USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 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 GLY N :NH3+ -173:sc= 0 (180deg=-0.0425) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -59:sc= 1.08 USER MOD Single : A 9 THR OG1 : rot 163:sc= -1.38! USER MOD Single : A 12 GLN : amide:sc= -2.93 X(o=-2.9,f=-2.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0817 K(o=-0.082,f=-1.5) USER MOD Single : A 23 SER OG : rot 59:sc= 1.12 USER MOD Single : A 28 LYS NZ :NH3+ 148:sc= 0.162 (180deg=0.000574) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.26) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -171:sc= 0.27 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc=-0.00682 X(o=-0.0068,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.359 -12.880 -2.602 1.00 0.00 N ATOM 2 CA GLY A 1 -5.173 -13.434 -3.719 1.00 0.00 C ATOM 3 C GLY A 1 -4.950 -12.694 -5.023 1.00 0.00 C ATOM 4 O GLY A 1 -4.907 -13.303 -6.092 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.456 -13.491 -1.766 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.360 -12.840 -2.887 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.692 -11.922 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.927 -14.487 -3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.229 -13.385 -3.453 1.00 0.00 H new ATOM 9 N SER A 2 -4.810 -11.375 -4.935 1.00 0.00 N ATOM 10 CA SER A 2 -4.590 -10.549 -6.116 1.00 0.00 C ATOM 11 C SER A 2 -3.389 -9.628 -5.920 1.00 0.00 C ATOM 12 O SER A 2 -2.548 -9.492 -6.808 1.00 0.00 O ATOM 13 CB SER A 2 -5.838 -9.720 -6.424 1.00 0.00 C ATOM 14 OG SER A 2 -6.741 -10.441 -7.245 1.00 0.00 O ATOM 0 H SER A 2 -4.845 -10.856 -4.058 1.00 0.00 H new ATOM 0 HA SER A 2 -4.385 -11.210 -6.958 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.332 -9.441 -5.493 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.549 -8.794 -6.922 1.00 0.00 H new ATOM 0 HG SER A 2 -7.531 -9.889 -7.426 1.00 0.00 H new ATOM 20 N ALA A 3 -3.317 -8.998 -4.752 1.00 0.00 N ATOM 21 CA ALA A 3 -2.221 -8.091 -4.438 1.00 0.00 C ATOM 22 C ALA A 3 -1.014 -8.842 -3.899 1.00 0.00 C ATOM 23 O ALA A 3 -1.150 -9.857 -3.217 1.00 0.00 O ATOM 24 CB ALA A 3 -2.669 -7.042 -3.437 1.00 0.00 C ATOM 0 H ALA A 3 -4.006 -9.100 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.927 -7.598 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.838 -6.373 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.494 -6.467 -3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.997 -7.531 -2.520 1.00 0.00 H new ATOM 30 N ASP A 4 0.166 -8.323 -4.204 1.00 0.00 N ATOM 31 CA ASP A 4 1.410 -8.923 -3.750 1.00 0.00 C ATOM 32 C ASP A 4 2.441 -7.836 -3.484 1.00 0.00 C ATOM 33 O ASP A 4 3.625 -7.997 -3.780 1.00 0.00 O ATOM 34 CB ASP A 4 1.940 -9.913 -4.787 1.00 0.00 C ATOM 35 CG ASP A 4 1.145 -11.203 -4.815 1.00 0.00 C ATOM 36 OD1 ASP A 4 1.176 -11.941 -3.808 1.00 0.00 O ATOM 37 OD2 ASP A 4 0.493 -11.476 -5.844 1.00 0.00 O ATOM 0 H ASP A 4 0.287 -7.482 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 4 1.219 -9.467 -2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.912 -9.451 -5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.984 -10.138 -4.570 1.00 0.00 H new ATOM 42 N TYR A 5 1.974 -6.723 -2.927 1.00 0.00 N ATOM 43 CA TYR A 5 2.846 -5.595 -2.622 1.00 0.00 C ATOM 44 C TYR A 5 4.011 -6.027 -1.744 1.00 0.00 C ATOM 45 O TYR A 5 5.079 -5.414 -1.763 1.00 0.00 O ATOM 46 CB TYR A 5 2.062 -4.494 -1.918 1.00 0.00 C ATOM 47 CG TYR A 5 0.797 -4.099 -2.633 1.00 0.00 C ATOM 48 CD1 TYR A 5 -0.424 -4.675 -2.304 1.00 0.00 C ATOM 49 CD2 TYR A 5 0.821 -3.133 -3.625 1.00 0.00 C ATOM 50 CE1 TYR A 5 -1.582 -4.299 -2.947 1.00 0.00 C ATOM 51 CE2 TYR A 5 -0.330 -2.753 -4.275 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.533 -3.336 -3.935 1.00 0.00 C ATOM 53 OH TYR A 5 -2.687 -2.956 -4.580 1.00 0.00 O ATOM 0 H TYR A 5 0.996 -6.578 -2.678 1.00 0.00 H new ATOM 0 HA TYR A 5 3.240 -5.214 -3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.811 -4.826 -0.911 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.699 -3.616 -1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.465 -5.429 -1.532 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.759 -2.670 -3.893 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.524 -4.755 -2.680 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.292 -2.001 -5.049 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.449 -3.053 -3.971 1.00 0.00 H new ATOM 63 N SER A 6 3.797 -7.087 -0.977 1.00 0.00 N ATOM 64 CA SER A 6 4.821 -7.612 -0.088 1.00 0.00 C ATOM 65 C SER A 6 6.138 -7.825 -0.836 1.00 0.00 C ATOM 66 O SER A 6 7.211 -7.828 -0.234 1.00 0.00 O ATOM 67 CB SER A 6 4.332 -8.916 0.541 1.00 0.00 C ATOM 68 OG SER A 6 4.663 -10.033 -0.266 1.00 0.00 O ATOM 0 H SER A 6 2.917 -7.602 -0.954 1.00 0.00 H new ATOM 0 HA SER A 6 5.008 -6.886 0.703 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.776 -9.034 1.529 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.252 -8.872 0.680 1.00 0.00 H new ATOM 0 HG SER A 6 4.339 -10.853 0.162 1.00 0.00 H new ATOM 74 N SER A 7 6.047 -7.988 -2.155 1.00 0.00 N ATOM 75 CA SER A 7 7.229 -8.184 -2.988 1.00 0.00 C ATOM 76 C SER A 7 7.610 -6.884 -3.696 1.00 0.00 C ATOM 77 O SER A 7 8.771 -6.676 -4.049 1.00 0.00 O ATOM 78 CB SER A 7 6.976 -9.285 -4.019 1.00 0.00 C ATOM 79 OG SER A 7 5.994 -8.889 -4.960 1.00 0.00 O ATOM 0 H SER A 7 5.166 -7.988 -2.669 1.00 0.00 H new ATOM 0 HA SER A 7 8.055 -8.485 -2.344 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.905 -9.522 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.652 -10.194 -3.512 1.00 0.00 H new ATOM 0 HG SER A 7 5.158 -8.680 -4.493 1.00 0.00 H new ATOM 85 N LEU A 8 6.624 -6.010 -3.895 1.00 0.00 N ATOM 86 CA LEU A 8 6.849 -4.726 -4.556 1.00 0.00 C ATOM 87 C LEU A 8 7.901 -3.911 -3.805 1.00 0.00 C ATOM 88 O LEU A 8 8.635 -4.445 -2.973 1.00 0.00 O ATOM 89 CB LEU A 8 5.535 -3.941 -4.634 1.00 0.00 C ATOM 90 CG LEU A 8 4.931 -3.809 -6.034 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.742 -4.741 -6.188 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.512 -2.370 -6.302 1.00 0.00 C ATOM 0 H LEU A 8 5.659 -6.169 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 8 7.214 -4.915 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.804 -4.424 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.705 -2.941 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 8 5.691 -4.090 -6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.324 -4.635 -7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.065 -5.771 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.982 -4.487 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.085 -2.296 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.768 -2.065 -5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.383 -1.718 -6.230 1.00 0.00 H new ATOM 104 N THR A 9 7.963 -2.612 -4.094 1.00 0.00 N ATOM 105 CA THR A 9 8.919 -1.732 -3.432 1.00 0.00 C ATOM 106 C THR A 9 8.194 -0.700 -2.577 1.00 0.00 C ATOM 107 O THR A 9 7.028 -0.388 -2.811 1.00 0.00 O ATOM 108 CB THR A 9 9.824 -1.023 -4.449 1.00 0.00 C ATOM 109 OG1 THR A 9 10.266 0.226 -3.938 1.00 0.00 O ATOM 110 CG2 THR A 9 9.158 -0.758 -5.783 1.00 0.00 C ATOM 0 H THR A 9 7.365 -2.149 -4.779 1.00 0.00 H new ATOM 0 HA THR A 9 9.545 -2.351 -2.790 1.00 0.00 H new ATOM 0 HB THR A 9 10.655 -1.709 -4.613 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.038 0.536 -4.456 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.861 -0.255 -6.447 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.850 -1.703 -6.230 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.283 -0.125 -5.634 1.00 0.00 H new ATOM 118 N VAL A 10 8.900 -0.174 -1.587 1.00 0.00 N ATOM 119 CA VAL A 10 8.336 0.825 -0.692 1.00 0.00 C ATOM 120 C VAL A 10 7.914 2.073 -1.453 1.00 0.00 C ATOM 121 O VAL A 10 6.969 2.753 -1.064 1.00 0.00 O ATOM 122 CB VAL A 10 9.353 1.237 0.385 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.589 0.101 1.370 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.654 1.677 -0.272 1.00 0.00 C ATOM 0 H VAL A 10 9.868 -0.424 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 10 7.463 0.371 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 10 8.949 2.079 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.312 0.416 2.122 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.649 -0.160 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.975 -0.768 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.370 1.967 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.063 0.853 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.461 2.526 -0.928 1.00 0.00 H new ATOM 134 N VAL A 11 8.633 2.376 -2.530 1.00 0.00 N ATOM 135 CA VAL A 11 8.344 3.557 -3.335 1.00 0.00 C ATOM 136 C VAL A 11 7.037 3.407 -4.099 1.00 0.00 C ATOM 137 O VAL A 11 6.218 4.327 -4.140 1.00 0.00 O ATOM 138 CB VAL A 11 9.489 3.850 -4.327 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.828 3.776 -3.619 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.458 2.883 -5.504 1.00 0.00 C ATOM 0 H VAL A 11 9.420 1.820 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 11 8.249 4.395 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 11 9.350 4.858 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.627 3.985 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.856 4.512 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.964 2.778 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.276 3.114 -6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.567 1.862 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.508 2.981 -6.030 1.00 0.00 H new ATOM 150 N GLN A 12 6.843 2.242 -4.698 1.00 0.00 N ATOM 151 CA GLN A 12 5.630 1.982 -5.456 1.00 0.00 C ATOM 152 C GLN A 12 4.463 1.789 -4.512 1.00 0.00 C ATOM 153 O GLN A 12 3.364 2.283 -4.755 1.00 0.00 O ATOM 154 CB GLN A 12 5.794 0.745 -6.341 1.00 0.00 C ATOM 155 CG GLN A 12 6.084 1.072 -7.796 1.00 0.00 C ATOM 156 CD GLN A 12 7.569 1.126 -8.099 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.171 2.199 -8.117 1.00 0.00 O ATOM 158 NE2 GLN A 12 8.166 -0.034 -8.344 1.00 0.00 N ATOM 0 H GLN A 12 7.505 1.467 -4.674 1.00 0.00 H new ATOM 0 HA GLN A 12 5.437 2.841 -6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.604 0.131 -5.947 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.885 0.146 -6.286 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.614 0.323 -8.433 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.631 2.032 -8.046 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.628 -0.900 -8.318 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.163 -0.059 -8.558 1.00 0.00 H new ATOM 167 N LEU A 13 4.718 1.066 -3.429 1.00 0.00 N ATOM 168 CA LEU A 13 3.695 0.795 -2.436 1.00 0.00 C ATOM 169 C LEU A 13 3.084 2.088 -1.908 1.00 0.00 C ATOM 170 O LEU A 13 1.873 2.282 -1.969 1.00 0.00 O ATOM 171 CB LEU A 13 4.271 -0.031 -1.285 1.00 0.00 C ATOM 172 CG LEU A 13 3.900 -1.515 -1.311 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.987 -2.321 -1.999 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.665 -2.035 0.098 1.00 0.00 C ATOM 0 H LEU A 13 5.628 0.657 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 13 2.904 0.220 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.357 0.058 