A 51 1.432 29.865 -0.471 1.00 0.00 N ATOM 812 CA GLU A 51 2.314 28.867 -1.095 1.00 0.00 C ATOM 813 C GLU A 51 2.739 29.465 -2.442 1.00 0.00 C ATOM 814 O GLU A 51 1.993 30.271 -3.025 1.00 0.00 O ATOM 815 CB GLU A 51 1.615 27.517 -1.311 1.00 0.00 C ATOM 816 CG GLU A 51 1.152 26.999 0.062 1.00 0.00 C ATOM 817 CD GLU A 51 0.759 25.491 -0.037 1.00 0.00 C ATOM 818 OE1 GLU A 51 1.609 24.674 -0.391 1.00 0.00 O ATOM 819 OE2 GLU A 51 -0.370 25.187 0.362 1.00 0.00 O ATOM 0 H GLU A 51 0.440 29.696 -0.635 1.00 0.00 H new ATOM 0 HA GLU A 51 3.164 28.660 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.764 27.631 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.296 26.805 -1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.948 27.128 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.300 27.583 0.411 1.00 0.00 H new ATOM 826 N ASP A 52 3.977 29.198 -2.910 1.00 0.00 N ATOM 827 CA ASP A 52 4.425 29.784 -4.145 1.00 0.00 C ATOM 828 C ASP A 52 3.651 29.444 -5.475 1.00 0.00 C ATOM 829 O ASP A 52 3.411 30.378 -6.234 1.00 0.00 O ATOM 830 CB ASP A 52 5.917 29.435 -4.361 1.00 0.00 C ATOM 831 CG ASP A 52 6.854 30.116 -3.341 1.00 0.00 C ATOM 832 OD1 ASP A 52 6.400 30.662 -2.337 1.00 0.00 O ATOM 833 OD2 ASP A 52 8.064 29.931 -3.557 1.00 0.00 O ATOM 0 H ASP A 52 4.654 28.592 -2.448 1.00 0.00 H new ATOM 0 HA ASP A 52 4.223 30.844 -3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.044 28.354 -4.296 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.211 29.731 -5.368 1.00 0.00 H new ATOM 838 N GLY A 53 3.317 28.169 -5.768 1.00 0.00 N ATOM 839 CA GLY A 53 2.701 27.748 -7.056 1.00 0.00 C ATOM 840 C GLY A 53 1.243 28.136 -7.203 1.00 0.00 C ATOM 841 O GLY A 53 0.735 28.150 -8.315 1.00 0.00 O ATOM 0 H GLY A 53 3.465 27.396 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.267 28.187 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.789 26.666 -7.151 1.00 0.00 H new ATOM 845 N ARG A 54 0.655 28.449 -6.045 1.00 0.00 N ATOM 846 CA ARG A 54 -0.731 28.957 -5.889 1.00 0.00 C ATOM 847 C ARG A 54 -0.920 30.387 -6.471 1.00 0.00 C ATOM 848 O ARG A 54 -0.137 31.284 -6.297 1.00 0.00 O ATOM 849 CB ARG A 54 -1.221 28.932 -4.407 1.00 0.00 C ATOM 850 CG ARG A 54 -1.285 27.471 -3.835 1.00 0.00 C ATOM 851 CD ARG A 54 -2.381 26.656 -4.546 1.00 0.00 C ATOM 852 NE ARG A 54 -2.162 25.264 -4.027 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.854 24.198 -4.350 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.862 24.125 -5.191 1.00 0.00 N ATOM 855 NH2 ARG A 54 -2.698 23.099 -3.647 1.00 0.00 N ATOM 0 H ARG A 54 1.140 28.356 -5.152 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.344 28.266 -6.468 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.550 29.533 -3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.208 29.390 -4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.320 26.982 -3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.485 27.503 -2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.378 27.024 -4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.279 26.703 -5.630 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.402 25.135 -3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.184 24.963 -5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.322 23.230 -5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.046 23.083 -2.863 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.229 22.261 -3.885 1.00 0.00 H new ATOM 869 N THR A 55 -2.071 30.615 -7.163 1.00 0.00 N ATOM 870 CA THR A 55 -2.446 31.945 -7.633 1.00 0.00 C ATOM 871 C THR A 55 -3.133 32.822 -6.544 1.00 0.00 C ATOM 872 O THR A 55 -3.502 32.382 -5.460 1.00 0.00 O ATOM 873 CB THR A 55 -3.419 31.813 -8.864 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.612 31.095 -8.549 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.755 31.050 -9.997 1.00 0.00 C ATOM 0 H THR A 55 -2.743 29.885 -7.399 