USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 167:sc= 0.417 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.297 K(o=-0.3,f=-8.3!) USER MOD Single : A 10 LYS NZ :NH3+ -159:sc= 1.26 (180deg=0.933) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 1.84 (180deg=1.77) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0.804 (180deg=0.804) USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0.914 (180deg=0.902) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 44 THR OG1 : rot 74:sc= 0.332 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0.794 (180deg=0.695) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -9:sc= 0.41 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -75:sc= 0.414 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -5.352 14.025 9.104 1.00 0.00 N ATOM 2 CA THR A 1 -6.049 13.209 8.118 1.00 0.00 C ATOM 3 C THR A 1 -7.432 12.806 8.614 1.00 0.00 C ATOM 4 O THR A 1 -7.561 12.122 9.630 1.00 0.00 O ATOM 5 CB THR A 1 -5.250 11.940 7.768 1.00 0.00 C ATOM 6 OG1 THR A 1 -4.015 12.307 7.141 1.00 0.00 O ATOM 7 CG2 THR A 1 -6.047 11.050 6.826 1.00 0.00 C ATOM 0 H1 THR A 1 -4.413 14.284 8.739 1.00 0.00 H new ATOM 0 H2 THR A 1 -5.901 14.888 9.291 1.00 0.00 H new ATOM 0 H3 THR A 1 -5.243 13.486 9.987 1.00 0.00 H new ATOM 0 HA THR A 1 -6.152 13.821 7.222 1.00 0.00 H new ATOM 0 HB THR A 1 -5.049 11.391 8.688 1.00 0.00 H new ATOM 0 HG1 THR A 1 -3.421 11.529 7.109 1.00 0.00 H new ATOM 0 HG21 THR A 1 -5.466 10.158 6.590 1.00 0.00 H new ATOM 0 HG22 THR A 1 -6.982 10.758 7.305 1.00 0.00 H new ATOM 0 HG23 THR A 1 -6.265 11.595 5.908 1.00 0.00 H new ATOM 17 N THR A 2 -8.463 13.232 7.893 1.00 0.00 N ATOM 18 CA THR A 2 -9.835 12.889 8.241 1.00 0.00 C ATOM 19 C THR A 2 -10.396 11.833 7.296 1.00 0.00 C ATOM 20 O THR A 2 -11.569 11.473 7.375 1.00 0.00 O ATOM 21 CB THR A 2 -10.753 14.126 8.213 1.00 0.00 C ATOM 22 OG1 THR A 2 -10.747 14.698 6.899 1.00 0.00 O ATOM 23 CG2 THR A 2 -10.279 15.164 9.218 1.00 0.00 C ATOM 0 H THR A 2 -8.373 13.817 7.062 1.00 0.00 H new ATOM 0 HA THR A 2 -9.810 12.490 9.255 1.00 0.00 H new ATOM 0 HB THR A 2 -11.764 13.817 8.477 1.00 0.00 H new ATOM 0 HG1 THR A 2 -11.332 15.484 6.882 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.939 16.031 9.185 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.295 14.734 10.220 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.263 15.472 8.971 1.00 0.00 H new ATOM 31 N TYR A 3 -9.548 11.339 6.399 1.00 0.00 N ATOM 32 CA TYR A 3 -9.974 10.381 5.387 1.00 0.00 C ATOM 33 C TYR A 3 -9.305 9.028 5.593 1.00 0.00 C ATOM 34 O TYR A 3 -8.335 8.912 6.341 1.00 0.00 O ATOM 35 CB TYR A 3 -9.667 10.911 3.984 1.00 0.00 C ATOM 36 CG TYR A 3 -10.361 12.213 3.655 1.00 0.00 C ATOM 37 CD1 TYR A 3 -11.646 12.222 3.132 1.00 0.00 C ATOM 38 CD2 TYR A 3 -9.730 13.430 3.864 1.00 0.00 C ATOM 39 CE1 TYR A 3 -12.285 13.409 2.829 1.00 0.00 C ATOM 40 CE2 TYR A 3 -10.360 14.624 3.566 1.00 0.00 C ATOM 41 CZ TYR A 3 -11.637 14.608 3.048 1.00 0.00 C ATOM 42 OH TYR A 3 -12.270 15.792 2.747 1.00 0.00 O ATOM 0 H TYR A 3 -8.560 11.588 6.353 1.00 0.00 H new ATOM 0 HA TYR A 3 -11.051 10.248 5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.590 11.050 3.886 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.959 10.160 3.251 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -12.155 11.286 2.959 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.728 13.445 4.267 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -13.286 13.399 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -9.855 15.563 3.738 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.678 16.543 2.961 1.00 0.00 H new ATOM 52 N LYS A 4 -9.831 8.007 4.924 1.00 0.00 N ATOM 53 CA LYS A 4 -9.208 6.688 4.930 1.00 0.00 C ATOM 54 C LYS A 4 -7.813 6.734 4.321 1.00 0.00 C ATOM 55 O LYS A 4 -6.937 5.953 4.693 1.00 0.00 O ATOM 56 CB LYS A 4 -10.078 5.683 4.173 1.00 0.00 C ATOM 57 CG LYS A 4 -11.380 5.320 4.879 1.00 0.00 C ATOM 58 CD LYS A 4 -12.190 4.323 4.065 1.00 0.00 C ATOM 59 CE LYS A 4 -13.491 3.962 4.767 1.00 0.00 C ATOM 60 NZ LYS A 4 -14.309 3.008 3.969 1.00 0.00 N ATOM 0 H LYS A 4 -10.686 8.067 4.371 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.116 6.368 5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.313 6.092 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.501 4.773 4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.159 4.898 5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.970 6.221 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.409 4.744 3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.601 3.421 3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.268 3.523 5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.068 4.869 4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.186 2.788 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.544 3.436 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.769 2.132 3.815 1.00 0.00 H new ATOM 74 N LEU A 5 -7.613 7.654 3.385 1.00 0.00 N ATOM 75 CA LEU A 5 -6.302 7.858 2.779 1.00 0.00 C ATOM 76 C LEU A 5 -5.485 8.880 3.558 1.00 0.00 C ATOM 77 O LEU A 5 -5.939 10.001 3.796 1.00 0.00 O ATOM 78 CB LEU A 5 -6.457 8.300 1.317 1.00 0.00 C ATOM 79 CG LEU A 5 -5.168 8.789 0.644 1.00 0.00 C ATOM 80 CD1 LEU A 5 -4.138 7.667 0.611 1.00 0.00 C ATOM 81 CD2 LEU A 5 -5.483 9.274 -0.763 1.00 0.00 C ATOM 0 H LEU A 5 -8.342 8.271 3.029 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.766 6.910 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.854 7.464 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.197 9.099 1.272 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.750 9.618 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.227 8.024 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.912 7.350 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.537 6.823 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.567 9.622 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.908 8.455 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.200 10.093 -0.713 1.00 0.00 H new ATOM 93 N ILE A 6 -4.280 8.490 3.955 1.00 0.00 N ATOM 94 CA ILE A 6 -3.369 9.396 4.645 1.00 0.00 C ATOM 95 C ILE A 6 -2.979 10.569 3.755 1.00 0.00 C ATOM 96 O ILE A 6 -2.487 10.380 2.643 1.00 0.00 O ATOM 97 CB ILE A 6 -2.094 8.669 5.110 1.00 0.00 C ATOM 98 CG1 ILE A 6 -2.439 7.587 6.137 1.00 0.00 C ATOM 99 CG2 ILE A 6 -1.099 9.661 5.694 1.00 0.00 C ATOM 100 CD1 ILE A 6 -1.287 6.665 6.463 1.00 0.00 C ATOM 0 H ILE A 6 -3.910 7.550 3.811 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.901 9.770 5.520 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.635 8.189 4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.780 8.066 7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.272 6.993 5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.204 9.130 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.831 10.396 