USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 611 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 7 THR OG1 : rot 128:sc= 1.11 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 2 GLN : amide:sc=0.000687 X(o=0.00069,f=-0.42) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -63:sc= 0.83 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : A 25 ASN : amide:sc= -2.02! C(o=-2!,f=-4.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.529 K(o=-0.53,f=-2.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.346 K(o=0.35,f=-7.1!) USER MOD Single : A 41 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.13) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -140:sc= -0.0846 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.81) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -141:sc= -0.182 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.775 -8.342 -1.828 1.00 0.00 N ATOM 2 CA MET A 1 11.278 -8.859 -3.113 1.00 0.00 C ATOM 3 C MET A 1 9.823 -8.461 -3.319 1.00 0.00 C ATOM 4 O MET A 1 9.490 -7.808 -4.305 1.00 0.00 O ATOM 5 CB MET A 1 11.436 -10.377 -3.175 1.00 0.00 C ATOM 6 CG MET A 1 11.071 -10.878 -4.570 1.00 0.00 C ATOM 7 SD MET A 1 11.231 -12.670 -4.762 1.00 0.00 S ATOM 8 CE MET A 1 12.992 -12.751 -5.172 1.00 0.00 C ATOM 0 H1 MET A 1 12.769 -8.622 -1.702 1.00 0.00 H new ATOM 0 H2 MET A 1 11.704 -7.304 -1.820 1.00 0.00 H new ATOM 0 H3 MET A 1 11.204 -8.734 -1.052 1.00 0.00 H new ATOM 0 HA MET A 1 11.870 -8.420 -3.916 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.462 -10.655 -2.936 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.796 -10.849 -2.430 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.045 -10.587 -4.794 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.709 -10.384 -5.303 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.282 -13.790 -5.328 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.180 -12.181 -6.082 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.576 -12.331 -4.353 1.00 0.00 H new ATOM 18 N GLN A 2 8.957 -8.849 -2.380 1.00 0.00 N ATOM 19 CA GLN A 2 7.547 -8.514 -2.433 1.00 0.00 C ATOM 20 C GLN A 2 7.135 -7.924 -1.091 1.00 0.00 C ATOM 21 O GLN A 2 7.936 -7.884 -0.161 1.00 0.00 O ATOM 22 CB GLN A 2 6.734 -9.771 -2.742 1.00 0.00 C ATOM 23 CG GLN A 2 6.924 -10.171 -4.204 1.00 0.00 C ATOM 24 CD GLN A 2 6.112 -11.417 -4.536 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.047 -12.350 -3.738 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.491 -11.432 -5.716 1.00 0.00 N ATOM 0 H GLN A 2 9.221 -9.403 -1.566 1.00 0.00 H new ATOM 0 HA GLN A 2 7.360 -7.782 -3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.048 -10.586 -2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.678 -9.590 -2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.619 -9.350 -4.853 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.980 -10.357 -4.400 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.574 -10.634 -6.346 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.933 -12.241 -5.988 1.00 0.00 H new ATOM 35 N ILE A 3 5.882 -7.481 -0.986 1.00 0.00 N ATOM 36 CA ILE A 3 5.355 -6.951 0.258 1.00 0.00 C ATOM 37 C ILE A 3 3.930 -7.456 0.445 1.00 0.00 C ATOM 38 O ILE A 3 3.384 -8.104 -0.444 1.00 0.00 O ATOM 39 CB ILE A 3 5.416 -5.421 0.241 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.539 -4.872 -0.886 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.863 -4.971 0.043 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.522 -3.344 -0.854 1.00 0.00 C ATOM 0 H ILE A 3 5.214 -7.482 -1.757 1.00 0.00 H new ATOM 0 HA ILE A 3 5.957 -7.293 1.100 1.00 0.00 H new ATOM 0 HB ILE A 3 5.045 -5.037 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.915 -5.217 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.524 -5.255 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.907 -3.882 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.477 -5.350 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.239 -5.360 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.894 -2.970 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.124 -3.005 0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.537 -2.966 -0.979 1.00 0.00 H new ATOM 54 N PHE A 4 3.323 -7.157 1.595 1.00 0.00 N ATOM 55 CA PHE A 4 1.989 -7.643 1.896 1.00 0.00 C ATOM 56 C PHE A 4 1.129 -6.517 2.448 1.00 0.00 C ATOM 57 O PHE A 4 1.295 -6.108 3.595 1.00 0.00 O ATOM 58 CB PHE A 4 2.082 -8.797 2.891 1.00 0.00 C ATOM 59 CG PHE A 4 2.761 -10.021 2.323 1.00 0.00 C ATOM 60 CD1 PHE A 4 2.007 -10.987 1.644 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.145 -10.183 2.463 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.639 -12.114 1.102 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.777 -11.309 1.917 1.00 0.00 C ATOM 64 CZ PHE A 4 4.023 -12.272 1.235 1.00 0.00 C ATOM 0 H PHE A 4 3.739 -6.581 2.327 1.00 0.00 H new ATOM 0 HA PHE A 4 1.519 -8.005 0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.628 -8.464 3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.078 -9.066 3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.939 -10.863 1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.725 -9.441 2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.058 -12.861 0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.845 -11.434 2.022 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.510 -13.138 0.811 1.00 0.00 H new ATOM 74 N VAL A 5 0.215 -6.004 1.621 1.00 0.00 N ATOM 75 CA VAL A 5 -0.710 -4.969 2.039 1.00 0.00 C ATOM 76 C VAL A 5 -2.019 -5.629 2.448 1.00 0.00 C ATOM 77 O VAL A 5 -2.673 -6.268 1.626 1.00 0.00 O ATOM 78 CB VAL A 5 -0.938 -3.987 0.888 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.892 -2.882 1.337 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.388 -3.359 0.464 1.00 0.00 C ATOM 0 H VAL A 5 0.102 -6.298 0.651 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.303 -4.415 2.885 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.369 -4.528 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.053 -2.184 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.845 -3.322 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.460 -2.351 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.215 -2.662 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.824 -2.825 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.073 -4.141 0.136 1.00 0.00 H new ATOM 90 N LYS A 6 -2.395 -5.500 3.722 1.00 0.00 N ATOM 91 CA LYS A 6 -3.597 -6.138 4.223 1.00 0.00 C ATOM 92 C LYS A 6 -4.700 -5.104 4.390 1.00 0.00 C ATOM 93 O LYS A 6 -4.571 -4.176 5.188 1.00 0.00 O ATOM 94 CB LYS A 6 -3.288 -6.834 5.546 1.00 0.00 C ATOM 95 CG LYS A 6 -4.506 -7.637 5.999 1.00 0.00 C ATOM 96 CD LYS A 6 -4.175 -8.382 7.289 1.00 0.00 C ATOM 97 CE LYS A 6 -5.375 -9.225 7.712 1.00 0.00 C ATOM 98 NZ LYS A 6 -5.073 -9.997 8.928 1.00 0.00 N ATOM 0 H LYS A 6 -1.881 -4.960 4.418 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.943 -6.887 3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.428 -7.493 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.024 -6.096 6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.354 -6.972 6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.797 -8.345 5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.304 -9.020 7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.920 -7.672 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.234 -8.578 7.891 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.650 -9.904 6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.904 -10.562 9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.268 -10.630 8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.833 -9.345 9.702 1.00 0.00 H new ATOM 112 N THR A 7 -5.761 -5.237 3.592 1.00 0.00 N ATOM 113 CA THR A 7 -6.885 -4.323 3.638 1.00 0.00 C ATOM 114 C THR A 7 -7.607 -4.455 4.973 1.00 0.00 C ATOM 115 O THR A 7 -7.350 -5.388 5.732 1.00 0.00 O ATOM 116 CB THR A 7 -7.843 -4.645 2.493 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.340 -5.951 2.665 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.117 -4.552 1.153 1.00 0.00 C ATOM 0 H THR A 7 -5.858 -5.981 2.901 1.00 0.00 H new ATOM 0 HA THR A 7 -6.526 -3.299 3.533 1.00 0.00 H new ATOM 0 HB THR A 7 -8.663 -3.927 2.499 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.319 -5.937 2.620 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.812 -4.784 0.346 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.729 -3.542 1.019 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.291 -5.263 1.136 1.00 0.00 H new ATOM 126 N ALA A 8 -8.562 -3.559 5.225 1.00 0.00 N ATOM 127 CA ALA A 8 -9.364 -3.615 6.431 1.00 0.00 C ATOM 128 C ALA A 8 -10.439 -4.689 6.293 1.00 0.00 C ATOM 129 O ALA A 8 -11.167 -4.960 7.246 1.00 0.00 O ATOM 130 CB ALA A 8 -10.001 -2.251 6.677 1.00 0.00 C ATOM 0 H ALA A 8 -8.794 -2.785 4.602 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.730 -3.870 7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.605 -2.290 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.219 -1.500 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.634 -1.987 5.830 1.00 0.00 H new ATOM 136 N THR A 9 -10.553 -5.291 5.104 