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.930 0.398 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 13 2.974 -1.627 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.708 -3.375 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.109 -1.968 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.926 -2.200 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.402 -3.092 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.573 -1.909 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.851 -1.477 0.561 1.00 0.00 H new ATOM 186 N LYS A 14 3.925 2.972 -1.390 1.00 0.00 N ATOM 187 CA LYS A 14 3.447 4.238 -0.854 1.00 0.00 C ATOM 188 C LYS A 14 2.953 5.166 -1.961 1.00 0.00 C ATOM 189 O LYS A 14 2.039 5.961 -1.747 1.00 0.00 O ATOM 190 CB LYS A 14 4.546 4.925 -0.049 1.00 0.00 C ATOM 191 CG LYS A 14 5.717 5.392 -0.893 1.00 0.00 C ATOM 192 CD LYS A 14 6.744 6.150 -0.065 1.00 0.00 C ATOM 193 CE LYS A 14 6.092 7.214 0.807 1.00 0.00 C ATOM 194 NZ LYS A 14 6.905 8.460 0.868 1.00 0.00 N ATOM 0 H LYS A 14 4.934 2.838 -1.330 1.00 0.00 H new ATOM 0 HA LYS A 14 2.605 4.019 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.121 5.782 0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.910 4.237 0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.193 4.531 -1.363 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.353 6.033 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.292 5.449 0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.471 6.619 -0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.101 7.446 0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.953 6.822 1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.426 9.158 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.842 8.244 1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.016 8.849 -0.090 1.00 0.00 H new ATOM 208 N ASP A 15 3.551 5.063 -3.145 1.00 0.00 N ATOM 209 CA ASP A 15 3.146 5.903 -4.267 1.00 0.00 C ATOM 210 C ASP A 15 1.713 5.577 -4.672 1.00 0.00 C ATOM 211 O ASP A 15 0.853 6.459 -4.766 1.00 0.00 O ATOM 212 CB ASP A 15 4.094 5.699 -5.452 1.00 0.00 C ATOM 213 CG ASP A 15 3.723 6.555 -6.647 1.00 0.00 C ATOM 214 OD1 ASP A 15 3.273 5.989 -7.665 1.00 0.00 O ATOM 215 OD2 ASP A 15 3.882 7.791 -6.565 1.00 0.00 O ATOM 0 H ASP A 15 4.310 4.413 -3.351 1.00 0.00 H new ATOM 0 HA ASP A 15 3.195 6.948 -3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.112 5.934 -5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.084 4.649 -5.744 1.00 0.00 H new ATOM 220 N LEU A 16 1.454 4.294 -4.879 1.00 0.00 N ATOM 221 CA LEU A 16 0.129 3.841 -5.242 1.00 0.00 C ATOM 222 C LEU A 16 -0.824 4.085 -4.080 1.00 0.00 C ATOM 223 O LEU A 16 -2.016 4.331 -4.270 1.00 0.00 O ATOM 224 CB LEU A 16 0.173 2.355 -5.634 1.00 0.00 C ATOM 225 CG LEU A 16 -0.314 1.350 -4.577 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.292 0.361 -5.184 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.861 0.610 -3.964 1.00 0.00 C ATOM 0 H LEU A 16 2.148 3.551 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.233 4.401 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.428 2.222 -6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.200 2.102 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.826 1.907 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.623 -0.340 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.153 0.898 -5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.803 -0.186 -5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.497 -0.097 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.398 0.070 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.533 1.325 -3.489 1.00 0.00 H new ATOM 239 N LEU A 17 -0.278 4.006 -2.870 1.00 0.00 N ATOM 240 CA LEU A 17 -1.062 4.204 -1.664 1.00 0.00 C ATOM 241 C LEU A 17 -1.714 5.573 -1.652 1.00 0.00 C ATOM 242 O LEU A 17 -2.936 5.690 -1.563 1.00 0.00 O ATOM 243 CB LEU A 17 -0.157 4.085 -0.448 1.00 0.00 C ATOM 244 CG LEU A 17 -0.040 2.690 0.134 1.00 0.00 C ATOM 245 CD1 LEU A 17 0.995 2.679 1.250 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.400 2.219 0.628 1.00 0.00 C ATOM 0 H LEU A 17 0.708 3.805 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.842 3.443 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.839 4.433 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.527 4.755 0.328 1.00 0.00 H new ATOM 0 HG LEU A 17 0.294 1.998 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.074 1.674 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.963 2.984 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.691 3.371 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.308 1.216 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.763 2.900 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.104 2.203 -0.204 1.00 0.00 H new ATOM 258 N THR A 18 -0.893 6.609 -1.770 1.00 0.00 N ATOM 259 CA THR A 18 -1.411 7.968 -1.795 1.00 0.00 C ATOM 260 C THR A 18 -2.303 8.123 -3.013 1.00 0.00 C ATOM 261 O THR A 18 -3.274 8.881 -2.997 1.00 0.00 O ATOM 262 CB THR A 18 -0.286 9.018 -1.799 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.629 10.127 -2.610 1.00 0.00 O ATOM 264 CG2 THR A 18 1.046 8.493 -2.289 1.00 0.00 C ATOM 0 H THR A 18 0.121 6.535 -1.849 1.00 0.00 H new ATOM 0 HA THR A 18 -1.987 8.141 -0.886 1.00 0.00 H new ATOM 0 HB THR A 18 -0.177 9.306 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.101 10.781 -2.595 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.785 9.294 -2.261 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.373 7.675 -1.647 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.941 8.132 -3.312 1.00 0.00 H new ATOM 