4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.549 10.168 6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.609 5.926 7.197 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.960 6.157 5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.460 7.246 6.872 1.00 0.00 H new ATOM 112 N LEU A 7 -3.202 11.781 4.251 1.00 0.00 N ATOM 113 CA LEU A 7 -2.997 12.984 3.454 1.00 0.00 C ATOM 114 C LEU A 7 -1.523 13.370 3.409 1.00 0.00 C ATOM 115 O LEU A 7 -1.086 14.083 2.505 1.00 0.00 O ATOM 116 CB LEU A 7 -3.833 14.141 4.015 1.00 0.00 C ATOM 117 CG LEU A 7 -5.351 13.934 3.960 1.00 0.00 C ATOM 118 CD1 LEU A 7 -6.064 15.111 4.614 1.00 0.00 C ATOM 119 CD2 LEU A 7 -5.792 13.773 2.512 1.00 0.00 C ATOM 0 H LEU A 7 -3.525 11.956 5.202 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.322 12.774 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.542 14.309 5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.586 15.048 3.464 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.613 13.029 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.142 14.954 4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.752 15.193 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.809 16.030 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.871 13.626 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.528 14.669 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.293 12.909 2.074 1.00 0.00 H new ATOM 131 N ASN A 8 -0.761 12.893 4.388 1.00 0.00 N ATOM 132 CA ASN A 8 0.684 13.089 4.398 1.00 0.00 C ATOM 133 C ASN A 8 1.389 12.022 3.569 1.00 0.00 C ATOM 134 O ASN A 8 1.414 10.849 3.941 1.00 0.00 O ATOM 135 CB ASN A 8 1.232 13.102 5.814 1.00 0.00 C ATOM 136 CG ASN A 8 2.693 13.445 5.893 1.00 0.00 C ATOM 137 OD1 ASN A 8 3.427 13.357 4.902 1.00 0.00 O ATOM 138 ND2 ASN A 8 3.136 13.757 7.084 1.00 0.00 N ATOM 0 H ASN A 8 -1.121 12.368 5.185 1.00 0.00 H new ATOM 0 HA ASN A 8 0.881 14.062 3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.666 13.821 6.406 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.073 12.122 6.265 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.129 13.941 7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.488 13.817 7.870 1.00 0.00 H new ATOM 145 N LEU A 9 1.963 12.438 2.446 1.00 0.00 N ATOM 146 CA LEU A 9 2.592 11.506 1.517 1.00 0.00 C ATOM 147 C LEU A 9 3.605 10.618 2.229 1.00 0.00 C ATOM 148 O LEU A 9 3.738 9.436 1.915 1.00 0.00 O ATOM 149 CB LEU A 9 3.266 12.273 0.372 1.00 0.00 C ATOM 150 CG LEU A 9 3.915 11.396 -0.707 1.00 0.00 C ATOM 151 CD1 LEU A 9 2.866 10.503 -1.355 1.00 0.00 C ATOM 152 CD2 LEU A 9 4.585 12.283 -1.746 1.00 0.00 C ATOM 0 H LEU A 9 2.006 13.415 2.156 1.00 0.00 H new ATOM 0 HA LEU A 9 1.815 10.863 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.523 12.914 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.029 12.927 0.794 1.00 0.00 H new ATOM 0 HG LEU A 9 4.671 10.757 -0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.337 9.885 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.415 9.863 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.094 11.122 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.046 11.661 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.840 12.932 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.350 12.893 -1.265 1.00 0.00 H new ATOM 164 N LYS A 10 4.319 11.197 3.188 1.00 0.00 N ATOM 165 CA LYS A 10 5.340 10.466 3.930 1.00 0.00 C ATOM 166 C LYS A 10 4.741 9.273 4.664 1.00 0.00 C ATOM 167 O LYS A 10 5.135 8.130 4.436 1.00 0.00 O ATOM 168 CB LYS A 10 6.048 11.393 4.921 1.00 0.00 C ATOM 169 CG LYS A 10 7.124 10.713 5.758 1.00 0.00 C ATOM 170 CD LYS A 10 7.815 11.704 6.683 1.00 0.00 C ATOM 171 CE LYS A 10 8.960 11.050 7.441 1.00 0.00 C ATOM 172 NZ LYS A 10 8.468 10.151 8.522 1.00 0.00 N ATOM 0 H LYS A 10 4.210 12.171 3.470 1.00 0.00 H new ATOM 0 HA LYS A 10 6.070 10.091 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.500 12.217 4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.304 11.827 5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.677 9.913 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.861 10.251 5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.195 12.544 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.092 12.108 7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.576 10.479 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.598 11.822 7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.221 10.008 9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.642 10.582 8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.197 9.234 8.114 1.00 0.00 H new ATOM 186 N GLN A 11 3.786 9.547 5.546 1.00 0.00 N ATOM 187 CA GLN A 11 3.135 8.498 6.321 1.00 0.00 C ATOM 188 C GLN A 11 2.341 7.561 5.420 1.00 0.00 C ATOM 189 O GLN A 11 2.190 6.376 5.719 1.00 0.00 O ATOM 190 CB GLN A 11 2.209 9.108 7.377 1.00 0.00 C ATOM 191 CG GLN A 11 2.934 9.807 8.512 1.00 0.00 C ATOM 192 CD GLN A 11 1.981 10.454 9.498 1.00 0.00 C ATOM 193 OE1 GLN A 11 0.760 10.417 9.319 1.00 0.00 O ATOM 194 NE2 GLN A 11 2.533 11.057 10.546 1.00 0.00 N ATOM 0 H GLN A 11 3.445 10.488 5.742 1.00 0.00 H new ATOM 0 HA GLN A 11 3.915 7.921 6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.544 9.822 6.892 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.582 8.320 7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.561 9.086 9.037 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.598 10.567 8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.547 11.064 10.655 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.942 11.513 11.241 1.00 0.00 H new ATOM 203 N ALA A 12 1.834 8.097 4.315 1.00 0.00 N ATOM 204 CA ALA A 12 1.087 7.301 3.349 1.00 0.00 C ATOM 205 C ALA A 12 1.969 6.232 2.717 1.00 0.00 C ATOM 206 O ALA A 12 1.547 5.087 2.547 1.00 0.00 O ATOM 207 CB ALA A 12 0.484 8.197 2.278 1.00 0.00 C ATOM 0 H ALA A 12 1.927 9.082 4.066 1.00 0.00 H new ATOM 0 HA ALA A 12 0.279 6.797 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.071 7.588 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.191 8.916 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.280 8.730 1.759 1.00 0.00 H new ATOM 213 N LYS A 13 3.193 6.611 2.370 1.00 0.00 N ATOM 214 CA LYS A 13 4.166 5.667 1.834 1.00 0.00 C ATOM 215 C LYS A 13 4.589 4.654 2.890 1.00 0.00 C ATOM 216 O LYS A 13 4.750 3.468 2.599 1.00 0.00 O ATOM 217 CB LYS A 13 5.390 6.406 1.293 1.00 0.00 C ATOM 218 CG LYS A 13 5.143 7.164 -0.004 1.00 0.00 C ATOM 219 CD LYS A 13 6.415 7.836 -0.503 1.00 0.00 C ATOM 220 CE LYS A 13 6.189 8.527 -1.840 1.00 0.00 C ATOM 221 NZ LYS A 13 7.421 9.202 -2.331 1.00 0.00 N ATOM 0 H LYS A 13 3.536 7.568 2.451 1.00 0.00 H new ATOM 0 HA LYS A 13 3.690 5.127 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.739 7.109 2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.192 5.686 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.770 6.477 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.370 