1.00 0.00 N ATOM 137 CA THR A 9 -11.527 -6.343 4.874 1.00 0.00 C ATOM 138 C THR A 9 -10.898 -7.703 5.155 1.00 0.00 C ATOM 139 O THR A 9 -11.596 -8.715 5.178 1.00 0.00 O ATOM 140 CB THR A 9 -12.043 -6.268 3.436 1.00 0.00 C ATOM 141 OG1 THR A 9 -10.971 -6.393 2.529 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.739 -4.928 3.211 1.00 0.00 C ATOM 0 H THR A 9 -9.980 -5.062 4.292 1.00 0.00 H new ATOM 0 HA THR A 9 -12.371 -6.209 5.550 1.00 0.00 H new ATOM 0 HB THR A 9 -12.749 -7.082 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.312 -6.345 1.611 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.106 -4.876 2.186 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.577 -4.833 3.902 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.032 -4.117 3.385 1.00 0.00 H new ATOM 150 N GLY A 10 -9.587 -7.719 5.411 1.00 0.00 N ATOM 151 CA GLY A 10 -8.881 -8.936 5.768 1.00 0.00 C ATOM 152 C GLY A 10 -8.133 -9.520 4.574 1.00 0.00 C ATOM 153 O GLY A 10 -7.406 -10.501 4.728 1.00 0.00 O ATOM 0 H GLY A 10 -8.995 -6.889 5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.176 -8.726 6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.590 -9.671 6.149 1.00 0.00 H new ATOM 157 N LYS A 11 -8.314 -8.943 3.383 1.00 0.00 N ATOM 158 CA LYS A 11 -7.615 -9.423 2.204 1.00 0.00 C ATOM 159 C LYS A 11 -6.148 -9.028 2.256 1.00 0.00 C ATOM 160 O LYS A 11 -5.813 -7.855 2.103 1.00 0.00 O ATOM 161 CB LYS A 11 -8.246 -8.860 0.932 1.00 0.00 C ATOM 162 CG LYS A 11 -9.577 -9.544 0.632 1.00 0.00 C ATOM 163 CD LYS A 11 -9.951 -9.250 -0.821 1.00 0.00 C ATOM 164 CE LYS A 11 -11.134 -10.116 -1.244 1.00 0.00 C ATOM 165 NZ LYS A 11 -11.396 -9.980 -2.686 1.00 0.00 N ATOM 0 H LYS A 11 -8.934 -8.150 3.217 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.695 -10.510 2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.402 -7.787 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.565 -8.998 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.496 -10.619 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.352 -9.178 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.204 -8.196 -0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.098 -9.444 -1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.930 -11.160 -1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.021 -9.827 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.205 -10.578 -2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.613 -8.987 -2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.556 -10.278 -3.221 1.00 0.00 H new ATOM 179 N THR A 12 -5.269 -10.017 2.422 1.00 0.00 N ATOM 180 CA THR A 12 -3.844 -9.791 2.295 1.00 0.00 C ATOM 181 C THR A 12 -3.517 -9.697 0.810 1.00 0.00 C ATOM 182 O THR A 12 -4.070 -10.449 0.009 1.00 0.00 O ATOM 183 CB THR A 12 -3.086 -10.944 2.950 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.616 -11.185 4.234 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.604 -10.594 3.066 1.00 0.00 C ATOM 0 H THR A 12 -5.527 -10.979 2.644 1.00 0.00 H new ATOM 0 HA THR A 12 -3.547 -8.868 2.793 1.00 0.00 H new ATOM 0 HB THR A 12 -3.194 -11.838 2.336 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.131 -11.926 4.654 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.070 -11.421 3.534 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.194 -10.414 2.072 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.489 -9.697 3.675 1.00 0.00 H new ATOM 193 N ILE A 13 -2.643 -8.761 0.432 1.00 0.00 N ATOM 194 CA ILE A 13 -2.315 -8.551 -0.965 1.00 0.00 C ATOM 195 C ILE A 13 -0.808 -8.590 -1.168 1.00 0.00 C ATOM 196 O ILE A 13 -0.103 -7.664 -0.769 1.00 0.00 O ATOM 197 CB ILE A 13 -2.896 -7.215 -1.439 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.386 -7.141 -1.095 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.695 -7.087 -2.949 1.00 0.00 C ATOM 200 CD1 ILE A 13 -4.961 -5.784 -1.501 1.00 0.00 C ATOM 0 H ILE A 13 -2.155 -8.141 1.079 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.755 -9.352 -1.559 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.383 -6.395 -0.936 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.924 -7.939 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.527 -7.297 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.107 -6.138 -3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.630 -7.125 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.205 -7.907 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.021 -5.748 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.435 -4.992 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.838 -5.643 -2.575 1.00 0.00 H new ATOM 212 N THR A 14 -0.319 -9.662 -1.795 1.00 0.00 N ATOM 213 CA THR A 14 1.082 -9.778 -2.144 1.00 0.00 C ATOM 214 C THR A 14 1.383 -8.793 -3.266 1.00 0.00 C ATOM 215 O THR A 14 0.926 -8.982 -4.392 1.00 0.00 O ATOM 216 CB THR A 14 1.382 -11.210 -2.585 1.00 0.00 C ATOM 217 OG1 THR A 14 0.929 -12.112 -1.600 1.00 0.00 O ATOM 218 CG2 THR A 14 2.886 -11.385 -2.784 1.00 0.00 C ATOM 0 H THR A 14 -0.886 -10.464 -2.070 1.00 0.00 H new ATOM 0 HA THR A 14 1.711 -9.547 -1.284 1.00 0.00 H new ATOM 0 HB THR A 14 0.869 -11.411 -3.526 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.423 -11.962 -0.767 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.095 -12.408 -3.098 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.235 -10.692 -3.549 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.403 -11.181 -1.847 1.00 0.00 H new ATOM 226 N LEU A 15 2.091 -7.708 -2.946 1.00 0.00 N ATOM 227 CA LEU A 15 2.357 -6.666 -3.918 1.00 0.00 C ATOM 228 C LEU A 15 3.832 -6.662 -4.295 1.00 0.00 C ATOM 229 O LEU A 15 4.675 -7.115 -3.523 1.00 0.00 O ATOM 230 CB LEU A 15 1.938 -5.319 -3.330 1.00 0.00 C ATOM 231 CG LEU A 15 1.610 -4.314 -4.434 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.331 -4.731 -5.158 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.407 -2.940 -3.801 1.00 0.00 C ATOM 0 H LEU A 15 2.486 -7.536 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 15 1.783 -6.852 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.068 -5.454 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.739 -4.927 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 15 2.429 -4.281 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.105 -4.009 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.469 -5.717 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.495 -4.765 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.172 -2.213 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.585 -2.986 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.319 -2.639 -3.285 1.00 0.00 H new ATOM 245 N GLU A 16 4.140 -6.124 -5.476 1.00 0.00 N ATOM 246 CA GLU A 16 5.504 -6.033 -5.956 1.00 0.00 C ATOM 247 C GLU A 16 5.718 -4.664 -6.589 1.00 0.00 C ATOM 248 O GLU A 16 5.125 -4.361 -7.623 1.00 0.00 O ATOM 249 CB GLU A 16 5.761 -7.165 -6.949 1.00 0.00 C ATOM 250 CG GLU A 16 7.247 -7.231 -7.290 1.00 0.00 C ATOM 251 CD GLU A 16 7.558 -8.449 -8.151 1.00 0.00 C ATOM 252 OE1 GLU A 16 6.824 -9.452 -8.011 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.585 -8.391 -8.863 1.00 0.00 O ATOM 0 H GLU A 16 3.447 -5.742 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 16 6.212 -6.139 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.434 -8.114 -6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.178 -7.004 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.543 -6.324 -7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.833 -7.272 -6.372 1.00 0.00 H new ATOM 260 N VAL A 17 6.531 -3.818 -5.949 1.00 0.00 N ATOM 261 CA VAL A 17 6.736 -2.460 -6.424 1.00 0.00 C ATOM 262 C VAL A 17 8.220 -2.164 -6.595 1.00 0.00 C ATOM 263 O VAL A 17 9.068 -2.857 -6.032 1.00 0.00 O ATOM 264 CB VAL A 17 6.109 -1.475 -5.433 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.604 -1.712 -5.337 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.734 -1.651 -4.049 1.00 0.00 C ATOM 0 H VAL A 17 7.053 -4.055 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 17 6.257 -2.351 -7.397 1.00 0.00 H new ATOM 0 HB VAL A 17 6.295 -0.462 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.169 -1.006 -4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.150 -1.569 -6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.417 -2.730 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.281 -0.946 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.561 -2.669 -3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.806 -1.464 -4.108 1.00 0.00 H new ATOM 276 N GLU A 18 8.525 -1.089 -7.327 1.00 0.00 N ATOM 277 CA GLU A 18 9.887 -0.628 -7.510 1.00 0.00 C ATOM 278 C GLU A 18 10.296 0.180 -6.281 1.00 0.00 C ATOM 279 O GLU A 18 9.525 1.014 -5.810 1.00 0.00 O ATOM 280 CB GLU A 18 9.967 0.235 -8.768 1.00 0.00 C ATOM 281 CG GLU A 18 9.893 -0.631 -10.028 1.00 0.00 C ATOM 282 CD GLU A 18 8.578 -1.396 -10.128 1.00 0.00 C ATOM 283 OE1 GLU A 18 8.634 -2.558 -10.588 1.00 0.00 O ATOM 284 OE2 GLU A 18 7.531 -0.777 -9.841 1.00 0.00 O ATOM 0 H GLU A 18 7.828 -0.519 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 18 10.563 -1.475 -7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.152 0.958 -8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.897 