272 N LYS A 19 -1.980 7.374 -4.065 1.00 0.00 N ATOM 273 CA LYS A 19 -2.770 7.409 -5.280 1.00 0.00 C ATOM 274 C LYS A 19 -4.198 6.935 -4.999 1.00 0.00 C ATOM 275 O LYS A 19 -5.152 7.423 -5.604 1.00 0.00 O ATOM 276 CB LYS A 19 -2.130 6.539 -6.363 1.00 0.00 C ATOM 277 CG LYS A 19 -1.251 7.319 -7.327 1.00 0.00 C ATOM 278 CD LYS A 19 -0.095 6.474 -7.835 1.00 0.00 C ATOM 279 CE LYS A 19 -0.584 5.314 -8.689 1.00 0.00 C ATOM 280 NZ LYS A 19 -0.400 5.577 -10.142 1.00 0.00 N ATOM 0 H LYS A 19 -1.181 6.741 -4.095 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.805 8.438 -5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.533 5.761 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.917 6.037 -6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.850 7.663 -8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.862 8.207 -6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.583 7.097 -8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.475 6.089 -6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.045 4.408 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.639 5.132 -8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.746 4.763 -10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.935 6.427 -10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.610 5.725 -10.343 1.00 0.00 H new ATOM 294 N ARG A 20 -4.341 5.986 -4.064 1.00 0.00 N ATOM 295 CA ARG A 20 -5.663 5.467 -3.703 1.00 0.00 C ATOM 296 C ARG A 20 -6.367 6.393 -2.717 1.00 0.00 C ATOM 297 O ARG A 20 -7.567 6.256 -2.478 1.00 0.00 O ATOM 298 CB ARG A 20 -5.560 4.090 -3.047 1.00 0.00 C ATOM 299 CG ARG A 20 -4.611 3.121 -3.725 1.00 0.00 C ATOM 300 CD ARG A 20 -5.124 1.694 -3.602 1.00 0.00 C ATOM 301 NE ARG A 20 -4.353 0.749 -4.402 1.00 0.00 N ATOM 302 CZ ARG A 20 -4.663 0.409 -5.654 1.00 0.00 C ATOM 303 NH1 ARG A 20 -5.678 0.994 -6.278 1.00 0.00 N ATOM 304 NH2 ARG A 20 -3.951 -0.513 -6.288 1.00 0.00 N ATOM 0 H ARG A 20 -3.566 5.567 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.231 5.399 -4.631 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.242 4.221 -2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.554 3.642 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.504 3.385 -4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.621 3.197 -3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.092 1.389 -2.556 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.168 1.659 -3.912 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.528 0.323 -3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.227 1.709 -5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.909 0.729 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.165 -0.963 -5.818 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.189 -0.772 -7.245 1.00 0.00 H new ATOM 318 N ASN A 21 -5.605 7.316 -2.133 1.00 0.00 N ATOM 319 CA ASN A 21 -6.131 8.261 -1.149 1.00 0.00 C ATOM 320 C ASN A 21 -6.014 7.698 0.267 1.00 0.00 C ATOM 321 O ASN A 21 -6.268 8.404 1.244 1.00 0.00 O ATOM 322 CB ASN A 21 -7.589 8.632 -1.448 1.00 0.00 C ATOM 323 CG ASN A 21 -7.910 10.065 -1.071 1.00 0.00 C ATOM 324 OD1 ASN A 21 -7.118 10.738 -0.411 1.00 0.00 O ATOM 325 ND2 ASN A 21 -9.078 10.540 -1.490 1.00 0.00 N ATOM 0 H ASN A 21 -4.610 7.430 -2.327 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.528 9.167 -1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.788 8.485 -2.510 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.251 7.959 -0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.349 11.498 -1.267 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.704 9.947 -2.035 1.00 0.00 H new ATOM 332 N LEU A 22 -5.613 6.431 0.380 1.00 0.00 N ATOM 333 CA LEU A 22 -5.451 5.799 1.687 1.00 0.00 C ATOM 334 C LEU A 22 -4.400 6.549 2.499 1.00 0.00 C ATOM 335 O LEU A 22 -4.734 7.343 3.378 1.00 0.00 O ATOM 336 CB LEU A 22 -5.035 4.331 1.535 1.00 0.00 C ATOM 337 CG LEU A 22 -6.009 3.445 0.755 1.00 0.00 C ATOM 338 CD1 LEU A 22 -5.258 2.611 -0.272 1.00 0.00 C ATOM 339 CD2 LEU A 22 -6.787 2.546 1.704 1.00 0.00 C ATOM 0 H LEU A 22 -5.396 5.827 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.408 5.836 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.064 4.296 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.901 3.905 2.529 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.717 4.086 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.964 1.986 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.741 3.271 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.530 1.978 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.475 1.923 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.093 1.910 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.351 3.160 2.406 1.00 0.00 H new ATOM 351 N SER A 23 -3.130 6.297 2.169 1.00 0.00 N ATOM 352 CA SER A 23 -1.985 6.935 2.820 1.00 0.00 C ATOM 353 C SER A 23 -0.807 5.984 2.898 1.00 0.00 C ATOM 354 O SER A 23 -0.875 4.843 2.444 1.00 0.00 O ATOM 355 CB SER A 23 -2.298 7.432 4.229 1.00 0.00 C ATOM 356 OG SER A 23 -2.937 8.697 4.202 1.00 0.00 O ATOM 0 H SER A 23 -2.867 5.638 1.436 1.00 0.00 H new ATOM 0 HA SER A 23 -1.739 7.798 2.201 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.938 6.710 4.737 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.375 7.501 4.805 1.00 0.00 H new ATOM 0 HG SER A 23 -3.766 8.634 3.683 1.00 0.00 H new ATOM 362 N VAL A 24 0.275 6.478 3.474 1.00 0.00 N ATOM 363 CA VAL A 24 1.491 5.705 3.617 1.00 0.00 C ATOM 364 C VAL A 24 2.037 5.781 5.044 1.00 0.00 C ATOM 365 O VAL A 24 3.087 5.214 5.343 1.00 0.00 O ATOM 366 CB VAL A 24 2.551 6.215 2.629 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.919 