7.916 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.756 8.565 0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.205 7.092 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.859 7.794 -2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.389 9.260 -1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.197 9.758 -3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.789 9.833 -1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.139 8.487 -2.565 1.00 0.00 H new ATOM 235 N GLU A 14 4.770 5.129 4.119 1.00 0.00 N ATOM 236 CA GLU A 14 5.224 4.274 5.210 1.00 0.00 C ATOM 237 C GLU A 14 4.244 3.135 5.463 1.00 0.00 C ATOM 238 O GLU A 14 4.644 1.979 5.604 1.00 0.00 O ATOM 239 CB GLU A 14 5.416 5.096 6.488 1.00 0.00 C ATOM 240 CG GLU A 14 6.629 6.015 6.467 1.00 0.00 C ATOM 241 CD GLU A 14 6.659 6.907 7.676 1.00 0.00 C ATOM 242 OE1 GLU A 14 5.732 6.856 8.451 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.656 7.556 7.887 1.00 0.00 O ATOM 0 H GLU A 14 4.609 6.101 4.384 1.00 0.00 H new ATOM 0 HA GLU A 14 6.181 3.841 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.523 5.697 6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.506 4.415 7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.540 5.418 6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.611 6.624 5.563 1.00 0.00 H new ATOM 250 N GLU A 15 2.958 3.468 5.519 1.00 0.00 N ATOM 251 CA GLU A 15 1.923 2.481 5.793 1.00 0.00 C ATOM 252 C GLU A 15 1.673 1.592 4.582 1.00 0.00 C ATOM 253 O GLU A 15 1.390 0.403 4.720 1.00 0.00 O ATOM 254 CB GLU A 15 0.624 3.171 6.215 1.00 0.00 C ATOM 255 CG GLU A 15 0.692 3.867 7.567 1.00 0.00 C ATOM 256 CD GLU A 15 1.062 2.904 8.661 1.00 0.00 C ATOM 257 OE1 GLU A 15 0.439 1.874 8.753 1.00 0.00 O ATOM 258 OE2 GLU A 15 2.038 3.144 9.331 1.00 0.00 O ATOM 0 H GLU A 15 2.609 4.416 5.378 1.00 0.00 H new ATOM 0 HA GLU A 15 2.272 1.851 6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.353 3.905 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.175 2.430 6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.424 4.673 7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.272 4.323 7.792 1.00 0.00 H new ATOM 265 N ALA A 16 1.782 2.176 3.393 1.00 0.00 N ATOM 266 CA ALA A 16 1.642 1.423 2.153 1.00 0.00 C ATOM 267 C ALA A 16 2.764 0.406 1.997 1.00 0.00 C ATOM 268 O ALA A 16 2.556 -0.688 1.471 1.00 0.00 O ATOM 269 CB ALA A 16 1.609 2.367 0.960 1.00 0.00 C ATOM 0 H ALA A 16 1.967 3.171 3.263 1.00 0.00 H new ATOM 0 HA ALA A 16 0.699 0.878 2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.504 1.789 0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.764 3.048 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.535 2.940 0.924 1.00 0.00 H new ATOM 275 N ILE A 17 3.956 0.771 2.458 1.00 0.00 N ATOM 276 CA ILE A 17 5.079 -0.157 2.500 1.00 0.00 C ATOM 277 C ILE A 17 4.777 -1.347 3.402 1.00 0.00 C ATOM 278 O ILE A 17 5.057 -2.493 3.049 1.00 0.00 O ATOM 279 CB ILE A 17 6.366 0.533 2.991 1.00 0.00 C ATOM 280 CG1 ILE A 17 6.896 1.494 1.924 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.419 -0.500 3.353 1.00 0.00 C ATOM 282 CD1 ILE A 17 7.939 2.461 2.437 1.00 0.00 C ATOM 0 H ILE A 17 4.169 1.705 2.808 1.00 0.00 H new ATOM 0 HA ILE A 17 5.233 -0.508 1.480 1.00 0.00 H new ATOM 0 HB ILE A 17 6.131 1.109 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.323 0.914 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.061 2.060 1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.321 0.005 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.039 -1.145 4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.654 -1.103 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.266 3.109 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.511 3.068 3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.793 1.904 2.823 1.00 0.00 H new ATOM 294 N LYS A 18 4.204 -1.069 4.567 1.00 0.00 N ATOM 295 CA LYS A 18 3.827 -2.119 5.505 1.00 0.00 C ATOM 296 C LYS A 18 2.826 -3.082 4.881 1.00 0.00 C ATOM 297 O LYS A 18 2.903 -4.294 5.087 1.00 0.00 O ATOM 298 CB LYS A 18 3.247 -1.513 6.784 1.00 0.00 C ATOM 299 CG LYS A 18 4.260 -0.774 7.648 1.00 0.00 C ATOM 300 CD LYS A 18 3.595 -0.133 8.856 1.00 0.00 C ATOM 301 CE LYS A 18 4.589 0.688 9.665 1.00 0.00 C ATOM 302 NZ LYS A 18 3.927 1.427 10.774 1.00 0.00 N ATOM 0 H LYS A 18 3.990 -0.124 4.885 1.00 0.00 H new ATOM 0 HA LYS A 18 4.727 -2.679 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.447 -0.824 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.796 -2.309 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.032 -1.468 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.756 -0.007 7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.776 0.506 8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.161 -0.908 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.355 0.030 10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.095 1.396 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.638 1.973 11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.213 2.074 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.466 0.750 11.415 1.00 0.00 H new ATOM 316 N GLU A 19 1.886 -2.537 4.116 1.00 0.00 N ATOM 317 CA GLU A 19 0.870 -3.347 3.456 1.00 0.00 C ATOM 318 C GLU A 19 1.470 -4.164 2.319 1.00 0.00 C ATOM 319 O GLU A 19 1.121 -5.329 2.126 1.00 0.00 O ATOM 320 CB GLU A 19 -0.262 -2.462 2.928 1.00 0.00 C ATOM 321 CG GLU A 19 -1.135 -1.846 4.011 1.00 0.00 C ATOM 322 CD GLU A 19 -2.141 -0.895 3.427 1.00 0.00 C ATOM 323 OE1 GLU A 19 -2.074 -0.639 2.248 1.00 0.00 O ATOM 324 OE2 GLU A 19 -3.045 -0.510 4.130 1.00 0.00 O ATOM 0 H GLU A 19 1.807 -1.536 3.938 1.00 0.00 H new ATOM 0 HA GLU A 19 0.463 -4.038 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.169 -1.662 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.891 -3.055 2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.652 -2.635 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.508 -1.319 4.730 1.00 0.00 H new ATOM 331 N LEU A 20 2.375 -3.545 1.566 1.00 0.00 N ATOM 332 CA LEU A 20 3.034 -4.217 0.454 1.00 0.00 C ATOM 333 C LEU A 20 3.906 -5.367 0.942 1.00 0.00 C ATOM 334 O LEU A 20 3.898 -6.454 0.365 1.00 0.00 O ATOM 335 CB LEU A 20 3.873 -3.216 -0.349 1.00 0.00 C ATOM 336 CG LEU A 20 3.071 -2.242 -1.222 1.00 0.00 C ATOM 337 CD1 LEU A 20 3.964 -1.104 -1.692 1.00 0.00 C ATOM 338 CD2 LEU A 20 2.481 -2.990 -2.408 1.00 0.00 C ATOM 0 H LEU A 20 2.668 -2.578 1.707 1.00 0.00 H new ATOM 0 HA LEU A 20 2.262 -4.633 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.483 -2.638 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.558 -3.772 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 20 2.257 -1.815 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.385 -0.419 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.357 -0.569 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.792 -1.508 