0.803 -8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.011 0.001 -10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.723 -1.338 -10.030 1.00 0.00 H new ATOM 291 N PRO A 19 11.520 -0.029 -5.786 1.00 0.00 N ATOM 292 CA PRO A 19 12.013 0.569 -4.560 1.00 0.00 C ATOM 293 C PRO A 19 11.955 2.095 -4.544 1.00 0.00 C ATOM 294 O PRO A 19 11.957 2.687 -3.466 1.00 0.00 O ATOM 295 CB PRO A 19 13.459 0.090 -4.424 1.00 0.00 C ATOM 296 CG PRO A 19 13.511 -1.204 -5.235 1.00 0.00 C ATOM 297 CD PRO A 19 12.444 -1.015 -6.309 1.00 0.00 C ATOM 0 HA PRO A 19 11.379 0.263 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.160 0.829 -4.811 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.723 -0.084 -3.381 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.496 -1.359 -5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.300 -2.073 -4.612 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.888 -0.675 -7.245 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.933 -1.954 -6.521 1.00 0.00 H new ATOM 305 N SER A 20 11.939 2.743 -5.713 1.00 0.00 N ATOM 306 CA SER A 20 12.062 4.193 -5.765 1.00 0.00 C ATOM 307 C SER A 20 10.949 4.837 -6.585 1.00 0.00 C ATOM 308 O SER A 20 11.079 5.987 -7.000 1.00 0.00 O ATOM 309 CB SER A 20 13.435 4.561 -6.324 1.00 0.00 C ATOM 310 OG SER A 20 14.443 4.025 -5.495 1.00 0.00 O ATOM 0 H SER A 20 11.843 2.289 -6.621 1.00 0.00 H new ATOM 0 HA SER A 20 11.963 4.581 -4.751 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.541 4.176 -7.338 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.536 5.645 -6.383 1.00 0.00 H new ATOM 0 HG SER A 20 15.323 4.261 -5.856 1.00 0.00 H new ATOM 316 N ASP A 21 9.867 4.102 -6.844 1.00 0.00 N ATOM 317 CA ASP A 21 8.761 4.643 -7.618 1.00 0.00 C ATOM 318 C ASP A 21 7.815 5.422 -6.710 1.00 0.00 C ATOM 319 O ASP A 21 6.770 5.884 -7.162 1.00 0.00 O ATOM 320 CB ASP A 21 8.016 3.515 -8.326 1.00 0.00 C ATOM 321 CG ASP A 21 8.658 3.192 -9.668 1.00 0.00 C ATOM 322 OD1 ASP A 21 7.926 2.666 -10.532 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.867 3.479 -9.811 1.00 0.00 O ATOM 0 H ASP A 21 9.738 3.140 -6.531 1.00 0.00 H new ATOM 0 HA ASP A 21 9.156 5.325 -8.371 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.014 2.625 -7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.975 3.801 -8.477 1.00 0.00 H new ATOM 328 N THR A 22 8.194 5.579 -5.437 1.00 0.00 N ATOM 329 CA THR A 22 7.441 6.351 -4.460 1.00 0.00 C ATOM 330 C THR A 22 6.257 5.540 -3.939 1.00 0.00 C ATOM 331 O THR A 22 5.834 4.574 -4.570 1.00 0.00 O ATOM 332 CB THR A 22 6.980 7.671 -5.088 1.00 0.00 C ATOM 333 OG1 THR A 22 8.070 8.283 -5.743 1.00 0.00 O ATOM 334 CG2 THR A 22 6.452 8.623 -4.017 1.00 0.00 C ATOM 0 H THR A 22 9.045 5.165 -5.058 1.00 0.00 H new ATOM 0 HA THR A 22 8.083 6.581 -3.610 1.00 0.00 H new ATOM 0 HB THR A 22 6.182 7.456 -5.798 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.777 9.127 -6.147 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.130 9.554 -4.484 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.607 8.162 -3.506 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.242 8.833 -3.296 1.00 0.00 H new ATOM 342 N ILE A 23 5.718 5.946 -2.784 1.00 0.00 N ATOM 343 CA ILE A 23 4.573 5.290 -2.174 1.00 0.00 C ATOM 344 C ILE A 23 3.425 5.203 -3.175 1.00 0.00 C ATOM 345 O ILE A 23 2.594 4.302 -3.085 1.00 0.00 O ATOM 346 CB ILE A 23 4.152 6.073 -0.925 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.227 5.963 0.163 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.821 5.544 -0.388 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.356 4.530 0.681 1.00 0.00 C ATOM 0 H ILE A 23 6.070 6.741 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 23 4.842 4.275 -1.881 1.00 0.00 H new ATOM 0 HB ILE A 23 4.033 7.120 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.186 6.294 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.979 6.629 0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.536 6.110 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.051 5.654 -1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.926 4.491 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.127 4.489 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.404 4.209 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.629 3.869 -0.141 1.00 0.00 H new ATOM 361 N GLU A 24 3.381 6.136 -4.129 1.00 0.00 N ATOM 362 CA GLU A 24 2.331 6.172 -5.131 1.00 0.00 C ATOM 363 C GLU A 24 2.245 4.835 -5.861 1.00 0.00 C ATOM 364 O GLU A 24 1.159 4.413 -6.252 1.00 0.00 O ATOM 365 CB GLU A 24 2.624 7.301 -6.119 1.00 0.00 C ATOM 366 CG GLU A 24 1.553 7.335 -7.208 1.00 0.00 C ATOM 367 CD GLU A 24 1.870 8.401 -8.248 1.00 0.00 C ATOM 368 OE1 GLU A 24 1.497 9.569 -8.000 1.00 0.00 O ATOM 369 OE2 GLU A 24 2.483 8.030 -9.273 1.00 0.00 O ATOM 0 H GLU A 24 4.072 6.881 -4.222 1.00 0.00 H new ATOM 0 HA GLU A 24 1.372 6.354 -4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.651 8.256 -5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.606 7.156 -6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.487 6.359 -7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.580 7.536 -6.760 1.00 0.00 H new ATOM 376 N ASN A 25 3.382 4.153 -6.014 1.00 0.00 N ATOM 377 CA ASN A 25 3.426 2.902 -6.746 1.00 0.00 C ATOM 378 C ASN A 25 2.704 1.806 -5.971 1.00 0.00 C ATOM 379 O ASN A 25 2.115 0.908 -6.568 1.00 0.00 O ATOM 380 CB ASN A 25 4.884 2.514 -6.978 1.00 0.00 C ATOM 381 CG ASN A 25 5.005 1.391 -8.000 1.00 0.00 C ATOM 382 OD1 ASN A 25 4.017 0.984 -8.605 1.00 0.00 O ATOM 383 ND2 ASN A 25 6.226 0.895 -8.196 1.00 0.00 N ATOM 0 H ASN A 25 4.281 4.453 -5.637 1.00 0.00 H new ATOM 0 HA ASN A 25 2.924 3.025 -7.705 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.443 3.384 -7.323 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.333 2.200 -6.036 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.369 0.145 -8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.017 1.265 -7.670 1.00 0.00 H new ATOM 390 N VAL A 26 2.711 1.898 -4.639 1.00 0.00 N ATOM 391 CA VAL A 26 2.053 0.901 -3.817 1.00 0.00 C ATOM 392 C VAL A 26 0.547 0.998 -4.021 1.00 0.00 C ATOM 393 O VAL A 26 -0.152 -0.011 -3.987 1.00 0.00 O ATOM 394 CB VAL A 26 2.418 1.128 -2.349 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.761 0.059 -1.477 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.934 1.055 -2.175 1.00 0.00 C ATOM 0 H VAL A 26 3.163 2.649 -4.118 1.00 0.00 H new ATOM 0 HA VAL A 26 2.382 -0.098 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 26 2.062 2.113 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.026 0.228 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.678 0.112 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.110 -0.927 -1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.188 1.217 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.289 0.073 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.408 1.823 -2.787 1.00 0.00 H new ATOM 406 N LYS A 27 0.054 2.211 -4.283 1.00 0.00 N ATOM 407 CA LYS A 27 -1.359 2.425 -4.525 1.00 0.00 C ATOM 408 C LYS A 27 -1.694 2.098 -5.975 1.00 0.00 C ATOM 409 O LYS A 27 -2.813 1.687 -6.273 1.00 0.00 O ATOM 410 CB LYS A 27 -1.709 3.882 -4.221 1.00 0.00 C ATOM 411 CG LYS A 27 -1.414 4.195 -2.754 1.00 0.00 C ATOM 412 CD LYS A 27 -1.865 5.617 -2.417 1.00 0.00 C ATOM 413 CE LYS A 27 -1.073 6.628 -3.246 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.444 8.009 -2.894 1.00 0.00 N ATOM 0 H LYS A 27 0.622 3.057 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.942 1.771 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.133 4.545 -4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.762 4.064 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.928 3.480 -2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.347 4.088 -2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.931 5.726 -2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.718 5.811 -1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.006 6.482 -3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.258 6.458 -4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.892 8.675 -3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.458 8.153 -3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.245 8.176 -1.887 1.00 0.00 H new ATOM 428 N ALA A 28 -0.720 2.262 -6.875 1.00 0.00 N ATOM 429 CA ALA A 28 -0.948 2.065 -8.294 1.00 0.00 C ATOM 430 C ALA A 28 -1.019 0.582 -8.640 1.00 0.00 C ATOM 431 O ALA A 28 -1.801 0.189 -9.503 1.00 0.00 O ATOM 432 CB ALA A 28 0.179 2.732 -9.080 1.00 0.00 C ATOM 0 H ALA A 28 0.234 2.532 -6.636 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.904 2.516 -8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.013 2.587 -10.148 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.196 3.799 -8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.133 2.287 -8.797 1.00 0.00 H new ATOM 438 N LYS A 29 -0.223 -0.249 -7.963 1.00 0.00 N ATOM 439 CA LYS A 29 -0.220 -1.673 -8.251 1.00 0.00 C ATOM 440 C LYS A 29 -1.441 -2.335 -7.626 1.00 0.00 C ATOM 441 O LYS A 29 -1.846 -3.413 -8.057 1.00 0.00 O ATOM 442 CB LYS A 29 1.068 -2.304 -7.722 1.00 0.00 C ATOM 443 CG LYS A 29 2.283 -1.742 -8.463 1.00 0.00 C ATOM 444 CD LYS A 29 2.277 -2.188 -9.924 1.00 0.00 C ATOM 445 CE LYS A 29 3.524 -1.648 -10.620 1.00 0.00 C ATOM 446 NZ LYS A 29 3.565 -2.066 -12.031 1.00 0.00 N ATOM 0 H LYS A 29 0.417 0.040 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.264 -1.823 -9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.164 -2.109 -6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.027 -3.386 -7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.276 -0.653 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.199 -2.079 -7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.255 -3.276 -9.984 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.380 -1.823 -10.424 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.536 -0.560 -10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.416 -2.006 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.422 -1.686 -12.