6.440 1.265 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.177 7.501 3.148 1.00 0.00 C ATOM 0 H VAL A 24 0.333 7.423 3.854 1.00 0.00 H new ATOM 0 HA VAL A 24 1.255 4.663 3.400 1.00 0.00 H new ATOM 0 HB VAL A 24 3.337 5.466 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.676 6.802 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.506 5.501 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.122 7.179 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.927 7.853 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.404 8.260 3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.649 7.312 4.112 1.00 0.00 H new ATOM 378 N GLY A 25 1.323 6.484 5.919 1.00 0.00 N ATOM 379 CA GLY A 25 1.757 6.610 7.297 1.00 0.00 C ATOM 380 C GLY A 25 1.664 5.295 8.046 1.00 0.00 C ATOM 381 O GLY A 25 0.893 5.165 8.997 1.00 0.00 O ATOM 0 H GLY A 25 0.453 6.968 5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.786 6.969 7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.146 7.359 7.802 1.00 0.00 H new ATOM 385 N GLY A 26 2.454 4.320 7.613 1.00 0.00 N ATOM 386 CA GLY A 26 2.455 3.019 8.245 1.00 0.00 C ATOM 387 C GLY A 26 3.766 2.297 8.021 1.00 0.00 C ATOM 388 O GLY A 26 4.689 2.417 8.823 1.00 0.00 O ATOM 0 H GLY A 26 3.099 4.411 6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.279 3.132 9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.635 2.420 7.848 1.00 0.00 H new ATOM 392 N LEU A 27 3.844 1.549 6.923 1.00 0.00 N ATOM 393 CA LEU A 27 5.047 0.801 6.574 1.00 0.00 C ATOM 394 C LEU A 27 4.768 -0.139 5.408 1.00 0.00 C ATOM 395 O LEU A 27 3.615 -0.395 5.081 1.00 0.00 O ATOM 396 CB LEU A 27 5.542 0.007 7.780 1.00 0.00 C ATOM 397 CG LEU A 27 6.988 0.284 8.193 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.949 -0.305 7.176 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.234 1.779 8.355 1.00 0.00 C ATOM 0 H LEU A 27 3.080 1.445 6.255 1.00 0.00 H new ATOM 0 HA LEU A 27 5.821 1.508 6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.891 0.221 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.441 -1.056 7.561 1.00 0.00 H new ATOM 0 HG LEU A 27 7.163 -0.193 9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.975 -0.100 7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.797 -1.383 7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.766 0.144 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.270 1.948 8.649 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.038 2.285 7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.570 2.176 9.123 1.00 0.00 H new ATOM 411 N LYS A 28 5.826 -0.654 4.784 1.00 0.00 N ATOM 412 CA LYS A 28 5.673 -1.568 3.656 1.00 0.00 C ATOM 413 C LYS A 28 4.666 -2.668 3.981 1.00 0.00 C ATOM 414 O LYS A 28 3.652 -2.816 3.300 1.00 0.00 O ATOM 415 CB LYS A 28 7.022 -2.188 3.286 1.00 0.00 C ATOM 416 CG LYS A 28 7.151 -2.527 1.810 1.00 0.00 C ATOM 417 CD LYS A 28 8.445 -3.272 1.522 1.00 0.00 C ATOM 418 CE LYS A 28 8.812 -3.200 0.048 1.00 0.00 C ATOM 419 NZ LYS A 28 10.017 -4.017 -0.264 1.00 0.00 N ATOM 0 H LYS A 28 6.793 -0.455 5.039 1.00 0.00 H new ATOM 0 HA LYS A 28 5.300 -0.997 2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.818 -1.497 3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.169 -3.095 3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.302 -3.136 1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.118 -1.611 1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.251 -2.848 2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.340 -4.315 1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.972 -3.548 -0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.995 -2.162 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.941 -4.393 -1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.868 -3.423 -0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.085 -4.806 0.410 1.00 0.00 H new ATOM 433 N ASN A 29 4.940 -3.422 5.042 1.00 0.00 N ATOM 434 CA ASN A 29 4.045 -4.492 5.468 1.00 0.00 C ATOM 435 C ASN A 29 2.634 -3.942 5.661 1.00 0.00 C ATOM 436 O ASN A 29 1.650 -4.528 5.205 1.00 0.00 O ATOM 437 CB ASN A 29 4.562 -5.122 6.766 1.00 0.00 C ATOM 438 CG ASN A 29 3.534 -6.005 7.449 1.00 0.00 C ATOM 439 OD1 ASN A 29 2.981 -6.921 6.840 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.275 -5.728 8.721 1.00 0.00 N ATOM 0 H ASN A 29 5.773 -3.312 5.621 1.00 0.00 H new ATOM 0 HA ASN A 29 4.015 -5.263 4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.452 -5.713 6.547 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.865 -4.331 7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.592 -6.285 9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.759 -4.959 9.184 1.00 0.00 H new ATOM 447 N GLU A 30 2.555 -2.795 6.322 1.00 0.00 N ATOM 448 CA GLU A 30 1.282 -2.137 6.564 1.00 0.00 C ATOM 449 C GLU A 30 0.683 -1.654 5.248 1.00 0.00 C ATOM 450 O GLU A 30 -0.536 -1.562 5.102 1.00 0.00 O ATOM 451 CB GLU A 30 1.472 -0.960 7.520 1.00 0.00 C ATOM 452 CG GLU A 30 1.230 -1.316 8.978 1.00 0.00 C ATOM 453 CD GLU A 30 -0.245 -1.402 9.320 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.647 -2.389 9.971 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.998 -0.483 8.935 1.00 0.00 O ATOM 0 H GLU A 30 3.363 -2.301 6.701 1.00 0.00 H new ATOM 0 HA GLU A 30 0.597 -2.852 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.486 -0.575 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.794 -0.156 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.707 -2.271 9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.704 -0.568 9.614 1.00 0.00 H new ATOM 462 N TRP A 31 1.556 -1.341 4.295 1.00 0.00 N ATOM 463 