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.911 -2.298 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.286 -3.428 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.823 -3.781 -2.048 1.00 0.00 H new ATOM 350 N VAL A 21 4.656 -5.121 2.011 1.00 0.00 N ATOM 351 CA VAL A 21 5.489 -6.153 2.616 1.00 0.00 C ATOM 352 C VAL A 21 4.641 -7.308 3.136 1.00 0.00 C ATOM 353 O VAL A 21 4.953 -8.476 2.897 1.00 0.00 O ATOM 354 CB VAL A 21 6.334 -5.591 3.774 1.00 0.00 C ATOM 355 CG1 VAL A 21 6.990 -6.720 4.554 1.00 0.00 C ATOM 356 CG2 VAL A 21 7.386 -4.628 3.246 1.00 0.00 C ATOM 0 H VAL A 21 4.704 -4.215 2.476 1.00 0.00 H new ATOM 0 HA VAL A 21 6.156 -6.516 1.834 1.00 0.00 H new ATOM 0 HB VAL A 21 5.674 -5.046 4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.583 -6.303 5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.220 -7.374 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.637 -7.293 3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.974 -4.240 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.042 -5.151 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.897 -3.801 2.731 1.00 0.00 H new ATOM 366 N ASP A 22 3.569 -6.977 3.847 1.00 0.00 N ATOM 367 CA ASP A 22 2.658 -7.986 4.376 1.00 0.00 C ATOM 368 C ASP A 22 1.999 -8.775 3.253 1.00 0.00 C ATOM 369 O ASP A 22 1.714 -9.964 3.401 1.00 0.00 O ATOM 370 CB ASP A 22 1.591 -7.335 5.258 1.00 0.00 C ATOM 371 CG ASP A 22 2.097 -6.866 6.616 1.00 0.00 C ATOM 372 OD1 ASP A 22 3.189 -7.232 6.980 1.00 0.00 O ATOM 373 OD2 ASP A 22 1.462 -6.026 7.206 1.00 0.00 O ATOM 0 H ASP A 22 3.309 -6.016 4.071 1.00 0.00 H new ATOM 0 HA ASP A 22 3.243 -8.679 4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.169 -6.482 4.727 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.780 -8.047 5.412 1.00 0.00 H new ATOM 378 N ALA A 23 1.757 -8.108 2.129 1.00 0.00 N ATOM 379 CA ALA A 23 1.191 -8.763 0.956 1.00 0.00 C ATOM 380 C ALA A 23 2.173 -9.761 0.356 1.00 0.00 C ATOM 381 O ALA A 23 1.772 -10.738 -0.278 1.00 0.00 O ATOM 382 CB ALA A 23 0.783 -7.729 -0.083 1.00 0.00 C ATOM 0 H ALA A 23 1.944 -7.113 2.006 1.00 0.00 H new ATOM 0 HA ALA A 23 0.304 -9.312 1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.362 -8.234 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.037 -7.059 0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.657 -7.153 -0.386 1.00 0.00 H new ATOM 388 N GLY A 24 3.463 -9.512 0.560 1.00 0.00 N ATOM 389 CA GLY A 24 4.507 -10.352 -0.014 1.00 0.00 C ATOM 390 C GLY A 24 5.040 -9.758 -1.312 1.00 0.00 C ATOM 391 O GLY A 24 5.612 -10.466 -2.141 1.00 0.00 O ATOM 0 H GLY A 24 3.810 -8.733 1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.323 -10.462 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.112 -11.350 -0.203 1.00 0.00 H new ATOM 395 N ILE A 25 4.846 -8.456 -1.483 1.00 0.00 N ATOM 396 CA ILE A 25 5.228 -7.779 -2.718 1.00 0.00 C ATOM 397 C ILE A 25 6.586 -7.100 -2.577 1.00 0.00 C ATOM 398 O ILE A 25 6.666 -5.914 -2.260 1.00 0.00 O ATOM 399 CB ILE A 25 4.181 -6.731 -3.137 1.00 0.00 C ATOM 400 CG1 ILE A 25 2.807 -7.384 -3.293 1.00 0.00 C ATOM 401 CG2 ILE A 25 4.601 -6.047 -4.428 1.00 0.00 C ATOM 402 CD1 ILE A 25 1.670 -6.393 -3.411 1.00 0.00 C ATOM 0 H ILE A 25 4.426 -7.846 -0.781 1.00 0.00 H new ATOM 0 HA ILE A 25 5.287 -8.546 -3.490 1.00 0.00 H new ATOM 0 HB ILE A 25 4.114 -5.974 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.816 -8.020 -4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.624 -8.033 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.850 -5.309 -4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.560 -5.550 -4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.695 -6.790 -5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.728 -6.931 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.633 -5.773 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.828 -5.760 -4.284 1.00 0.00 H new ATOM 414 N ALA A 26 7.649 -7.860 -2.813 1.00 0.00 N ATOM 415 CA ALA A 26 9.002 -7.388 -2.544 1.00 0.00 C ATOM 416 C ALA A 26 9.367 -6.220 -3.451 1.00 0.00 C ATOM 417 O ALA A 26 10.129 -5.335 -3.062 1.00 0.00 O ATOM 418 CB ALA A 26 10.002 -8.525 -2.710 1.00 0.00 C ATOM 0 H ALA A 26 7.600 -8.806 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 26 9.039 -7.036 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.008 -8.158 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.760 -9.327 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.955 -8.905 -3.730 1.00 0.00 H new ATOM 424 N GLU A 27 8.820 -6.223 -4.662 1.00 0.00 N ATOM 425 CA GLU A 27 9.226 -5.271 -5.689 1.00 0.00 C ATOM 426 C GLU A 27 8.754 -3.863 -5.351 1.00 0.00 C ATOM 427 O GLU A 27 9.533 -2.910 -5.392 1.00 0.00 O ATOM 428 CB GLU A 27 8.684 -5.695 -7.056 1.00 0.00 C ATOM 429 CG GLU A 27 9.082 -4.775 -8.203 1.00 0.00 C ATOM 430 CD GLU A 27 8.525 -5.261 -9.511 1.00 0.00 C ATOM 431 OE1 GLU A 27 7.872 -6.277 -9.516 1.00 0.00 O ATOM 432 OE2 GLU A 27 8.657 -4.560 -10.486 1.00 0.00 O ATOM 0 H GLU A 27 8.093 -6.875 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 27 10.315 -5.265 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.036 -6.703 -7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.596 -5.741 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.721 -3.766 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.169 -4.719 -8.267 1.00 0.00 H new ATOM 439 N LYS A 28 7.473 -3.738 -5.019 1.00 0.00 N ATOM 440 CA LYS A 28 6.799 -2.445 -5.047 1.00 0.00 C ATOM 441 C LYS A 28 7.079 -1.650 -3.779 1.00 0.00 C ATOM 442 O LYS A 28 7.142 -0.420 -3.807 1.00 0.00 O ATOM 443 CB LYS A 28 5.292 -2.633 -5.228 1.00 0.00 C ATOM 444 CG LYS A 28 4.887 -3.222 -6.573 1.00 0.00 C ATOM 445 CD LYS A 28 3.376 -3.343 -6.693 1.00 0.00 C ATOM 446 CE LYS A 28 2.965 -3.824 -8.076 1.00 0.00 C ATOM 447 NZ LYS A 28 1.486 -3.893 -8.226 1.00 0.00 N ATOM 0 H LYS A 28 6.881 -4.516 -4.728 1.00 0.00 H new ATOM 0 HA LYS A 28 7.191 -1.882 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.922 -3.282 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.801 -1.668 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.268 -2.593 -7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.343 -4.205 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.004 -4.037 -5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.915 -2.376 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.375 -3.152 -8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.394 -4.809 -8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.250 -4.305 -9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.088 -4.487 -7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.085 -2.935 -8.161 1.00 0.00 H new ATOM 461 N TYR A 29 7.246 -2.358 -2.667 1.00 0.00 N ATOM 462 CA TYR A 29 7.417 -1.716 -1.369 1.00 0.00 C ATOM 463 C TYR A 29 8.730 -0.947 -1.303 1.00 0.00 C ATOM 464 O TYR A 29 8.877 -0.021 -0.505 1.00 0.00 O ATOM 465 CB TYR A 29 7.361 -2.755 -0.248 