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.577 -3.105 -12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.725 -1.703 -12.525 1.00 0.00 H new ATOM 460 N ILE A 30 -2.060 -1.677 -6.642 1.00 0.00 N ATOM 461 CA ILE A 30 -3.273 -2.197 -6.038 1.00 0.00 C ATOM 462 C ILE A 30 -4.476 -1.674 -6.809 1.00 0.00 C ATOM 463 O ILE A 30 -5.523 -2.315 -6.830 1.00 0.00 O ATOM 464 CB ILE A 30 -3.341 -1.776 -4.568 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.200 -2.444 -3.799 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.682 -2.202 -3.967 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.116 -1.887 -2.378 1.00 0.00 C ATOM 0 H ILE A 30 -1.738 -0.790 -6.254 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.274 -3.286 -6.080 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.247 -0.692 -4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.358 -3.522 -3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.256 -2.277 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.724 -1.900 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.494 -1.725 -4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.784 -3.285 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.299 -2.373 -1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.935 -0.813 -2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.054 -2.078 -1.856 1.00 0.00 H new ATOM 479 N GLN A 31 -4.311 -0.543 -7.499 1.00 0.00 N ATOM 480 CA GLN A 31 -5.370 -0.013 -8.334 1.00 0.00 C ATOM 481 C GLN A 31 -5.643 -0.991 -9.470 1.00 0.00 C ATOM 482 O GLN A 31 -6.775 -1.114 -9.930 1.00 0.00 O ATOM 483 CB GLN A 31 -4.951 1.349 -8.885 1.00 0.00 C ATOM 484 CG GLN A 31 -6.087 1.940 -9.716 1.00 0.00 C ATOM 485 CD GLN A 31 -5.650 3.225 -10.403 1.00 0.00 C ATOM 486 OE1 GLN A 31 -5.204 4.165 -9.748 1.00 0.00 O ATOM 487 NE2 GLN A 31 -5.766 3.261 -11.731 1.00 0.00 N ATOM 0 H GLN A 31 -3.457 0.014 -7.491 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.281 0.115 -7.749 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.699 2.022 -8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.056 1.244 -9.498 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.410 1.216 -10.464 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.945 2.140 -9.075 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.142 2.456 -12.232 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.479 4.093 -12.246 1.00 0.00 H new ATOM 496 N ASP A 32 -4.599 -1.693 -9.914 1.00 0.00 N ATOM 497 CA ASP A 32 -4.712 -2.650 -10.997 1.00 0.00 C ATOM 498 C ASP A 32 -5.316 -3.957 -10.497 1.00 0.00 C ATOM 499 O ASP A 32 -5.915 -4.698 -11.273 1.00 0.00 O ATOM 500 CB ASP A 32 -3.323 -2.907 -11.578 1.00 0.00 C ATOM 501 CG ASP A 32 -3.391 -3.865 -12.760 1.00 0.00 C ATOM 502 OD1 ASP A 32 -3.201 -5.078 -12.522 1.00 0.00 O ATOM 503 OD2 ASP A 32 -3.523 -3.355 -13.894 1.00 0.00 O ATOM 0 H ASP A 32 -3.658 -1.609 -9.529 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.368 -2.244 -11.768 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.878 -1.964 -11.896 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.674 -3.322 -10.807 1.00 0.00 H new ATOM 508 N LYS A 33 -5.141 -4.253 -9.205 1.00 0.00 N ATOM 509 CA LYS A 33 -5.565 -5.527 -8.654 1.00 0.00 C ATOM 510 C LYS A 33 -6.915 -5.402 -7.956 1.00 0.00 C ATOM 511 O LYS A 33 -7.852 -6.127 -8.284 1.00 0.00 O ATOM 512 CB LYS A 33 -4.500 -6.024 -7.677 1.00 0.00 C ATOM 513 CG LYS A 33 -4.741 -7.492 -7.325 1.00 0.00 C ATOM 514 CD LYS A 33 -4.474 -8.369 -8.547 1.00 0.00 C ATOM 515 CE LYS A 33 -4.575 -9.841 -8.157 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.298 -10.714 -9.309 1.00 0.00 N ATOM 0 H LYS A 33 -4.709 -3.623 -8.529 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.682 -6.245 -9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.510 -5.907 -8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.518 -5.419 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.090 -7.790 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.767 -7.630 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.193 -8.141 -9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.483 -8.157 -8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.869 -10.057 -7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.572 -10.050 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.373 -11.709 -9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.987 -10.522 -10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.337 -10.529 -9.662 1.00 0.00 H new ATOM 530 N GLU A 34 -7.006 -4.499 -6.977 1.00 0.00 N ATOM 531 CA GLU A 34 -8.212 -4.334 -6.187 1.00 0.00 C ATOM 532 C GLU A 34 -9.166 -3.370 -6.887 1.00 0.00 C ATOM 533 O GLU A 34 -10.355 -3.338 -6.580 1.00 0.00 O ATOM 534 CB GLU A 34 -7.823 -3.804 -4.806 1.00 0.00 C ATOM 535 CG GLU A 34 -8.970 -3.967 -3.810 1.00 0.00 C ATOM 536 CD GLU A 34 -9.387 -5.427 -3.681 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.602 -5.685 -3.825 1.00 0.00 O ATOM 538 OE2 GLU A 34 -8.480 -6.266 -3.493 1.00 0.00 O ATOM 0 H GLU A 34 -6.247 -3.869 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.722 -5.291 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.944 -4.337 -4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.549 -2.752 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.665 -3.586 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.823 -3.370 -4.133 1.00 0.00 H new ATOM 545 N GLY A 35 -8.649 -2.616 -7.861 1.00 0.00 N ATOM 546 CA GLY A 35 -9.458 -1.723 -8.669 1.00 0.00 C ATOM 547 C GLY A 35 -9.736 -0.405 -7.951 1.00 0.00 C ATOM 548 O GLY A 35 -10.239 0.531 -8.568 1.00 0.00 O ATOM 0 H GLY A 35 -7.659 -2.613 -8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.948 -1.523 -9.611 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.402 -2.210 -8.914 1.00 0.00 H new ATOM 552 N ILE A 36 -9.410 -0.323 -6.657 1.00 0.00 N ATOM 553 CA ILE A 36 -9.679 0.870 -5.871 1.00 0.00 C ATOM 554 C ILE A 36 -8.659 1.960 -6.195 1.00 0.00 C ATOM 555 O ILE A 36 -7.476 1.801 -5.897 1.00 0.00 O ATOM 556 CB ILE A 36 -9.623 0.521 -4.383 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.629 -0.594 -4.085 1.00 0.00 C ATOM 558 CG2 ILE A 36 -9.962 1.766 -3.562 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.495 -1.066 -2.638 1.00 0.00 C ATOM 0 H ILE A 36 -8.958 -1.075 -6.137 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.673 1.245 -6.117 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.623 0.178 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.642 -0.234 -4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.464 -1.431 -4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.924 1.523 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.241 2.553 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.964 2.110 -3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.218 -1.858 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.487 -1.446 -2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.684 -0.231 -1.964 1.00 0.00 H new ATOM 571 N PRO A 37 -9.119 3.095 -6.736 1.00 0.00 N ATOM 572 CA PRO A 37 -8.275 4.232 -7.048 1.00 0.00 C ATOM 573 C PRO A 37 -7.657 4.810 -5.776 1.00 0.00 C ATOM 574 O PRO A 37 -8.097 4.490 -4.673 1.00 0.00 O ATOM 575 CB PRO A 37 -9.190 5.265 -7.713 1.00 0.00 C ATOM 576 CG PRO A 37 -10.445 4.488 -8.113 1.00 0.00 C ATOM 577 CD PRO A 37 -10.490 3.318 -7.137 1.00 0.00 C ATOM 0 HA PRO A 37 -7.450 3.946 -7.701 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.431 6.077 -7.027 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.711 5.714 -8.583 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.339 5.107 -8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.387 4.143 -9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.118 3.549 -6.276 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.910 2.430 -7.609 1.00 0.00 H new ATOM 585 N PRO A 38 -6.704 5.736 -5.927 1.00 0.00 N ATOM 586 CA PRO A 38 -6.069 6.423 -4.821 1.00 0.00 C ATOM 587 C PRO A 38 -7.093 7.212 -4.009 1.00 0.00 C ATOM 588 O PRO A 38 -8.224 7.404 -4.453 1.00 0.00 O ATOM 589 CB PRO A 38 -5.037 7.363 -5.446 1.00 0.00 C ATOM 590 CG PRO A 38 -4.822 6.825 -6.862 1.00 0.00 C ATOM 591 CD PRO A 38 -6.130 6.113 -7.198 1.00 0.00 C ATOM 0 HA PRO A 38 -5.603 5.717 -4.134 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.399 