CA TRP A 31 1.135 -0.860 2.991 1.00 0.00 C ATOM 464 C TRP A 31 0.485 -1.977 2.192 1.00 0.00 C ATOM 465 O TRP A 31 -0.599 -1.804 1.639 1.00 0.00 O ATOM 466 CB TRP A 31 2.332 -0.265 2.247 1.00 0.00 C ATOM 467 CG TRP A 31 2.820 0.999 2.885 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.180 1.710 3.858 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.043 1.703 2.613 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.919 2.807 4.206 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.066 2.824 3.461 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.121 1.500 1.742 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.114 3.734 3.468 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.164 2.407 1.752 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.155 3.511 2.610 1.00 0.00 C ATOM 0 H TRP A 31 2.567 -1.414 4.407 1.00 0.00 H new ATOM 0 HA TRP A 31 0.389 -0.076 3.123 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.142 -0.994 2.222 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.052 -0.064 1.213 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.227 1.445 4.291 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.657 3.500 4.907 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.137 0.651 1.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.107 4.589 4.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.001 2.260 1.085 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.986 4.201 2.595 1.00 0.00 H new ATOM 486 N VAL A 32 1.131 -3.137 2.156 1.00 0.00 N ATOM 487 CA VAL A 32 0.575 -4.277 1.446 1.00 0.00 C ATOM 488 C VAL A 32 -0.743 -4.689 2.093 1.00 0.00 C ATOM 489 O VAL A 32 -1.681 -5.097 1.413 1.00 0.00 O ATOM 490 CB VAL A 32 1.544 -5.478 1.423 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.879 -5.935 2.834 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.960 -6.625 0.606 1.00 0.00 C ATOM 0 H VAL A 32 2.030 -3.310 2.606 1.00 0.00 H new ATOM 0 HA VAL A 32 0.407 -3.973 0.413 1.00 0.00 H new ATOM 0 HB VAL A 32 2.470 -5.156 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.563 -6.782 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.350 -5.117 3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.965 -6.234 3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.659 -7.462 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.016 -6.943 1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.788 -6.292 -0.417 1.00 0.00 H new ATOM 502 N GLN A 33 -0.805 -4.562 3.416 1.00 0.00 N ATOM 503 CA GLN A 33 -2.009 -4.908 4.159 1.00 0.00 C ATOM 504 C GLN A 33 -3.148 -3.941 3.839 1.00 0.00 C ATOM 505 O GLN A 33 -4.255 -4.366 3.504 1.00 0.00 O ATOM 506 CB GLN A 33 -1.725 -4.899 5.663 1.00 0.00 C ATOM 507 CG GLN A 33 -0.919 -6.098 6.136 1.00 0.00 C ATOM 508 CD GLN A 33 -1.545 -7.418 5.732 1.00 0.00 C ATOM 509 OE1 GLN A 33 -2.567 -7.828 6.282 1.00 0.00 O ATOM 510 NE2 GLN A 33 -0.933 -8.091 4.765 1.00 0.00 N ATOM 0 H GLN A 33 -0.036 -4.222 3.993 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.314 -5.910 3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.186 -3.986 5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.671 -4.872 6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.089 -6.038 5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.824 -6.062 7.221 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.088 -7.713 4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.308 -8.986 4.450 1.00 0.00 H new ATOM 519 N ARG A 34 -2.875 -2.639 3.937 1.00 0.00 N ATOM 520 CA ARG A 34 -3.891 -1.630 3.652 1.00 0.00 C ATOM 521 C ARG A 34 -4.283 -1.661 2.176 1.00 0.00 C ATOM 522 O ARG A 34 -5.459 -1.530 1.837 1.00 0.00 O ATOM 523 CB ARG A 34 -3.409 -0.232 4.051 1.00 0.00 C ATOM 524 CG ARG A 34 -2.257 0.287 3.218 1.00 0.00 C ATOM 525 CD ARG A 34 -2.014 1.764 3.483 1.00 0.00 C ATOM 526 NE ARG A 34 -1.856 2.057 4.903 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.491 3.038 5.544 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.340 3.830 4.900 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.269 3.230 6.836 1.00 0.00 N ATOM 0 H ARG A 34 -1.967 -2.263 4.209 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.772 -1.865 4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.244 0.465 3.971 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.107 -0.249 5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.354 -0.280 3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.471 0.134 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.120 2.084 2.947 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.848 2.343 3.086 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.217 1.472 5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.512 3.691 3.904 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.820 4.578 5.401 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.614 2.628 7.336 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.753 3.980 7.331 1.00 0.00 H new ATOM 543 N LEU A 35 -3.298 -1.853 1.300 1.00 0.00 N ATOM 544 CA LEU A 35 -3.562 -1.920 -0.133 1.00 0.00 C ATOM 545 C LEU A 35 -4.443 -3.123 -0.440 1.00 0.00 C ATOM 546 O LEU A 35 -5.485 -2.997 -1.084 1.00 0.00 O ATOM 547 CB LEU A 35 -2.259 -2.040 -0.924 1.00 0.00 C ATOM 548 CG LEU A 35 -1.365 -0.802 -0.932 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.021 -1.146 -1.541 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.015 0.329 -1.707 1.00 0.00 C ATOM 0 H LEU A 35 -2.317 -1.964 1.557 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.069 -1.001 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.687 -2.875 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.505 -2.293 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.221 -0.471 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.614 -0.260 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.455 -1.931 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.164 -1.495 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.359 1.200 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.186 0.014 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.967 0.587 -1.244 1.00 0.00 H new ATOM 562 N ILE A 36 -4.023 -4.288 0.047 1.00 0.00 N ATOM 563 CA ILE A 36 -4.777 -5.517 -0.155 1.00 0.00 C ATOM 564 C ILE A 36 -6.210 -5.333 0.331 1.00 0.00 C ATOM 565 O ILE A 36 -7.158 -5.823 -0.284 1.00 0.00 O ATOM 566 CB ILE A 36 -4.120 -6.706 0.584 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.809 -7.107 -0.100 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.066 -7.899 0.644 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.967 -8.052 0.730 1.00 0.00 C ATOM 0 H ILE A 36 -3.164 -4.404 0.584 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.780 -5.741 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.901 -6.388 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.035 -7.578 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.230 -6.209 -0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.581 -8.722 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.975 -7.616 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.320 -8.213 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.053 -8.296 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.711 -7.576 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.529 -8.966 0.924 1.00 0.00 H new ATOM 581 N LYS A 37 -6.358 -4.601 1.431 1.00 0.00 N ATOM 582 CA LYS A 37 -7.669 -4.322 1.991 1.00 0.00 C ATOM 583 C LYS A 37 -8.402 -3.324 1.108 1.00 0.00 C ATOM 584 O LYS A 37 -9.627 -3.357 0.996 1.00 0.00 O ATOM 585 CB LYS A 37 -7.539 -3.773 3.413 1.00 0.00 C ATOM 586 CG LYS A 37 -7.483 -4.855 4.480 1.00 0.00 C ATOM 587 CD LYS A 37 -6.797 -4.357 5.741 1.00 0.00 C ATOM 588 CE LYS A 37 -7.299 -5.091 6.974 1.00 0.00 C ATOM 589 NZ LYS A 37 -6.473 -4.788 8.176 1.00 0.00 N ATOM 0 H LYS A 37 -5.582 -4.191 1.951 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.239 -5.250 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.637 -3.164 3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.384 -3.115 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.494 -5.184 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.949 -5.723 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.720 -4.493 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.975 -3.288 5.855 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.335 -4.812 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.288 -6.165 6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.848 -5.308 8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.489 -5.078 8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.504 -3.767 8.370 1.00 0.00 H new ATOM 603 N ASP A 38 -7.636 -2.436 0.480 1.00 0.00 N ATOM 604 CA ASP A 38 -8.203 -1.430 -0.399 1.00 0.00 C ATOM 605 C ASP A 38 -8.785 -2.076 -1.651 1.00 0.00 C ATOM 606 O ASP A 38 -9.884 -1.734 -2.089 1.00 0.00 O ATOM 607 CB ASP A 38 -7.137 -0.405 -0.787 1.00 0.00 C ATOM 608 CG ASP A 38 -7.697 0.710 -1.647 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.075 1.760 -1.087 1.00 0.00 O ATOM 610 OD2 ASP A 38 -7.758 0.532 -2.882 1.00 0.00 O ATOM 0 H ASP A 38 -6.620 -2.397 0.567 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.006 -0.922 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.700 0.021 0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.333 -0.907 -1.325 1.00 0.00 H new ATOM 615 N ASP A 39 -8.040 -3.018 -2.218 1.00 0.00 N ATOM 616 CA ASP A 39 -8.475 -3.723 -3.418 1.00 0.00 C ATOM 617 C ASP A 39 -9.513 -4.787 -3.077 1.00 0.00 C ATOM 618 O ASP A 39 -10.323 -5.171 -3.921 1.00 0.00 O ATOM 619 CB ASP A 39 -7.277 -4.369 -4.116 1.00 0.00 C ATOM 620 CG ASP A 39 -6.635 -3.446 -5.134 1.00 0.00 C ATOM 621 OD1 ASP A 39 -6.030 -2.434 -4.720 1.00 0.00 O ATOM 622 OD2 ASP A 39 -6.735 -3.737 -6.345 1.00 0.00 O ATOM 0 H ASP A 39 -7.129 -3.312 -1.865 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.932 -2.997 -4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.536 -4.654 -3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.599 -5.285 -4.612 1.00 0.00 H new ATOM 627 N GLU A 40 -9.484 -5.260 -1.835 1.00 0.00 N ATOM 628 CA GLU A 40 -10.423 -6.281 -1.382 1.00 0.00 C ATOM 629 C GLU A 40 -11.807 -5.688 -1.147 1.00 0.00 C ATOM 630 O GLU A 40 -12.808 -6.404 -1.160 1.00 0.00 O ATOM 631 CB GLU A 40 -9.912 -6.950 -0.105 1.00 0.00 C ATOM 632 CG GLU A 40 -9.159 -8.246 -0.357 1.00 0.00 C ATOM 633 CD GLU A 40 -8.630 -8.871 0.919 1.00 0.00 C ATOM 634 OE1 GLU A 40 -9.406 -8.981 1.892 1.00 0.00 O ATOM 635 OE2 GLU A 40 -7.440 -9.251 0.946 1.00 0.00 O ATOM 0 H GLU A 40 -8.820 -4.953 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.503 -7.034 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.258 -6.256 0.422 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.757 -7.153 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.820 -8.954 -0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.327 -8.053 -1.034 1.00 0.00 H new ATOM 642 N GLU A 41 -11.862 -4.376 -0.937 1.00 0.00 N ATOM 643 CA GLU A 41 -13.130 -3.695 -0.708 1.00 0.00 C ATOM 644 C GLU A 41 -14.120 -3.982 -1.835 1.00 0.00 C ATOM 645 O GLU A 41 -15.326 -3.789 -1.676 1.00 0.00 O ATOM 646 CB GLU A 41 -12.910 -2.187 -0.578 1.00 0.00 C ATOM 647 CG GLU A 41 -12.313 -1.773 0.759 