1.00 0.00 C ATOM 466 CG TYR A 29 8.712 -3.319 0.134 1.00 0.00 C ATOM 467 CD1 TYR A 29 9.587 -2.596 0.932 1.00 0.00 C ATOM 468 CD2 TYR A 29 9.107 -4.575 -0.303 1.00 0.00 C ATOM 469 CE1 TYR A 29 10.823 -3.106 1.281 1.00 0.00 C ATOM 470 CE2 TYR A 29 10.340 -5.095 0.042 1.00 0.00 C ATOM 471 CZ TYR A 29 11.195 -4.358 0.833 1.00 0.00 C ATOM 472 OH TYR A 29 12.423 -4.873 1.181 1.00 0.00 O ATOM 0 H TYR A 29 7.267 -3.377 -2.639 1.00 0.00 H new ATOM 0 HA TYR A 29 6.600 -1.007 -1.238 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.906 -2.301 0.632 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.711 -3.573 -0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.297 -1.618 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.440 -5.156 -0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 29 11.494 -2.529 1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.632 -6.074 -0.307 1.00 0.00 H new ATOM 0 HH TYR A 29 12.528 -5.763 0.785 1.00 0.00 H new ATOM 482 N PHE A 30 9.680 -1.335 -2.145 1.00 0.00 N ATOM 483 CA PHE A 30 10.995 -0.707 -2.158 1.00 0.00 C ATOM 484 C PHE A 30 11.082 0.371 -3.231 1.00 0.00 C ATOM 485 O PHE A 30 11.568 1.474 -2.981 1.00 0.00 O ATOM 486 CB PHE A 30 12.086 -1.757 -2.378 1.00 0.00 C ATOM 487 CG PHE A 30 13.479 -1.194 -2.370 1.00 0.00 C ATOM 488 CD1 PHE A 30 14.080 -0.808 -1.180 1.00 0.00 C ATOM 489 CD2 PHE A 30 14.193 -1.049 -3.550 1.00 0.00 C ATOM 490 CE1 PHE A 30 15.362 -0.290 -1.172 1.00 0.00 C ATOM 491 CE2 PHE A 30 15.474 -0.533 -3.544 1.00 0.00 C ATOM 492 CZ PHE A 30 16.058 -0.153 -2.353 1.00 0.00 C ATOM 0 H PHE A 30 9.564 -2.083 -2.829 1.00 0.00 H new ATOM 0 HA PHE A 30 11.148 -0.234 -1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.007 -2.518 -1.601 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.911 -2.255 -3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.541 -0.913 -0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.741 -1.343 -4.486 1.00 0.00 H new ATOM 0 HE1 PHE A 30 15.818 0.007 -0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 30 16.018 -0.427 -4.471 1.00 0.00 H new ATOM 0 HZ PHE A 30 17.059 0.251 -2.347 1.00 0.00 H new ATOM 502 N LYS A 31 10.607 0.045 -4.429 1.00 0.00 N ATOM 503 CA LYS A 31 10.753 0.933 -5.578 1.00 0.00 C ATOM 504 C LYS A 31 9.495 1.761 -5.796 1.00 0.00 C ATOM 505 O LYS A 31 9.531 2.990 -5.729 1.00 0.00 O ATOM 506 CB LYS A 31 11.076 0.127 -6.837 1.00 0.00 C ATOM 507 CG LYS A 31 12.361 -0.687 -6.750 1.00 0.00 C ATOM 508 CD LYS A 31 12.677 -1.366 -8.076 1.00 0.00 C ATOM 509 CE LYS A 31 13.931 -2.219 -7.975 1.00 0.00 C ATOM 510 NZ LYS A 31 14.237 -2.912 -9.257 1.00 0.00 N ATOM 0 H LYS A 31 10.118 -0.827 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 31 11.578 1.615 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.246 -0.548 -7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.150 0.811 -7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.188 -0.036 -6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.265 -1.440 -5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.835 -1.988 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.810 -0.611 -8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.775 -1.591 -7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.804 -2.958 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.099 -3.483 -9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.442 -3.531 -9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.383 -2.206 -10.007 1.00 0.00 H new ATOM 524 N LEU A 32 8.382 1.084 -6.056 1.00 0.00 N ATOM 525 CA LEU A 32 7.185 1.742 -6.565 1.00 0.00 C ATOM 526 C LEU A 32 6.662 2.776 -5.578 1.00 0.00 C ATOM 527 O LEU A 32 6.575 3.963 -5.894 1.00 0.00 O ATOM 528 CB LEU A 32 6.099 0.702 -6.874 1.00 0.00 C ATOM 529 CG LEU A 32 4.780 1.275 -7.406 1.00 0.00 C ATOM 530 CD1 LEU A 32 5.007 1.942 -8.756 1.00 0.00 C ATOM 531 CD2 LEU A 32 3.751 0.160 -7.521 1.00 0.00 C ATOM 0 H LEU A 32 8.284 0.078 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 32 7.451 2.262 -7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.492 -0.004 -7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.891 0.136 -5.966 1.00 0.00 H new ATOM 0 HG LEU A 32 4.405 2.028 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.064 2.346 -9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.730 2.751 -8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.390 1.208 -9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.814 0.568 -7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.117 -0.604 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.584 -0.284 -6.539 1.00 0.00 H new ATOM 543 N ILE A 33 6.316 2.321 -4.378 1.00 0.00 N ATOM 544 CA ILE A 33 5.664 3.175 -3.393 1.00 0.00 C ATOM 545 C ILE A 33 6.577 4.317 -2.965 1.00 0.00 C ATOM 546 O ILE A 33 6.108 5.397 -2.608 1.00 0.00 O ATOM 547 CB ILE A 33 5.238 2.377 -2.148 1.00 0.00 C ATOM 548 CG1 ILE A 33 4.435 3.265 -1.193 1.00 0.00 C ATOM 549 CG2 ILE A 33 6.455 1.797 -1.444 1.00 0.00 C ATOM 550 CD1 ILE A 33 3.139 3.776 -1.778 1.00 0.00 C ATOM 0 H ILE A 33 6.477 1.364 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 33 4.775 3.585 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 33 4.602 1.552 -2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.216 2.702 -0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.050 4.115 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.135 1.236 -0.566 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.987 1.133 -2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.117 2.606 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.628 4.397 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.350 4.368 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.503 2.932 -2.046 1.00 0.00 H new ATOM 562 N ALA A 34 7.882 4.071 -3.002 1.00 0.00 N ATOM 563 CA ALA A 34 8.863 5.072 -2.601 1.00 0.00 C ATOM 564 C ALA A 34 8.936 6.208 -3.615 1.00 0.00 C ATOM 565 O ALA A 34 9.314 7.330 -3.276 1.00 0.00 O ATOM 566 CB ALA A 34 10.230 4.431 -2.417 1.00 0.00 C ATOM 0 H ALA A 34 8.285 3.185 -3.306 1.00 0.00 H new ATOM 0 HA ALA A 34 8.545 5.494 -1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.951 5.192 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.171 3.663 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.549 3.978 -3.356 1.00 0.00 H new ATOM 572 N ASN A 35 8.573 5.910 -4.857 1.00 0.00 N ATOM 573 CA ASN A 35 8.716 6.866 -5.947 1.00 0.00 C ATOM 574 C ASN A 35 7.381 7.511 -6.295 1.00 0.00 C ATOM 575 O ASN A 35 7.267 8.230 -7.287 1.00 0.00 O ATOM 576 CB ASN A 35 9.323 6.218 -7.178 1.00 0.00 C ATOM 577 CG ASN A 35 10.768 5.841 -7.014 1.00 0.00 C ATOM 578 OD1 ASN A 35 11.506 6.455 -6.236 1.00 0.00 O ATOM 579 ND2 ASN A 35 11.197 4.888 -7.803 1.00 0.00 N ATOM 0 H ASN A 35 8.177 5.012 -5.134 1.00 0.00 H new ATOM 0 HA ASN A 35 9.395 7.646 -5.603 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.750 5.325 -7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.229 6.902 -8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.182 4.622 -7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.546 4.411 -8.428 1.00 0.00 H new ATOM 586 N ALA A 36 6.372 7.248 -5.472 1.00 0.00 N ATOM 587 CA ALA A 36 5.058 7.855 -5.652 1.00 0.00 C ATOM 588 C ALA A 36 5.116 9.364 -5.449 1.00 0.00 C ATOM 589 O ALA A 36 5.841 9.855 -4.585 1.00 0.00 O ATOM 590 CB ALA A 36 4.049 7.227 -4.703 1.00 0.00 C ATOM 0 H ALA A 36 6.439 6.618 -4.673 1.00 0.00 H new ATOM 0 HA ALA A 36 4.737 7.667 -6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.074 7.691 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.976 6.158 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.373 7.381 -3.674 1.00 0.00 H new ATOM 596 N LYS A 37 4.347 10.093 -6.250 1.00 0.00 N ATOM 597 CA LYS A 37 4.442 11.547 -6.289 1.00 0.00 C ATOM 598 C LYS A 37 3.285 12.195 -5.538 1.00 0.00 C ATOM 599 O LYS A 37 3.304 13.394 -5.264 1.00 0.00 O ATOM 600 CB LYS A 37 4.476 12.045 -7.735 1.00 0.00 C ATOM 601 CG LYS A 37 5.698 11.597 -8.525 1.00 0.00 C ATOM 602 CD LYS A 37 5.666 12.141 -9.946 1.00 0.00 C ATOM 603 CE LYS A 37 6.892 11.702 -10.734 1.00 0.00 C ATOM 604 NZ LYS A 37 6.885 12.245 -12.120 1.00 0.00 N ATOM 0 H LYS A 37 3.650 9.700 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 37 5.371 11.833 -5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.579 11.697 -8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.439 13.134 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.604 11.938 -8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.738 10.508 -8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.764 11.794 -10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.618 13.230 -9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.793 12.034 -10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.929 10.613 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.736 11.923 -12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.038 11.907 -12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.875 13.284 -12.086 1.00 0.00 H new ATOM 618 N THR A 38 2.279 11.393 -5.208 1.00 0.00 N ATOM 619 CA THR A 38 1.092 11.894 -4.526 1.00 0.00 C ATOM 620 C THR A 38 0.348 10.771 -3.815 1.00 0.00 C ATOM 621 O THR A 38 0.558 9.594 -4.105 1.00 0.00 O ATOM 622 CB THR A 38 0.129 12.592 -5.506 1.00 0.00 C ATOM 623 OG1 THR A 38 -0.966 13.164 -4.778 1.00 0.00 O ATOM 624 CG2 THR A 38 -0.407 11.599 -6.525 1.00 0.00 C ATOM 0 H THR A 38 2.262 10.392 -5.402 1.00 0.00 H new ATOM 0 HA THR A 38 1.438 12.620 -3.790 1.00 0.00 H new ATOM 0 HB THR A 38 0.674 13.376 -6.031 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.577 13.609 -5.402 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.085 12.110 -7.209 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.423 11.172 -7.088 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.943 10.802 -6.009 1.00 0.00 H new ATOM 632 N VAL A 39 -0.522 11.142 -2.881 1.00 0.00 N ATOM 633 CA VAL A 39 -1.220 10.166 -2.055 1.00 0.00 C ATOM 634 C VAL A 39 -2.271 9.414 -2.860 1.00 0.00 C ATOM 635 O VAL A 39 -2.703 8.328 -2.474 1.00 0.00 O ATOM 636 CB VAL A 39 -1.897 10.833 -0.843 1.00 0.00 C ATOM 637 CG1 VAL A 39 -0.856 11.446 0.080 1.00 0.00 C ATOM 638 CG2 VAL A 39 -2.888 11.892 -1.302 1.00 0.00 C ATOM 0 H VAL A 39 -0.760 12.113 -2.678 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.468 9.462 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.440 10.067 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.353 11.913 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.182 10.667 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.285 12.199 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.357 12.353 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.365 12.655 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.654 11.429 -1.924 1.00 0.00 H new ATOM 648 N GLU A 40 -2.677 9.997 -3.984 1.00 0.00 N ATOM 649 CA GLU A 40 -3.658 9.368 -4.861 1.00 0.00 C ATOM 650 C GLU A 40 -3.111 8.084 -5.468 1.00 0.00 C ATOM 651 O GLU A 40 -3.819 7.082 -5.569 1.00 0.00 O ATOM 652 CB GLU A 40 -4.081 10.335 -5.969 1.00 0.00 C ATOM 653 CG GLU A 40 -4.918 11.514 -5.491 1.00 0.00 C ATOM 654 CD GLU A 40 -5.202 12.474 -6.612 1.00 0.00 C ATOM 655 OE1 GLU A 40 -4.703 12.260 -7.692 1.00 0.00 O ATOM 656 OE2 GLU A 40 -6.003 13.358 -6.422 1.00 0.00 O ATOM 0 H GLU A 40 -2.342 10.904 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.530 9.115 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.187 10.716 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.648 9.783 -6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.857 11.150 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.393 12.033 -4.689 1.00 0.00 H new ATOM 663 N GLY A 41 -1.845 8.118 -5.872 1.00 0.00 N ATOM 664 CA GLY A 41 -1.178 6.935 -6.403 1.00 0.00 C ATOM 665 C GLY A 41 -0.963 5.890 -5.315 1.00 0.00 C ATOM 666 O GLY A 41 -1.025 4.688 -5.576 1.00 0.00 O ATOM 0 H GLY A 41 -1.260 8.953 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.775 6.508 -7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.218 7.218 -6.834 1.00 0.00 H new ATOM 670 N VAL A 42 -0.711 6.355 -4.096 1.00 0.00 N ATOM 671 CA VAL A 42 -0.543 5.462 -2.956 1.00 0.00 C ATOM 672 C VAL A 42 -1.798 4.634 -2.715 1.00 0.00 C ATOM 673 O VAL A 42 -1.725 3.419 -2.526 1.00 0.00 O ATOM 674 CB VAL A 42 -0.201 6.243 -1.673 1.00 0.00 C ATOM 675 CG1 VAL A 42 -0.219 5.316 -0.466 1.00 0.00 C ATOM 676 CG2 VAL A 42 1.155 6.918 -1.805 1.00 0.00 C ATOM 0 H VAL A 42 -0.619 7.346 -3.872 1.00 0.00 H new ATOM 0 HA VAL A 42 0.286 4.797 -3.198 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.957 7.015 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.025 5.883 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.211 4.876 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.516 4.523 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.380 7.465 -0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.922 6.163 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.136 7.611 -2.646 1.00 0.00 H new ATOM 686 N TRP A 43 -2.950 5.297 -2.725 1.00 0.00 N ATOM 687 CA TRP A 43 -4.225 4.620 -2.526 1.00 0.00 C ATOM 688 C TRP A 43 -4.510 3.640 -3.657 1.00 0.00 C ATOM 689 O TRP A 43 -5.084 2.574 -3.438 1.00 0.00 O ATOM 690 CB TRP A 43 -5.360 5.641 -2.418 1.00 0.00 C ATOM 691 CG TRP A 43 -6.627 5.071 -1.856 1.00 0.00 C ATOM 692 CD1 TRP A 43 -7.790 4.848 -2.530 1.00 0.00 C ATOM 693 CD2 TRP A 43 -6.857 4.651 -0.505 1.00 0.00 C ATOM 694 NE1 TRP A 43 -8.733 4.318 -1.683 1.00 0.00 N ATOM 695 CE2 TRP A 43 -8.182 4.185 -0.434 1.00 0.00 C ATOM 696 CE3 TRP A 43 -6.068 4.623 0.651 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -8.736 3.701 0.741 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -6.623 4.137 1.829 1.00 0.00 C ATOM 699 CH2 TRP A 43 -7.919 3.688 1.871 1.00 0.00 C ATOM 0 H TRP A 43 -3.026 6.304 -2.869 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.163 4.057 -1.595 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.034 6.470 -1.789 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.563 6.052 -3.407 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.948 5.057 -3.578 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.687 4.065 -1.941 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -5.046 4.973 0.