8.391 -5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.107 7.363 -4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.615 7.631 -7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.975 6.141 -6.903 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.802 6.768 -7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.951 5.238 -7.822 1.00 0.00 H new ATOM 599 N ASP A 39 -6.672 7.698 -2.837 1.00 0.00 N ATOM 600 CA ASP A 39 -7.487 8.508 -1.940 1.00 0.00 C ATOM 601 C ASP A 39 -8.563 7.670 -1.262 1.00 0.00 C ATOM 602 O ASP A 39 -8.771 7.789 -0.057 1.00 0.00 O ATOM 603 CB ASP A 39 -8.104 9.686 -2.691 1.00 0.00 C ATOM 604 CG ASP A 39 -8.710 10.677 -1.707 1.00 0.00 C ATOM 605 OD1 ASP A 39 -9.952 10.643 -1.563 1.00 0.00 O ATOM 606 OD2 ASP A 39 -7.913 11.338 -1.006 1.00 0.00 O ATOM 0 H ASP A 39 -5.731 7.532 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.837 8.903 -1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.343 10.181 -3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.872 9.328 -3.377 1.00 0.00 H new ATOM 611 N GLN A 40 -9.230 6.799 -2.024 1.00 0.00 N ATOM 612 CA GLN A 40 -10.227 5.912 -1.460 1.00 0.00 C ATOM 613 C GLN A 40 -9.530 4.912 -0.547 1.00 0.00 C ATOM 614 O GLN A 40 -10.169 4.274 0.287 1.00 0.00 O ATOM 615 CB GLN A 40 -10.978 5.200 -2.583 1.00 0.00 C ATOM 616 CG GLN A 40 -11.852 6.208 -3.327 1.00 0.00 C ATOM 617 CD GLN A 40 -12.601 5.545 -4.474 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.433 4.668 -4.251 1.00 0.00 O ATOM 619 NE2 GLN A 40 -12.339 5.995 -5.702 1.00 0.00 N ATOM 0 H GLN A 40 -9.092 6.696 -3.029 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.953 6.479 -0.877 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.271 4.737 -3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.595 4.400 -2.173 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.565 6.656 -2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.231 7.016 -3.713 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.640 6.725 -5.839 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.838 5.609 -6.504 1.00 0.00 H new ATOM 628 N GLN A 41 -8.208 4.792 -0.704 1.00 0.00 N ATOM 629 CA GLN A 41 -7.395 3.932 0.129 1.00 0.00 C ATOM 630 C GLN A 41 -6.399 4.776 0.918 1.00 0.00 C ATOM 631 O GLN A 41 -6.063 5.884 0.506 1.00 0.00 O ATOM 632 CB GLN A 41 -6.690 2.902 -0.753 1.00 0.00 C ATOM 633 CG GLN A 41 -5.680 3.593 -1.670 1.00 0.00 C ATOM 634 CD GLN A 41 -5.049 2.595 -2.631 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.225 1.778 -2.228 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.434 2.663 -3.906 1.00 0.00 N ATOM 0 H GLN A 41 -7.680 5.295 -1.418 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.018 3.398 0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.182 2.166 -0.130 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.424 2.361 -1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.176 4.384 -2.234 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.903 4.068 -1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.122 3.359 -4.195 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.041 2.019 -4.593 1.00 0.00 H new ATOM 645 N ARG A 42 -5.879 4.221 2.016 1.00 0.00 N ATOM 646 CA ARG A 42 -4.936 4.916 2.879 1.00 0.00 C ATOM 647 C ARG A 42 -3.937 3.913 3.441 1.00 0.00 C ATOM 648 O ARG A 42 -4.331 2.935 4.073 1.00 0.00 O ATOM 649 CB ARG A 42 -5.703 5.602 4.009 1.00 0.00 C ATOM 650 CG ARG A 42 -6.269 6.937 3.524 1.00 0.00 C ATOM 651 CD ARG A 42 -7.379 7.402 4.462 1.00 0.00 C ATOM 652 NE ARG A 42 -8.617 6.660 4.203 1.00 0.00 N ATOM 653 CZ ARG A 42 -9.238 5.888 5.106 1.00 0.00 C ATOM 654 NH1 ARG A 42 -8.744 5.770 6.344 1.00 0.00 N ATOM 655 NH2 ARG A 42 -10.357 5.235 4.768 1.00 0.00 N ATOM 0 H ARG A 42 -6.104 3.276 2.327 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.393 5.672 2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.513 4.958 4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.042 5.766 4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.477 7.685 3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.658 6.831 2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.072 7.257 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.553 8.469 4.327 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.033 6.736 3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.893 6.268 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.219 5.182 7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.735 5.326 3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.831 4.647 5.453 1.00 0.00 H new ATOM 669 N LEU A 43 -2.643 4.172 3.232 1.00 0.00 N ATOM 670 CA LEU A 43 -1.588 3.258 3.636 1.00 0.00 C ATOM 671 C LEU A 43 -1.015 3.670 4.987 1.00 0.00 C ATOM 672 O LEU A 43 -1.065 4.841 5.359 1.00 0.00 O ATOM 673 CB LEU A 43 -0.479 3.290 2.582 1.00 0.00 C ATOM 674 CG LEU A 43 -0.819 2.383 1.400 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.181 2.633 0.274 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.730 0.917 1.823 1.00 0.00 C ATOM 0 H LEU A 43 -2.305 5.021 2.779 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.998 2.252 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.336 4.312 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.462 2.972 3.030 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.832 2.602 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.056 1.989 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.125 3.676 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.189 2.413 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.974 0.278 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.282 0.697 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.434 0.729 2.633 1.00 0.00 H new ATOM 688 N ALA A 44 -0.432 2.701 5.702 1.00 0.00 N ATOM 689 CA ALA A 44 0.224 2.944 6.974 1.00 0.00 C ATOM 690 C ALA A 44 1.145 1.773 7.307 1.00 0.00 C ATOM 691 O ALA A 44 1.062 0.717 6.681 1.00 0.00 O ATOM 692 CB ALA A 44 -0.831 3.105 8.066 1.00 0.00 C ATOM 0 H ALA A 44 -0.407 1.725 5.406 1.00 0.00 H new ATOM 0 HA ALA A 44 0.818 3.856 6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.340 3.288 9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.479 3.947 7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.428 2.195 8.132 1.00 0.00 H new ATOM 698 N PHE A 45 1.979 1.944 8.337 1.00 0.00 N ATOM 699 CA PHE A 45 2.878 0.905 8.812 1.00 0.00 C ATOM 700 C PHE A 45 2.989 0.980 10.328 1.00 0.00 C ATOM 701 O PHE A 45 3.550 1.935 10.859 1.00 0.00 O ATOM 702 CB PHE A 45 4.247 1.070 8.154 1.00 0.00 C ATOM 703 CG PHE A 45 5.186 -0.089 8.407 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.753 -0.269 9.676 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.477 -0.998 7.381 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.624 -1.341 9.911 1.00 0.00 C ATOM 707 CE2 PHE A 45 6.346 -2.070 7.615 1.00 0.00 C ATOM 708 CZ PHE A 45 6.923 -2.240 8.880 1.00 0.00 C ATOM 0 H PHE A 45 2.045 2.815 8.863 1.00 0.00 H new ATOM 0 HA PHE A 45 2.484 -0.075 8.544 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.112 1.189 7.079 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.709 1.987 8.520 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.518 0.420 10.474 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.029 -0.871 6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.065 -1.474 10.888 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.572 -2.766 6.820 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.598 -3.064 9.060 1.00 0.00 H new ATOM 718 N ALA A 46 2.466 -0.033 11.024 1.00 0.00 N ATOM 719 CA ALA A 46 2.466 -0.065 12.478 1.00 0.00 C ATOM 720 C ALA A 46 1.840 1.207 13.047 1.00 0.00 C ATOM 721 O ALA A 46 2.064 1.546 14.207 1.00 0.00 O ATOM 722 CB ALA A 46 3.892 -0.263 12.987 1.00 0.00 C ATOM 0 H ALA A 46 2.033 -0.849 10.591 1.00 0.00 H new ATOM 0 HA ALA A 46 1.859 -0.904 12.818 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.889 -0.287 14.077 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.287 -1.204 12.605 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.519 0.560 12.643 1.00 0.00 H new ATOM 728 N GLY A 47 1.063 1.916 12.223 1.00 0.00 N ATOM 729 CA GLY A 47 0.371 3.120 12.644 1.00 0.00 C ATOM 730 C GLY A 47 1.066 4.366 12.112 1.00 0.00 C ATOM 731 O GLY A 47 0.496 5.454 12.149 1.00 0.00 O ATOM 0 H GLY A 47 0.901 1.665 11.248 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.659 3.094 12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.331 3.159 13.733 1.00 0.00 H new ATOM 735 N LYS A 48 2.277 4.205 11.575 1.00 0.00 N ATOM 736 CA LYS A 48 3.007 5.317 11.001 1.00 0.00 C ATOM 737 C LYS A 48 2.434 5.624 9.624 1.00 0.00 C ATOM 738 O LYS A 48 2.401 4.752 8.758 1.00 0.00 O ATOM 739 CB LYS A 48 4.490 4.958 10.901 1.00 0.00 C ATOM 740 CG LYS A 48 5.030 4.559 12.275 1.00 0.00 C ATOM 741 CD LYS A 48 6.513 4.213 12.163 1.00 0.00 C ATOM 742 CE LYS A 48 7.057 3.845 13.542 1.00 0.00 C ATOM 743 NZ LYS A 48 8.485 3.495 13.472 1.00 0.00 N ATOM 0 H LYS A 48 2.766 3.311 11.530 1.00 0.00 H new ATOM 0 HA LYS A 48 2.908 6.200 11.633 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.626 4.138 10.196 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.052 5.808 10.514 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.889 5.376 12.983 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.475 3.704 12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.652 3.382 11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.065 5.061 11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.918 4.682 14.227 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.493 3.005 13.