1.00 0.00 H new ATOM 0 HA THR A 55 -1.518 32.445 -7.910 1.00 0.00 H new ATOM 0 HB THR A 55 -3.663 32.837 -9.149 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.182 31.042 -9.345 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.446 30.971 -10.836 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.857 31.579 -10.315 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.485 30.051 -9.654 1.00 0.00 H new ATOM 883 N LEU A 56 -3.210 34.102 -6.893 1.00 0.00 N ATOM 884 CA LEU A 56 -4.009 35.125 -6.144 1.00 0.00 C ATOM 885 C LEU A 56 -5.499 34.711 -6.113 1.00 0.00 C ATOM 886 O LEU A 56 -6.181 34.720 -5.061 1.00 0.00 O ATOM 887 CB LEU A 56 -3.867 36.492 -6.913 1.00 0.00 C ATOM 888 CG LEU A 56 -2.397 36.998 -6.909 1.00 0.00 C ATOM 889 CD1 LEU A 56 -2.129 37.861 -8.176 1.00 0.00 C ATOM 890 CD2 LEU A 56 -2.124 37.737 -5.574 1.00 0.00 C ATOM 0 H LEU A 56 -2.725 34.483 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.649 35.212 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.208 36.369 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.511 37.240 -6.450 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.694 36.167 -6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.097 38.212 -8.166 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.299 37.259 -9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.803 38.717 -8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.095 38.096 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.805 38.583 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.280 37.052 -4.741 1.00 0.00 H new ATOM 902 N SER A 57 -5.969 34.210 -7.247 1.00 0.00 N ATOM 903 CA SER A 57 -7.370 33.670 -7.370 1.00 0.00 C ATOM 904 C SER A 57 -7.754 32.571 -6.318 1.00 0.00 C ATOM 905 O SER A 57 -8.862 32.553 -5.720 1.00 0.00 O ATOM 906 CB SER A 57 -7.618 33.245 -8.832 1.00 0.00 C ATOM 907 OG SER A 57 -8.879 32.563 -9.024 1.00 0.00 O ATOM 0 H SER A 57 -5.424 34.154 -8.108 1.00 0.00 H new ATOM 0 HA SER A 57 -8.056 34.478 -7.114 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.590 34.129 -9.470 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.807 32.593 -9.156 1.00 0.00 H new ATOM 0 HG SER A 57 -8.979 32.321 -9.968 1.00 0.00 H new ATOM 913 N ASP A 58 -6.835 31.620 -6.129 1.00 0.00 N ATOM 914 CA ASP A 58 -6.919 30.489 -5.192 1.00 0.00 C ATOM 915 C ASP A 58 -7.228 30.925 -3.743 1.00 0.00 C ATOM 916 O ASP A 58 -7.972 30.219 -3.026 1.00 0.00 O ATOM 917 CB ASP A 58 -5.607 29.672 -5.285 1.00 0.00 C ATOM 918 CG ASP A 58 -5.432 29.054 -6.715 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.444 28.856 -7.377 1.00 0.00 O ATOM 920 OD2 ASP A 58 -4.314 28.730 -7.127 1.00 0.00 O ATOM 0 H ASP A 58 -5.961 31.616 -6.655 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.763 29.862 -5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.757 30.315 -5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.616 28.877 -4.540 1.00 0.00 H new ATOM 925 N TYR A 59 -6.667 32.045 -3.296 1.00 0.00 N ATOM 926 CA TYR A 59 -6.832 32.550 -1.941 1.00 0.00 C ATOM 927 C TYR A 59 -7.870 33.603 -1.798 1.00 0.00 C ATOM 928 O TYR A 59 -8.120 34.031 -0.672 1.00 0.00 O ATOM 929 CB TYR A 59 -5.454 33.186 -1.633 1.00 0.00 C ATOM 930 CG TYR A 59 -4.434 32.134 -1.334 1.00 0.00 C ATOM 931 CD1 TYR A 59 -3.271 31.964 -2.108 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.605 31.285 -0.237 1.00 0.00 C ATOM 933 CE1 TYR A 59 -2.309 31.017 -1.776 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.640 30.301 0.076 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.500 30.133 -0.700 1.00 0.00 C ATOM 936 OH TYR A 59 -1.609 29.104 -0.435 1.00 0.00 O ATOM 0 H TYR A 59 -6.074 32.636 -3.878 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.149 31.745 -1.278 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.127 33.784 -2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.543 