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -9.756 3.349 0.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -6.024 4.112 2.727 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.317 3.315 2.803 1.00 0.00 H new ATOM 710 N THR A 44 -4.107 4.008 -4.869 1.00 0.00 N ATOM 711 CA THR A 44 -4.218 3.117 -6.017 1.00 0.00 C ATOM 712 C THR A 44 -3.396 1.850 -5.814 1.00 0.00 C ATOM 713 O THR A 44 -3.834 0.752 -6.156 1.00 0.00 O ATOM 714 CB THR A 44 -3.763 3.809 -7.315 1.00 0.00 C ATOM 715 OG1 THR A 44 -4.618 4.926 -7.590 1.00 0.00 O ATOM 716 CG2 THR A 44 -3.815 2.837 -8.484 1.00 0.00 C ATOM 0 H THR A 44 -3.700 4.919 -5.081 1.00 0.00 H new ATOM 0 HA THR A 44 -5.271 2.852 -6.107 1.00 0.00 H new ATOM 0 HB THR A 44 -2.736 4.152 -7.185 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.412 5.656 -6.970 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.490 3.343 -9.393 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.156 1.992 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.836 2.478 -8.614 1.00 0.00 H new ATOM 724 N TYR A 45 -2.202 2.010 -5.253 1.00 0.00 N ATOM 725 CA TYR A 45 -1.323 0.877 -4.987 1.00 0.00 C ATOM 726 C TYR A 45 -1.918 -0.048 -3.934 1.00 0.00 C ATOM 727 O TYR A 45 -1.700 -1.259 -3.962 1.00 0.00 O ATOM 728 CB TYR A 45 0.057 1.364 -4.540 1.00 0.00 C ATOM 729 CG TYR A 45 0.767 2.221 -5.565 1.00 0.00 C ATOM 730 CD1 TYR A 45 0.328 2.269 -6.880 1.00 0.00 C ATOM 731 CD2 TYR A 45 1.876 2.978 -5.215 1.00 0.00 C ATOM 732 CE1 TYR A 45 0.973 3.049 -7.820 1.00 0.00 C ATOM 733 CE2 TYR A 45 2.528 3.762 -6.147 1.00 0.00 C ATOM 734 CZ TYR A 45 2.074 3.794 -7.449 1.00 0.00 C ATOM 735 OH TYR A 45 2.719 4.574 -8.381 1.00 0.00 O ATOM 0 H TYR A 45 -1.821 2.914 -4.974 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.217 0.313 -5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.051 1.934 -3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.680 0.499 -4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.533 1.687 -7.174 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.235 2.954 -4.197 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.618 3.076 -8.840 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.389 4.347 -5.858 1.00 0.00 H new ATOM 0 HH TYR A 45 3.473 5.035 -7.957 1.00 0.00 H new ATOM 745 N LYS A 46 -2.668 0.531 -3.003 1.00 0.00 N ATOM 746 CA LYS A 46 -3.425 -0.253 -2.032 1.00 0.00 C ATOM 747 C LYS A 46 -4.492 -1.096 -2.718 1.00 0.00 C ATOM 748 O LYS A 46 -4.720 -2.247 -2.347 1.00 0.00 O ATOM 749 CB LYS A 46 -4.068 0.664 -0.990 1.00 0.00 C ATOM 750 CG LYS A 46 -4.865 -0.067 0.083 1.00 0.00 C ATOM 751 CD LYS A 46 -5.320 0.884 1.180 1.00 0.00 C ATOM 752 CE LYS A 46 -6.244 0.190 2.168 1.00 0.00 C ATOM 753 NZ LYS A 46 -5.598 -0.995 2.796 1.00 0.00 N ATOM 0 H LYS A 46 -2.769 1.541 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.730 -0.926 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.286 1.251 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.727 1.367 -1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.734 -0.546 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.254 -0.859 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.450 1.277 1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.834 1.736 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.541 0.895 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.154 -0.122 1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.205 -1.358 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.461 -1.736 2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.676 -0.720 3.190 1.00 0.00 H new ATOM 767 N ASP A 47 -5.144 -0.516 -3.721 1.00 0.00 N ATOM 768 CA ASP A 47 -6.099 -1.251 -4.541 1.00 0.00 C ATOM 769 C ASP A 47 -5.413 -2.371 -5.314 1.00 0.00 C ATOM 770 O ASP A 47 -5.992 -3.436 -5.528 1.00 0.00 O ATOM 771 CB ASP A 47 -6.815 -0.308 -5.508 1.00 0.00 C ATOM 772 CG ASP A 47 -7.841 0.606 -4.850 1.00 0.00 C ATOM 773 OD1 ASP A 47 -8.178 0.368 -3.715 1.00 0.00 O ATOM 774 OD2 ASP A 47 -8.160 1.619 -5.426 1.00 0.00 O ATOM 0 H ASP A 47 -5.028 0.462 -3.985 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.836 -1.698 -3.873 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.071 0.306 -6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.314 -0.902 -6.274 1.00 0.00 H new ATOM 779 N GLU A 48 -4.176 -2.123 -5.732 1.00 0.00 N ATOM 780 CA GLU A 48 -3.376 -3.141 -6.403 1.00 0.00 C ATOM 781 C GLU A 48 -3.055 -4.295 -5.462 1.00 0.00 C ATOM 782 O GLU A 48 -2.967 -5.448 -5.887 1.00 0.00 O ATOM 783 CB GLU A 48 -2.083 -2.531 -6.948 1.00 0.00 C ATOM 784 CG GLU A 48 -2.277 -1.615 -8.148 1.00 0.00 C ATOM 785 CD GLU A 48 -0.964 -1.072 -8.639 1.00 0.00 C ATOM 786 OE1 GLU A 48 0.043 -1.383 -8.049 1.00 0.00 O ATOM 787 OE2 GLU A 48 -0.953 -0.437 -9.668 1.00 0.00 O ATOM 0 H GLU A 48 -3.706 -1.225 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.961 -3.532 -7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.597 -1.968 -6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.405 -3.337 -7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.769 -2.164 -8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.935 -0.790 -7.876 1.00 0.00 H new ATOM 794 N ILE A 49 -2.878 -3.980 -4.184 1.00 0.00 N ATOM 795 CA ILE A 49 -2.713 -5.003 -3.158 1.00 0.00 C ATOM 796 C ILE A 49 -3.974 -5.844 -3.010 1.00 0.00 C ATOM 797 O ILE A 49 -3.907 -7.067 -2.898 1.00 0.00 O ATOM 798 CB ILE A 49 -2.357 -4.383 -1.794 1.00 0.00 C ATOM 799 CG1 ILE A 49 -0.972 -3.733 -1.850 1.00 0.00 C ATOM 800 CG2 ILE A 49 -2.410 -5.438 -0.701 1.00 0.00 C ATOM 801 CD1 ILE A 49 -0.657 -2.864 -0.652 1.00 0.00 C ATOM 0 H ILE A 49 -2.845 -3.023 -3.833 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.891 -5.642 -3.481 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.090 -3.611 -1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.217 -4.515 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.901 -3.129 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.156 -4.983 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.415 -5.857 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.697 -6.231 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.340 -2.438 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.389 -2.060 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.695 -3.467 0.255 1.00 0.00 H new ATOM 813 N LYS A 50 -5.125 -5.179 -3.011 1.00 0.00 N ATOM 814 CA LYS A 50 -6.407 -5.867 -2.899 1.00 0.00 C ATOM 815 C LYS A 50 -6.606 -6.848 -4.045 