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.829 3.249 14.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.612 2.682 12.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.024 4.307 13.108 1.00 0.00 H new ATOM 757 N GLN A 49 1.961 6.857 9.429 1.00 0.00 N ATOM 758 CA GLN A 49 1.360 7.257 8.171 1.00 0.00 C ATOM 759 C GLN A 49 2.419 7.311 7.076 1.00 0.00 C ATOM 760 O GLN A 49 3.552 7.714 7.327 1.00 0.00 O ATOM 761 CB GLN A 49 0.683 8.619 8.338 1.00 0.00 C ATOM 762 CG GLN A 49 1.704 9.687 8.730 1.00 0.00 C ATOM 763 CD GLN A 49 1.031 11.044 8.892 1.00 0.00 C ATOM 764 OE1 GLN A 49 0.189 11.422 8.081 1.00 0.00 O ATOM 765 NE2 GLN A 49 1.395 11.772 9.949 1.00 0.00 N ATOM 0 H GLN A 49 1.987 7.593 10.135 1.00 0.00 H new ATOM 0 HA GLN A 49 0.608 6.524 7.880 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.192 8.903 7.407 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.093 8.554 9.101 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.193 9.405 9.662 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.482 9.750 7.969 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.099 11.416 10.595 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.969 12.685 10.111 1.00 0.00 H new ATOM 774 N LEU A 50 2.050 6.895 5.862 1.00 0.00 N ATOM 775 CA LEU A 50 2.943 6.970 4.720 1.00 0.00 C ATOM 776 C LEU A 50 2.460 8.076 3.793 1.00 0.00 C ATOM 777 O LEU A 50 1.270 8.384 3.769 1.00 0.00 O ATOM 778 CB LEU A 50 2.964 5.624 3.995 1.00 0.00 C ATOM 779 CG LEU A 50 3.404 4.508 4.945 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.354 3.171 4.211 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.831 4.754 5.432 1.00 0.00 C ATOM 0 H LEU A 50 1.133 6.502 5.652 1.00 0.00 H new ATOM 0 HA LEU A 50 3.958 7.197 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.973 5.402 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.643 5.674 3.144 1.00 0.00 H new ATOM 0 HG LEU A 50 2.732 4.492 5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.667 2.374 4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.336 2.980 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.023 3.203 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.129 3.951 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.508 4.780 4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.876 5.707 5.959 1.00 0.00 H new ATOM 793 N GLU A 51 3.373 8.658 3.012 1.00 0.00 N ATOM 794 CA GLU A 51 3.016 9.738 2.112 1.00 0.00 C ATOM 795 C GLU A 51 3.891 9.688 0.864 1.00 0.00 C ATOM 796 O GLU A 51 4.961 9.082 0.876 1.00 0.00 O ATOM 797 CB GLU A 51 3.174 11.065 2.855 1.00 0.00 C ATOM 798 CG GLU A 51 2.541 12.206 2.063 1.00 0.00 C ATOM 799 CD GLU A 51 2.460 13.467 2.915 1.00 0.00 C ATOM 800 OE1 GLU A 51 3.429 14.256 2.863 1.00 0.00 O ATOM 801 OE2 GLU A 51 1.463 13.584 3.662 1.00 0.00 O ATOM 0 H GLU A 51 4.358 8.396 2.990 1.00 0.00 H new ATOM 0 HA GLU A 51 1.980 9.636 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.707 10.995 3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.232 11.272 3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.128 12.403 1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.543 11.918 1.734 1.00 0.00 H new ATOM 808 N ASP A 52 3.418 10.298 -0.224 1.00 0.00 N ATOM 809 CA ASP A 52 4.154 10.333 -1.475 1.00 0.00 C ATOM 810 C ASP A 52 5.261 11.378 -1.406 1.00 0.00 C ATOM 811 O ASP A 52 5.247 12.245 -0.535 1.00 0.00 O ATOM 812 CB ASP A 52 3.194 10.652 -2.620 1.00 0.00 C ATOM 813 CG ASP A 52 2.497 11.988 -2.398 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.383 11.959 -1.830 1.00 0.00 O ATOM 815 OD2 ASP A 52 3.095 13.016 -2.784 1.00 0.00 O ATOM 0 H ASP A 52 2.518 10.777 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 52 4.611 9.359 -1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.742 10.677 -3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.450 9.860 -2.705 1.00 0.00 H new ATOM 820 N GLY A 53 6.220 11.290 -2.331 1.00 0.00 N ATOM 821 CA GLY A 53 7.301 12.254 -2.424 1.00 0.00 C ATOM 822 C GLY A 53 8.600 11.682 -1.872 1.00 0.00 C ATOM 823 O GLY A 53 9.614 12.376 -1.847 1.00 0.00 O ATOM 0 H GLY A 53 6.263 10.549 -3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.443 12.546 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.035 13.156 -1.873 1.00 0.00 H new ATOM 827 N ARG A 54 8.575 10.427 -1.414 1.00 0.00 N ATOM 828 CA ARG A 54 9.755 9.813 -0.834 1.00 0.00 C ATOM 829 C ARG A 54 9.904 8.375 -1.317 1.00 0.00 C ATOM 830 O ARG A 54 8.913 7.711 -1.618 1.00 0.00 O ATOM 831 CB ARG A 54 9.634 9.878 0.690 1.00 0.00 C ATOM 832 CG ARG A 54 10.865 9.281 1.367 1.00 0.00 C ATOM 833 CD ARG A 54 10.740 9.473 2.877 1.00 0.00 C ATOM 834 NE ARG A 54 11.835 8.810 3.587 1.00 0.00 N ATOM 835 CZ ARG A 54 11.892 8.701 4.921 1.00 0.00 C ATOM 836 NH1 ARG A 54 10.945 9.267 5.680 1.00 0.00 N ATOM 837 NH2 ARG A 54 12.883 8.007 5.493 1.00 0.00 N ATOM 0 H ARG A 54 7.751 9.826 -1.437 1.00 0.00 H new ATOM 0 HA ARG A 54 10.649 10.351 -1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.510 10.914 1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.742 9.339 1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.950 8.221 1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.770 9.765 0.999 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.742 10.537 3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.786 9.073 3.219 1.00 0.00 H new ATOM 0 HE ARG A 54 12.595 8.410 3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.180 9.781 5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.988 9.184 6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.594 7.561 4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.927 7.924 6.509 1.00 0.00 H new ATOM 851 N THR A 55 11.144 7.876 -1.312 1.00 0.00 N ATOM 852 CA THR A 55 11.450 6.500 -1.658 1.00 0.00 C ATOM 853 C THR A 55 10.737 5.580 -0.675 1.00 0.00 C ATOM 854 O THR A 55 10.962 5.669 0.530 1.00 0.00 O ATOM 855 CB THR A 55 12.964 6.305 -1.587 1.00 0.00 C ATOM 856 OG1 THR A 55 13.593 7.234 -2.441 1.00 0.00 O ATOM 857 CG2 THR A 55 13.341 4.892 -2.016 1.00 0.00 C ATOM 0 H THR A 55 11.965 8.428 -1.064 1.00 0.00 H new ATOM 0 HA THR A 55 11.112 6.265 -2.667 1.00 0.00 H new ATOM 0 HB THR A 55 13.291 6.460 -0.559 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.565 7.113 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.423 4.771 -1.959 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.860 4.171 -1.355 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.010 4.722 -3.041 1.00 0.00 H new ATOM 865 N LEU A 56 9.843 4.726 -1.180 1.00 0.00 N ATOM 866 CA LEU A 56 9.034 3.889 -0.314 1.00 0.00 C ATOM 867 C LEU A 56 9.908 2.925 0.483 1.00 0.00 C ATOM 868 O LEU A 56 9.597 2.628 1.635 1.00 0.00 O ATOM 869 CB LEU A 56 7.985 3.146 -1.148 1.00 0.00 C ATOM 870 CG LEU A 56 8.620 2.202 -2.172 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.779 0.801 -1.583 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.698 2.108 -3.385 1.00 0.00 C ATOM 0 H LEU A 56 9.668 4.602 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 56 8.514 4.519 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.335 2.575 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.356 3.870 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 56 9.600 2.589 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.232 0.144 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.418 0.847 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.801 0.411 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.137 1.438 -4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.727 1.720 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.570 3.098 -3.823 1.00 0.00 H new ATOM 884 N SER A 57 11.038 2.501 -0.087 1.00 0.00 N ATOM 885 CA SER A 57 11.919 1.568 0.593 1.00 0.00 C ATOM 886 C SER A 57 12.697 2.279 1.692 1.00 0.00 C ATOM 887 O SER A 57 13.186 1.636 2.619 1.00 0.00 O ATOM 888 CB SER A 57 12.878 0.947 -0.419 1.00 0.00 C ATOM 889 OG SER A 57 12.137 0.226 -1.377 1.00 0.00 O ATOM 0 H SER A 57 11.357 2.790 -1.012 1.00 0.00 H new ATOM 0 HA SER A 57 11.322 0.780 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.465 1.725 -0.906 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.582 0.286 0.087 1.00 0.00 H new ATOM 0 HG SER A 57 12.605 -0.607 -1.594 1.00 0.00 H new ATOM 895 N ASP A 58 12.792 3.608 1.606 1.00 0.00 N ATOM 896 CA ASP A 58 13.470 4.387 2.623 1.00 0.00 C ATOM 897 C ASP A 58 12.469 4.838 3.677 1.00 0.00 C ATOM 898 O ASP A 58 12.854 5.186 4.791 1.00 0.00 O ATOM 899 CB ASP A 58 14.132 5.600 1.975 1.00 0.00 C ATOM 900 CG ASP A 58 14.897 6.416 3.009 1.00 0.00 C ATOM 901 OD1 ASP A 58 14.486 7.574 3.237 1.00 0.00 O ATOM 902 OD2 ASP A 58 15.856 5.854 3.580 1.00 0.00 O ATOM 0 H ASP A 58 12.405 4.159 0.840 1.00 0.00 