33.863 -0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.122 32.584 -2.980 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.486 31.382 0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.399 30.959 -2.355 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.792 29.666 0.937 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.913 28.603 0.350 1.00 0.00 H new ATOM 946 N ASN A 60 -8.531 33.967 -2.913 1.00 0.00 N ATOM 947 CA ASN A 60 -9.520 35.021 -3.007 1.00 0.00 C ATOM 948 C ASN A 60 -8.957 36.447 -2.665 1.00 0.00 C ATOM 949 O ASN A 60 -9.618 37.242 -2.002 1.00 0.00 O ATOM 950 CB ASN A 60 -10.902 34.734 -2.275 1.00 0.00 C ATOM 951 CG ASN A 60 -11.329 33.369 -2.809 1.00 0.00 C ATOM 952 OD1 ASN A 60 -11.400 32.420 -2.009 1.00 0.00 O ATOM 953 ND2 ASN A 60 -11.910 33.220 -3.972 1.00 0.00 N ATOM 0 H ASN A 60 -8.372 33.503 -3.807 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.766 35.022 -4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.784 34.719 -1.192 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.642 35.501 -2.504 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.396 32.351 -4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.877 33.973 -4.659 1.00 0.00 H new ATOM 960 N ILE A 61 -7.758 36.800 -3.191 1.00 0.00 N ATOM 961 CA ILE A 61 -7.200 38.150 -3.061 1.00 0.00 C ATOM 962 C ILE A 61 -7.766 39.096 -4.147 1.00 0.00 C ATOM 963 O ILE A 61 -7.568 38.917 -5.327 1.00 0.00 O ATOM 964 CB ILE A 61 -5.655 38.066 -3.085 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.163 37.548 -1.695 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.043 39.453 -3.431 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.650 37.005 -1.829 1.00 0.00 C ATOM 0 H ILE A 61 -7.162 36.156 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.499 38.581 -2.105 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.327 37.370 -3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.209 38.350 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.817 36.751 -1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.956 39.378 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.396 39.772 -4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.347 40.182 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.306 36.644 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.619 36.190 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.002 37.814 -2.165 1.00 0.00 H new ATOM 979 N GLN A 62 -8.445 40.123 -3.701 1.00 0.00 N ATOM 980 CA GLN A 62 -9.077 41.044 -4.627 1.00 0.00 C ATOM 981 C GLN A 62 -8.168 42.254 -4.874 1.00 0.00 C ATOM 982 O GLN A 62 -7.245 42.438 -4.116 1.00 0.00 O ATOM 983 CB GLN A 62 -10.369 41.556 -3.959 1.00 0.00 C ATOM 984 CG GLN A 62 -11.376 40.400 -3.548 1.00 0.00 C ATOM 985 CD GLN A 62 -12.159 39.821 -4.746 1.00 0.00 C ATOM 986 OE1 GLN A 62 -11.632 38.990 -5.554 1.00 0.00 O ATOM 987 NE2 GLN A 62 -13.489 39.995 -4.798 1.00 0.00 N ATOM 0 H GLN A 62 -8.577 40.346 -2.714 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.275 40.539 -5.572 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.105 42.129 -3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.874 42.240 -4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.820 39.597 -3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.082 40.786 -2.813 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.942 40.653 -4.164 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.046 39.469 -5.471 1.00 0.00 H new ATOM 996 N LYS A 63 -8.492 43.072 -5.906 1.00 0.00 N ATOM 997 CA LYS A 63 -7.794 44.336 -6.178 1.00 0.00 C ATOM 998 C LYS A 63 -7.681 45.265 -4.972 1.00 0.00 C ATOM 999 O LYS A 63 -8.561 45.326 -4.108 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.353 45.037 -7.465 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.769 45.814 -7.407 1.00 0.00 C ATOM 1002 CD LYS A 63 -9.817 