1.00 0.00 C ATOM 816 O LYS A 50 -7.182 -7.920 -3.863 1.00 0.00 O ATOM 817 CB LYS A 50 -7.555 -4.857 -2.864 1.00 0.00 C ATOM 818 CG LYS A 50 -7.614 -4.016 -1.596 1.00 0.00 C ATOM 819 CD LYS A 50 -8.770 -3.026 -1.642 1.00 0.00 C ATOM 820 CE LYS A 50 -8.809 -2.161 -0.391 1.00 0.00 C ATOM 821 NZ LYS A 50 -9.943 -1.197 -0.416 1.00 0.00 N ATOM 0 H LYS A 50 -5.197 -4.164 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.404 -6.430 -1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.464 -4.192 -3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.498 -5.393 -2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.725 -4.668 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.675 -3.477 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.673 -2.391 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.711 -3.567 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.895 -2.799 0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.870 -1.615 -0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.933 -0.627 0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.848 -0.571 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.841 -1.718 -0.478 1.00 0.00 H new ATOM 835 N THR A 51 -6.130 -6.475 -5.227 1.00 0.00 N ATOM 836 CA THR A 51 -6.257 -7.321 -6.408 1.00 0.00 C ATOM 837 C THR A 51 -5.087 -8.289 -6.522 1.00 0.00 C ATOM 838 O THR A 51 -5.180 -9.314 -7.197 1.00 0.00 O ATOM 839 CB THR A 51 -6.345 -6.484 -7.696 1.00 0.00 C ATOM 840 OG1 THR A 51 -5.143 -5.719 -7.856 1.00 0.00 O ATOM 841 CG2 THR A 51 -7.537 -5.540 -7.640 1.00 0.00 C ATOM 0 H THR A 51 -5.651 -5.590 -5.393 1.00 0.00 H new ATOM 0 HA THR A 51 -7.181 -7.887 -6.290 1.00 0.00 H new ATOM 0 HB THR A 51 -6.469 -7.161 -8.542 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.600 -5.788 -7.043 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.583 -4.957 -8.560 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.454 -6.118 -7.531 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.429 -4.868 -6.789 1.00 0.00 H new ATOM 849 N PHE A 52 -3.984 -7.956 -5.858 1.00 0.00 N ATOM 850 CA PHE A 52 -2.829 -8.844 -5.800 1.00 0.00 C ATOM 851 C PHE A 52 -3.172 -10.146 -5.087 1.00 0.00 C ATOM 852 O PHE A 52 -2.920 -11.234 -5.607 1.00 0.00 O ATOM 853 CB PHE A 52 -1.659 -8.153 -5.097 1.00 0.00 C ATOM 854 CG PHE A 52 -0.458 -9.035 -4.908 1.00 0.00 C ATOM 855 CD1 PHE A 52 0.427 -9.260 -5.950 1.00 0.00 C ATOM 856 CD2 PHE A 52 -0.214 -9.643 -3.686 1.00 0.00 C ATOM 857 CE1 PHE A 52 1.532 -10.072 -5.776 1.00 0.00 C ATOM 858 CE2 PHE A 52 0.890 -10.456 -3.508 1.00 0.00 C ATOM 859 CZ PHE A 52 1.763 -10.671 -4.556 1.00 0.00 C ATOM 0 H PHE A 52 -3.866 -7.078 -5.353 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.538 -9.082 -6.823 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.367 -7.276 -5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.993 -7.796 -4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.251 -8.796 -6.909 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.894 -9.480 -2.863 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.215 -10.237 -6.596 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.069 -10.922 -2.551 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.625 -11.307 -4.420 1.00 0.00 H new ATOM 869 N THR A 53 -3.747 -10.030 -3.896 1.00 0.00 N ATOM 870 CA THR A 53 -4.060 -11.196 -3.079 1.00 0.00 C ATOM 871 C THR A 53 -5.120 -12.066 -3.743 1.00 0.00 C ATOM 872 O THR A 53 -5.240 -13.253 -3.442 1.00 0.00 O ATOM 873 CB THR A 53 -4.550 -10.789 -1.677 1.00 0.00 C ATOM 874 OG1 THR A 53 -5.755 -10.020 -1.795 1.00 0.00 O ATOM 875 CG2 THR A 53 -3.494 -9.963 -0.960 1.00 0.00 C ATOM 0 H THR A 53 -4.006 -9.138 -3.474 1.00 0.00 H new ATOM 0 HA THR A 53 -3.136 -11.766 -2.980 1.00 0.00 H new ATOM 0 HB THR A 53 -4.742 -11.693 -1.099 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.067 -9.762 -0.903 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.859 -9.685 0.029 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.581 -10.549 -0.858 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.284 -9.062 -1.536 1.00 0.00 H new ATOM 883 N VAL A 54 -5.885 -11.468 -4.649 1.00 0.00 N ATOM 884 CA VAL A 54 -6.831 -12.218 -5.467 1.00 0.00 C ATOM 885 C VAL A 54 -6.117 -12.993 -6.566 1.00 0.00 C ATOM 886 O VAL A 54 -6.440 -14.150 -6.834 1.00 0.00 O ATOM 887 CB VAL A 54 -7.883 -11.291 -6.108 1.00 0.00 C ATOM 888 CG1 VAL A 54 -8.742 -12.064 -7.096 1.00 0.00 C ATOM 889 CG2 VAL A 54 -8.752 -10.651 -5.035 1.00 0.00 C ATOM 0 H VAL A 54 -5.869 -10.465 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.334 -12.919 -4.801 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.363 -10.500 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.479 -11.394 -7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.110 -12.478 -7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.254 -12.874 -6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.489 -10.000 -5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.264 -11.429 -4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.126 -10.065 -4.362 1.00 0.00 H new ATOM 899 N THR A 55 -5.143 -12.349 -7.201 1.00 0.00 N ATOM 900 CA THR A 55 -4.422 -12.955 -8.315 1.00 0.00 C ATOM 901 C THR A 55 -3.150 -13.642 -7.838 1.00 0.00 C ATOM 902 O THR A 55 -2.397 -14.198 -8.637 1.00 0.00 O ATOM 903 CB THR A 55 -4.060 -11.910 -9.386 1.00 0.00 C ATOM 904 OG1 THR A 55 -3.205 -10.911 -8.814 1.00 0.00 O ATOM 905 CG2 THR A 55 -5.314 -11.248 -9.932 1.00 0.00 C ATOM 0 H THR A 55 -4.834 -11.406 -6.963 1.00 0.00 H new ATOM 0 HA THR A 55 -5.088 -13.697 -8.755 1.00 0.00 H new ATOM 0 HB THR A 55 -3.544 -12.414 -10.203 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.736 -10.309 -8.251 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.038 -10.513 -10.688 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.959 -12.004 -10.380 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.846 -10.752 -9.120 1.00 0.00 H new ATOM 913 N GLU A 56 -2.913 -13.600 -6.531 1.00 0.00 N ATOM 914 CA GLU A 56 -1.730 -14.219 -5.945 1.00 0.00 C ATOM 915 C GLU A 56 -1.784 -15.736 -6.070 1.00 0.00 C ATOM 916 O GLU A 56 -1.487 -16.264 -7.107 1.00 0.00 O ATOM 917 CB GLU A 56 -1.588 -13.817 -4.475 1.00 0.00 C ATOM 918 CG GLU A 56 -0.322 -14.334 -3.803 1.00 0.00 C ATOM 919 CD GLU A 56 -0.226 -13.856 -2.381 1.00 0.00 C ATOM 920 OE1 GLU A 56 -1.104 -13.146 -1.952 1.00 0.00 O ATOM 921 OE2 GLU A 56 0.664 -14.289 -1.688 1.00 0.00 O ATOM 922 OXT GLU A 56 -2.122 -16.403 -5.133 1.00 0.00 O ATOM 0 H GLU A 56 -3.526 -13.143 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.859 -13.862 -6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.604 -12.729 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.454 -14.185 -3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.315 -15.424 -3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.552 -13.999 -4.362 1.00 0.00 H new TER 929 GLU A 56