H new ATOM 0 HA ASP A 58 14.234 3.775 3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.812 5.272 1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.374 6.224 1.501 1.00 0.00 H new ATOM 907 N TYR A 59 11.179 4.796 3.334 1.00 0.00 N ATOM 908 CA TYR A 59 10.131 5.233 4.233 1.00 0.00 C ATOM 909 C TYR A 59 9.919 4.203 5.335 1.00 0.00 C ATOM 910 O TYR A 59 10.199 4.478 6.500 1.00 0.00 O ATOM 911 CB TYR A 59 8.846 5.469 3.440 1.00 0.00 C ATOM 912 CG TYR A 59 8.026 6.631 3.953 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.439 7.522 3.046 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.872 6.828 5.332 1.00 0.00 C ATOM 915 CE1 TYR A 59 6.694 8.613 3.513 1.00 0.00 C ATOM 916 CE2 TYR A 59 7.127 7.915 5.807 1.00 0.00 C ATOM 917 CZ TYR A 59 6.533 8.812 4.898 1.00 0.00 C ATOM 918 OH TYR A 59 5.805 9.871 5.354 1.00 0.00 O ATOM 0 H TYR A 59 10.843 4.460 2.431 1.00 0.00 H new ATOM 0 HA TYR A 59 10.423 6.170 4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.101 5.647 2.395 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.239 4.564 3.470 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.561 7.368 1.984 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.328 6.141 6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.244 9.300 2.812 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.008 8.065 6.870 1.00 0.00 H new ATOM 0 HH TYR A 59 5.792 9.861 6.334 1.00 0.00 H new ATOM 928 N ASN A 60 9.392 3.028 4.974 1.00 0.00 N ATOM 929 CA ASN A 60 9.120 1.979 5.943 1.00 0.00 C ATOM 930 C ASN A 60 9.034 0.619 5.259 1.00 0.00 C ATOM 931 O ASN A 60 9.169 -0.407 5.922 1.00 0.00 O ATOM 932 CB ASN A 60 7.802 2.274 6.659 1.00 0.00 C ATOM 933 CG ASN A 60 8.012 3.225 7.826 1.00 0.00 C ATOM 934 OD1 ASN A 60 8.691 2.884 8.792 1.00 0.00 O ATOM 935 ND2 ASN A 60 7.398 4.407 7.756 1.00 0.00 N ATOM 0 H ASN A 60 9.147 2.786 4.014 1.00 0.00 H new ATOM 0 HA ASN A 60 9.936 1.954 6.665 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.092 2.709 5.955 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.364 1.343 7.019 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.482 5.072 8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.845 4.646 6.933 1.00 0.00 H new ATOM 942 N ILE A 61 8.714 0.598 3.961 1.00 0.00 N ATOM 943 CA ILE A 61 8.534 -0.656 3.250 1.00 0.00 C ATOM 944 C ILE A 61 9.787 -1.509 3.411 1.00 0.00 C ATOM 945 O ILE A 61 10.903 -1.016 3.255 1.00 0.00 O ATOM 946 CB ILE A 61 8.248 -0.385 1.768 1.00 0.00 C ATOM 947 CG1 ILE A 61 6.777 -0.010 1.569 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.522 -1.656 0.964 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.526 1.430 2.013 1.00 0.00 C ATOM 0 H ILE A 61 8.577 1.433 3.391 1.00 0.00 H new ATOM 0 HA ILE A 61 7.683 -1.194 3.666 1.00 0.00 H new ATOM 0 HB ILE A 61 8.886 0.434 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.505 -0.126 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.142 -0.688 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.320 -1.470 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.565 -1.947 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.876 -2.458 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.475 1.679 1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.778 1.534 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.146 2.106 1.424 1.00 0.00 H new ATOM 961 N GLN A 62 9.595 -2.796 3.710 1.00 0.00 N ATOM 962 CA GLN A 62 10.690 -3.736 3.852 1.00 0.00 C ATOM 963 C GLN A 62 10.337 -5.029 3.127 1.00 0.00 C ATOM 964 O GLN A 62 9.202 -5.210 2.691 1.00 0.00 O ATOM 965 CB GLN A 62 10.961 -3.982 5.336 1.00 0.00 C ATOM 966 CG GLN A 62 11.730 -2.795 5.917 1.00 0.00 C ATOM 967 CD GLN A 62 11.927 -2.945 7.420 1.00 0.00 C ATOM 968 OE1 GLN A 62 12.136 -4.049 7.918 1.00 0.00 O ATOM 969 NE2 GLN A 62 11.852 -1.829 8.146 1.00 0.00 N ATOM 0 H GLN A 62 8.674 -3.208 3.859 1.00 0.00 H new ATOM 0 HA GLN A 62 11.598 -3.331 3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.021 -4.117 5.871 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.535 -4.899 5.465 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.700 -2.713 5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.189 -1.872 5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.677 -0.934 7.689 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.970 -1.870 9.158 1.00 0.00 H new ATOM 978 N LYS A 63 11.326 -5.912 2.971 1.00 0.00 N ATOM 979 CA LYS A 63 11.155 -7.158 2.250 1.00 0.00 C ATOM 980 C LYS A 63 10.138 -8.055 2.944 1.00 0.00 C ATOM 981 O LYS A 63 10.299 -8.402 4.112 1.00 0.00 O ATOM 982 CB LYS A 63 12.506 -7.861 2.099 1.00 0.00 C ATOM 983 CG LYS A 63 13.173 -8.080 3.456 1.00 0.00 C ATOM 984 CD LYS A 63 14.543 -8.714 3.238 1.00 0.00 C ATOM 985 CE LYS A 63 15.253 -8.873 4.579 1.00 0.00 C ATOM 986 NZ LYS A 63 16.599 -9.438 4.399 1.00 0.00 N ATOM 0 H LYS A 63 12.265 -5.775 3.344 1.00 0.00 H new ATOM 0 HA LYS A 63 10.767 -6.938 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.365 -8.821 1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.159 -7.265 1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.276 -7.131 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.554 -8.725 4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.433 -9.685 2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.140 -8.093 2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.324 -7.904 5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.667 -9.521 5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.061 -9.536 5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.526 -10.372 3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.163 -8.806 3.796 1.00 0.00 H new ATOM 1000 N GLU A 64 9.098 -8.441 2.201 1.00 0.00 N ATOM 1001 CA GLU A 64 8.063 -9.342 2.673 1.00 0.00 C ATOM 1002 C GLU A 64 7.564 -8.934 4.057 1.00 0.00 C ATOM 1003 O GLU A 64 7.315 -9.792 4.902 1.00 0.00 O ATOM 1004 CB GLU A 64 8.592 -10.779 2.665 1.00 0.00 C ATOM 1005 CG GLU A 64 8.927 -11.215 1.239 1.00 0.00 C ATOM 1006 CD GLU A 64 10.286 -10.679 0.817 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.308 -9.844 -0.114 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.288 -11.183 1.368 1.00 0.00 O ATOM 0 H GLU A 64 8.956 -8.127 1.241 1.00 0.00 H new ATOM 0 HA GLU A 64 7.208 -9.283 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.481 -10.850 3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.847 -11.450 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.925 -12.303 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.160 -10.855 0.554 1.00 0.00 H new ATOM 1015 N SER A 65 7.360 -7.630 4.268 1.00 0.00 N ATOM 1016 CA SER A 65 6.820 -7.136 5.523 1.00 0.00 C ATOM 1017 C SER A 65 5.336 -6.834 5.350 1.00 0.00 C ATOM 1018 O SER A 65 4.834 -6.803 4.227 1.00 0.00 O ATOM 1019 CB SER A 65 7.584 -5.885 5.947 1.00 0.00 C ATOM 1020 OG SER A 65 8.910 -6.238 6.269 1.00 0.00 O ATOM 0 H SER A 65 7.563 -6.903 3.581 1.00 0.00 H new ATOM 0 HA SER A 65 6.933 -7.891 6.302 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.576 -5.150 5.143 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.099 -5.422 6.807 1.00 0.00 H new ATOM 0 HG SER A 65 9.205 -5.723 7.049 1.00 0.00 H new ATOM 1026 N THR A 66 4.632 -6.612 6.463 1.00 0.00 N ATOM 1027 CA THR A 66 3.199 -6.393 6.432 1.00 0.00 C ATOM 1028 C THR A 66 2.882 -4.911 6.591 1.00 0.00 C ATOM 1029 O THR A 66 3.421 -4.249 7.475 1.00 0.00 O ATOM 1030 CB THR A 66 2.542 -7.212 7.543 1.00 0.00 C ATOM 1031 OG1 THR A 66 2.943 -8.560 7.436 1.00 0.00 O ATOM 1032 CG2 THR A 66 1.022 -7.123 7.435 1.00 0.00 C ATOM 0 H THR A 66 5.041 -6.581 7.397 1.00 0.00 H new ATOM 0 HA THR A 66 2.803 -6.716 5.469 1.00 0.00 H new ATOM 0 HB THR A 66 2.853 -6.812 8.508 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.523 -9.084 8.150 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.566 -7.710 8.232 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.711 -6.082 7.528 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.702 -7.513 6.468 1.00 0.00 H new ATOM 1040 N LEU A 67 1.982 -4.405 5.744 1.00 0.00 N ATOM 1041 CA LEU A 67 1.511 -3.033 5.818 1.00 0.00 C ATOM 1042 C LEU A 67 0.027 -3.043 6.160 1.00 0.00 C ATOM 1043 O LEU A 67 -0.590 -4.105 6.217 1.00 0.00 O ATOM 1044 CB LEU A 67 1.756 -2.326 4.484 1.00 0.00 C ATOM 1045 CG LEU A 67 3.111 -1.615 4.485 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.260 -2.618 4.396 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.178 -0.684 3.276 1.00 0.00 C ATOM 0 H LEU A 67 1.562 -4.944 4.987 1.00 0.00 H new ATOM 0 HA LEU A 67 2.054 -2.491 6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.722 -3.052 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.961 -1.603 4.299 1.00 0.00 H new ATOM 0 HG LEU A 67 3.209 -1.055 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.210 -2.084 4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.221 -3.293 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.170 -3.194 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.140 -0.171 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.067 -1.267 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.375 0.051 3.338 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.551 -1.858 6.363 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.950 -1.737 6.729 1.00 0.00 C ATOM 1061 C HIS A 68 -2.643 -0.756 5.794 1.00 0.00 C ATOM 1062 O HIS A 68 -2.137 0.339 5.556 1.00 0.00 O ATOM 1063 CB HIS A 68 -2.055 -1.277 8.181 1.00 0.00 C ATOM 1064 CG HIS A 68 -3.480 -1.177 8.652 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.340 -2.228 8.848 1.00 0.00 N ATOM 1066 CD2 HIS A 68 -4.147 -0.023 8.946 1.00 0.00 C ATOM 1067 CE1 HIS A 68 -5.514 -1.713 9.257 1.00 0.00 C ATOM 1068 NE2 HIS A 68 -5.447 -0.368 9.335 1.00 0.00 N ATOM 0 H HIS A 68 -0.062 -0.967 6.278 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.443 -2.704 6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.513 -1.974 8.820 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.572 -0.306 8.287 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.744 0.977 8.889 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.391 -2.298 9.491 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.192 0.268 9.619 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.798 -1.156 5.256 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.543 -0.323 4.332 1.00 0.00 C ATOM 1078 C LEU A 69 -5.961 -0.124 4.855 1.00 0.00 C ATOM 1079 O LEU A 69 -6.541 -1.036 5.440 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.561 -0.996 2.957 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.095 -0.040 1.889 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -4.012 0.965 1.510 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.488 -0.832 0.646 1.00 0.00 C ATOM 0 H LEU A 69 -4.232 -2.058 5.451 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.069 0.654 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.554 -1.318 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.182 -1.891 2.994 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.964 0.486 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.396 1.644 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.720 1.536 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.144 0.434 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.868 -0.150 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.615 -1.358 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.262 -1.555 0.905 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.536 1.051 4.589 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.897 1.366 4.984 1.00 0.00 C ATOM 1097 C ALA A 70 -8.667 1.829 3.757 1.00 0.00 C ATOM 1098 O ALA A 70 -8.098 2.487 2.889 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.877 2.444 6.064 1.00 0.00 C ATOM 0 H ALA A 70 -6.064 1.807 4.093 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.390 0.485 5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.899 2.681 6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.322 2.082 6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.395 3.341 5.674 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.947 1.457 3.664 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.746 1.759 2.490 1.00 0.00 C ATOM 1107 C LEU A 71 -11.935 2.636 2.866 1.00 0.00 C ATOM 1108 O LEU A 71 -12.158 2.928 4.040 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.241 0.460 1.843 1.00 0.00 C ATOM 1110 CG LEU A 71 -10.125 -0.351 1.171 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.248 0.548 0.301 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -9.259 -1.069 2.205 1.00 0.00 C ATOM 0 H LEU A 71 -10.446 0.946 4.393 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.124 2.300 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.720 -0.156 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.003 0.700 1.101 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.604 -1.100 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.464 -0.049 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.859 1.013 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.795 1.323 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.478 -1.634 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.802 -0.335 2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.878 -1.750 2.788 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.691 3.061 1.851 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.870 3.892 2.022 1.00 0.00 C ATOM 1126 C ARG A 72 -15.010 3.081 2.627 1.00 0.00 C ATOM 1127 O ARG A 72 -14.917 1.861 2.743 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.286 4.450 0.661 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.589 3.298 -0.299 1.00 0.00 C ATOM 1130 CD ARG A 72 -15.041 3.851 -1.647 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.295 4.598 -1.522 1.00 0.00 N ATOM 1132 CZ ARG A 72 -16.782 5.384 -2.491 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.108 5.525 -3.641 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -17.937 6.037 -2.306 1.00 0.00 N ATOM 0 H ARG A 72 -12.493 2.831 0.877 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.639 4.713 2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.165 5.085 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.490 5.075 0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.702 2.679 -0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.366 2.658 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.267 4.501 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.172 3.031 -2.353 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.824 4.515 -0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.225 5.034 -3.778 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.479 6.123 -4.379 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.445 5.936 -1.427 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.308 6.636 -3.044 1.00 0.00 H new ATOM 1148 N LEU A 73 -16.091 3.767 3.012 1.00 0.00 N ATOM 1149 CA LEU A 73 -17.277 3.114 3.536 1.00 0.00 C ATOM 1150 C LEU A 73 -18.026 2.432 2.396 1.00 0.00 C ATOM 1151 O LEU A 73 -17.730 2.670 1.227 1.00 0.00 O ATOM 1152 CB LEU A 73 -18.174 4.150 4.213 1.00 0.00 C ATOM 1153 CG LEU A 73 -17.454 4.799 5.396 1.00 0.00 C ATOM 1154 CD1 LEU A 73 -18.345 5.885 5.992 1.00 0.00 C ATOM 1155 CD2 LEU A 73 -17.153 3.753 6.470 1.00 0.00 C ATOM 0 H LEU A 73 -16.161 4.784 2.967 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.989 2.363 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.462 4.915 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.092 3.674 4.557 1.00 0.00 H new ATOM 0 HG LEU A 73 -16.517 5.232 5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.836 6.351 6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.556 6.639 5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.281 5.442 6.332 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -16.640 4.228 7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -18.086 3.311 6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.517 2.973 6.050 1.00 0.00 H new ATOM 1167 N ARG A 74 -19.013 1.598 2.736 1.00 0.00 N ATOM 1168 CA ARG A 74 -19.805 0.902 1.738 1.00 0.00 C ATOM 1169 C ARG A 74 -20.714 1.886 1.010 1.00 0.00 C ATOM 1170 O ARG A 74 -20.983 1.719 -0.177 1.00 0.00 O ATOM 1171 CB ARG A 74 -20.631 -0.194 2.412 1.00 0.00 C ATOM 1172 CG ARG A 74 -21.332 -1.028 1.341 1.00 0.00 C ATOM 1173 CD ARG A 74 -22.015 -2.240 1.971 1.00 0.00 C ATOM 1174 NE ARG A 74 -23.113 -1.835 2.849 1.00 0.00 N ATOM 1175 CZ ARG A 74 -24.035 -2.687 3.316 1.00 0.00 C ATOM 1176 NH1 ARG A 74 -23.956 -3.990 3.019 1.00 0.00 N ATOM 1177 NH2 ARG A 74 -25.044 -2.233 4.068 1.00 0.00 N ATOM 0 H ARG A 74 -19.277 1.393 3.700 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.140 0.443 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -19.987 -0.829 3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -21.366 0.250 3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -22.069 -0.417 0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -20.608 -1.357 0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -22.396 -2.894 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.285 -2.816 2.540 1.00 0.00 H new ATOM 0 HE ARG A 74 -23.180 -0.854 3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -23.193 -4.335 2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -24.659 -4.638 3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -25.111 -1.239 4.285 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -25.747 -2.881 4.424 1.00 0.00 H new ATOM 1191 N GLY A 75 -21.201 2.901 1.728 1.00 0.00 N ATOM 1192 CA GLY A 75 -22.085 3.897 1.151 1.00 0.00 C ATOM 1193 C GLY A 75 -23.538 3.579 1.486 1.00 0.00 C ATOM 1194 O GLY A 75 -24.444 4.286 1.049 1.00 0.00 O ATOM 0 H GLY A 75 -20.992 3.048 2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.826 4.885 1.531 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -21.953 3.926 0.069 1.00 0.00 H new ATOM 1198 N GLY A 76 -23.761 2.512 2.257 1.00 0.00 N ATOM 1199 CA GLY A 76 -25.094 2.104 2.654 1.00 0.00 C ATOM 1200 C GLY A 76 -25.007 0.926 3.612 1.00 0.00 C ATOM 1201 O GLY A 76 -23.863 0.564 3.965 1.00 0.00 O ATOM 0 H GLY A 76 -23.019 1.913 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -25.612 2.936 3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -25.677 1.828 1.775 1.00 0.00 H new TER 1205 GLY A 76