47.192 -6.644 1.00 0.00 C ATOM 1003 CE LYS A 63 -11.048 48.088 -7.121 1.00 0.00 C ATOM 1004 NZ LYS A 63 -11.249 49.202 -6.139 1.00 0.00 N ATOM 0 H LYS A 63 -9.243 42.868 -6.566 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.759 44.069 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.602 45.754 -7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.432 44.276 -8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.099 45.986 -8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.498 45.149 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.892 47.012 -5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.886 47.734 -6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.857 48.492 -8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.951 47.481 -7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.781 49.972 -6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.782 48.849 -5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.324 49.558 -5.824 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.515 45.938 -4.902 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.224 46.995 -3.881 1.00 0.00 C ATOM 1020 C GLU A 64 -6.033 46.404 -2.501 1.00 0.00 C ATOM 1021 O GLU A 64 -6.072 47.131 -1.528 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.237 48.182 -4.040 1.00 0.00 C ATOM 1023 CG GLU A 64 -6.689 49.118 -5.176 1.00 0.00 C ATOM 1024 CD GLU A 64 -7.536 50.409 -5.241 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -6.964 51.480 -5.401 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -8.750 50.248 -5.228 1.00 0.00 O ATOM 0 H GLU A 64 -5.741 45.773 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.252 47.457 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.229 47.809 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.335 48.731 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.645 49.366 -4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.723 48.601 -6.135 1.00 0.00 H new ATOM 1033 N SER A 65 -5.803 45.091 -2.387 1.00 0.00 N ATOM 1034 CA SER A 65 -5.605 44.520 -1.036 1.00 0.00 C ATOM 1035 C SER A 65 -4.232 44.814 -0.424 1.00 0.00 C ATOM 1036 O SER A 65 -3.250 44.965 -1.121 1.00 0.00 O ATOM 1037 CB SER A 65 -5.720 43.012 -0.968 1.00 0.00 C ATOM 1038 OG SER A 65 -7.017 42.623 -1.392 1.00 0.00 O ATOM 0 H SER A 65 -5.750 44.429 -3.162 1.00 0.00 H new ATOM 0 HA SER A 65 -6.409 45.010 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.963 42.549 -1.601 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.539 42.667 0.050 1.00 0.00 H new ATOM 0 HG SER A 65 -7.001 42.420 -2.351 1.00 0.00 H new ATOM 1044 N THR A 66 -4.083 44.757 0.901 1.00 0.00 N ATOM 1045 CA THR A 66 -2.745 45.001 1.483 1.00 0.00 C ATOM 1046 C THR A 66 -2.293 43.644 2.020 1.00 0.00 C ATOM 1047 O THR A 66 -2.912 43.044 2.885 1.00 0.00 O ATOM 1048 CB THR A 66 -2.752 46.052 2.587 1.00 0.00 C ATOM 1049 OG1 THR A 66 -3.302 47.270 2.065 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.267 46.437 2.933 1.00 0.00 C ATOM 0 H THR A 66 -4.826 44.555 1.570 1.00 0.00 H new ATOM 0 HA THR A 66 -2.068 45.403 0.729 1.00 0.00 H new ATOM 0 HB THR A 66 -3.306 45.656 3.438 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.312 47.952 2.769 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.260 47.189 3.722 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.731 45.551 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.779 46.839 2.045 1.00 0.00 H new ATOM 1058 N LEU A 67 -1.221 43.159 1.434 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.552 41.873 1.829 1.00 0.00 C ATOM 1060 C LEU A 67 0.661 42.098 2.805 1.00 0.00 C ATOM 1061 O LEU A 67 1.246 43.178 2.908 1.00 0.00 O ATOM 1062 CB LEU A 67 -0.085 41.090 0.563 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.182 40.362 -0.252 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.277 41.299 -0.812 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -0.523 39.552 -1.422 1.00 0.00 C ATOM 0 H LEU A 67 -0.759 43.630 0.656 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.294 41.283 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.423 41.789 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.654 40.351 0.874 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.685 39.692 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.007 40.713 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.775 41.810 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.822 42.036 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.298 39.041 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.020 40.234 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.169 38.817 -1.011 1.00 0.00 H new ATOM 1077 N HIS A 68 1.128 41.031 3.504 1.00 0.00 N ATOM 1078 CA HIS A 68 2.276 41.165 4.427 1.00 0.00 C ATOM 1079 C HIS A 68 3.417 40.304 3.966 1.00 0.00 C ATOM 1080 O HIS A 68 3.201 39.212 3.536 1.00 0.00 O ATOM 1081 CB HIS A 68 1.852 40.821 5.912 1.00 0.00 C ATOM 1082 CG HIS A 68 0.878 41.782 6.479 1.00 0.00 C ATOM 1083 ND1 HIS A 68 0.004 41.430 7.518 1.00 0.00 N ATOM 1084 CD2 HIS A 68 0.554 43.086 6.175 1.00 0.00 C ATOM 1085 CE1 HIS A 68 -0.763 42.491 7.773 1.00 0.00 C ATOM 1086 NE2 HIS A 68 -0.468 43.529 6.981 1.00 0.00 N ATOM 0 H HIS A 68 0.736 40.091 3.446 1.00 0.00 H new ATOM 0 HA HIS A 68 2.611 42.202 4.418 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.421 39.820 5.937 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.742 40.801 6.542 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.035 43.678 5.410 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.533 42.510 8.530 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.907 44.450 6.976 1.00 0.00 H new ATOM 1094 N LEU A 69 4.634 40.871 4.091 1.00 0.00 N ATOM 1095 CA LEU A 69 5.937 40.325 3.639 1.00 0.00 C ATOM 1096 C LEU A 69 6.819 40.040 4.865 1.00 0.00 C ATOM 1097 O LEU A 69 6.915 40.905 5.727 1.00 0.00 O ATOM 1098 CB LEU A 69 6.544 41.294 2.549 1.00 0.00 C ATOM 1099 CG LEU A 69 7.972 40.981 2.064 1.00 0.00 C ATOM 1100 CD1 LEU A 69 8.088 39.516 1.529 1.00 0.00 C ATOM 1101 CD2 LEU A 69 8.257 41.943 0.852 1.00 0.00 C ATOM 0 H LEU A 69 4.744 41.781 4.539 1.00 0.00 H new ATOM 0 HA LEU A 69 5.841 39.361 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.882 41.290 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.536 42.307 2.952 1.00 0.00 H new ATOM 0 HG LEU A 69 8.669 41.108 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.109 39.330 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.834 38.817 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.402 39.379 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.262 41.760 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.529 41.758 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.178 42.979 1.183 1.00 0.00 H new ATOM 1113 N VAL A 70 7.372 38.824 4.974 1.00 0.00 N ATOM 1114 CA VAL A 70 8.375 38.584 6.038 1.00 0.00 C ATOM 1115 C VAL A 70 9.680 38.239 5.351 1.00 0.00 C ATOM 1116 O VAL A 70 9.685 37.301 4.568 1.00 0.00 O ATOM 1117 CB VAL A 70 7.817 37.542 6.960 1.00 0.00 C ATOM 1118 CG1 VAL A 70 8.969 36.892 7.886 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.676 38.317 7.797 1.00 0.00 C ATOM 0 H VAL A 70 7.162 38.025 4.376 1.00 0.00 H new ATOM 0 HA VAL A 70 8.588 39.447 6.669 1.00 0.00 H new ATOM 0 HB VAL A 70 7.398 36.686 6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.528 36.141 8.542 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.723 36.424 7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.434 37.672 8.489 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.210 37.628 8.501 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.126 39.146 8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.920 38.702 7.112 1.00 0.00 H new