1.00 0.00 C ATOM 648 CD GLU A 41 -13.181 -0.776 1.503 1.00 0.00 C ATOM 649 OE1 GLU A 41 -13.797 0.085 0.841 1.00 0.00 O ATOM 650 OE2 GLU A 41 -13.244 -0.857 2.748 1.00 0.00 O ATOM 0 H GLU A 41 -11.045 -3.766 -0.921 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.550 -4.075 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.251 -1.854 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.863 -1.676 -0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.171 -2.658 1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.327 -1.338 0.593 1.00 0.00 H new ATOM 657 N SER A 42 -13.609 -4.452 -2.973 1.00 0.00 N ATOM 658 CA SER A 42 -14.456 -4.770 -4.112 1.00 0.00 C ATOM 659 C SER A 42 -13.886 -5.939 -4.897 1.00 0.00 C ATOM 660 O SER A 42 -13.271 -5.756 -5.948 1.00 0.00 O ATOM 661 CB SER A 42 -14.607 -3.564 -5.036 1.00 0.00 C ATOM 662 OG SER A 42 -13.448 -2.747 -5.005 1.00 0.00 O ATOM 0 H SER A 42 -12.614 -4.619 -3.126 1.00 0.00 H new ATOM 0 HA SER A 42 -15.438 -5.043 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.789 -3.904 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.476 -2.979 -4.736 1.00 0.00 H new ATOM 0 HG SER A 42 -13.623 -1.913 -5.489 1.00 0.00 H new ATOM 668 N LYS A 43 -14.098 -7.143 -4.387 1.00 0.00 N ATOM 669 CA LYS A 43 -13.609 -8.344 -5.052 1.00 0.00 C ATOM 670 C LYS A 43 -14.578 -8.795 -6.144 1.00 0.00 C ATOM 671 O LYS A 43 -14.795 -9.991 -6.337 1.00 0.00 O ATOM 672 CB LYS A 43 -13.402 -9.467 -4.031 1.00 0.00 C ATOM 673 CG LYS A 43 -11.986 -10.020 -4.015 1.00 0.00 C ATOM 674 CD LYS A 43 -11.969 -11.525 -4.224 1.00 0.00 C ATOM 675 CE LYS A 43 -12.143 -12.272 -2.911 1.00 0.00 C ATOM 676 NZ LYS A 43 -11.543 -13.634 -2.962 1.00 0.00 N ATOM 0 H LYS A 43 -14.603 -7.315 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.653 -8.110 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.649 -9.093 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.097 -10.278 -4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.398 -9.537 -4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.512 -9.779 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.766 -11.807 -4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.028 -11.818 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.681 -11.702 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.205 -12.352 -2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.683 -14.110 -2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.001 -14.187 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.525 -13.558 -3.160 1.00 0.00 H new ATOM 690 N GLY A 44 -15.158 -7.832 -6.860 1.00 0.00 N ATOM 691 CA GLY A 44 -16.092 -8.160 -7.921 1.00 0.00 C ATOM 692 C GLY A 44 -17.418 -7.439 -7.769 1.00 0.00 C ATOM 693 O GLY A 44 -18.479 -8.029 -7.972 1.00 0.00 O ATOM 0 H GLY A 44 -14.997 -6.834 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.650 -7.902 -8.883 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -16.266 -9.236 -7.928 1.00 0.00 H new ATOM 697 N GLU A 45 -17.356 -6.161 -7.413 1.00 0.00 N ATOM 698 CA GLU A 45 -18.561 -5.358 -7.235 1.00 0.00 C ATOM 699 C GLU A 45 -18.367 -3.955 -7.798 1.00 0.00 C ATOM 700 O GLU A 45 -19.157 -3.490 -8.621 1.00 0.00 O ATOM 701 CB GLU A 45 -18.931 -5.279 -5.752 1.00 0.00 C ATOM 702 CG GLU A 45 -19.854 -6.397 -5.296 1.00 0.00 C ATOM 703 CD GLU A 45 -19.658 -6.755 -3.836 1.00 0.00 C ATOM 704 OE1 GLU A 45 -18.838 -7.654 -3.549 1.00 0.00 O ATOM 705 OE2 GLU A 45 -20.323 -6.137 -2.978 1.00 0.00 O ATOM 0 H GLU A 45 -16.485 -5.659 -7.242 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.373 -5.839 -7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.019 -5.306 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.411 -4.320 -5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -20.889 -6.097 -5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.679 -7.281 -5.910 1.00 0.00 H new ATOM 712 N SER A 46 -17.310 -3.284 -7.352 1.00 0.00 N ATOM 713 CA SER A 46 -17.012 -1.932 -7.811 1.00 0.00 C ATOM 714 C SER A 46 -15.533 -1.610 -7.627 1.00 0.00 C ATOM 715 O SER A 46 -15.139 -0.995 -6.636 1.00 0.00 O ATOM 716 CB SER A 46 -17.870 -0.914 -7.056 1.00 0.00 C ATOM 717 OG SER A 46 -18.831 -0.321 -7.913 1.00 0.00 O ATOM 0 H SER A 46 -16.645 -3.655 -6.673 1.00 0.00 H new ATOM 0 HA SER A 46 -17.247 -1.874 -8.874 1.00 0.00 H new ATOM 0 HB2 SER A 46 -18.374 -1.405 -6.224 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.231 -0.140 -6.630 1.00 0.00 H new ATOM 0 HG SER A 46 -19.367 0.324 -7.406 1.00 0.00 H new ATOM 723 N GLU A 47 -14.716 -2.029 -8.589 1.00 0.00 N ATOM 724 CA GLU A 47 -13.280 -1.784 -8.533 1.00 0.00 C ATOM 725 C GLU A 47 -12.982 -0.289 -8.557 1.00 0.00 C ATOM 726 O GLU A 47 -13.727 0.493 -9.149 1.00 0.00 O ATOM 727 CB GLU A 47 -12.577 -2.476 -9.702 1.00 0.00 C ATOM 728 CG GLU A 47 -13.022 -1.969 -11.064 1.00 0.00 C ATOM 729 CD GLU A 47 -12.013 -1.026 -11.692 1.00 0.00 C ATOM 730 OE1 GLU A 47 -10.806 -1.179 -11.415 1.00 0.00 O ATOM 731 OE2 GLU A 47 -12.433 -0.135 -12.462 1.00 0.00 O ATOM 0 H GLU A 47 -15.025 -2.540 -9.416 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.903 -2.196 -7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.501 -2.333 -9.604 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.763 -3.548 -9.644 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.184 -2.818 -11.729 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.979 -1.457 -10.962 1.00 0.00 H new ATOM 738 N VAL A 48 -11.888 0.102 -7.912 1.00 0.00 N ATOM 739 CA VAL A 48 -11.492 1.504 -7.861 1.00 0.00 C ATOM 740 C VAL A 48 -10.730 1.908 -9.118 1.00 0.00 C ATOM 741 O VAL A 48 -9.815 1.209 -9.553 1.00 0.00 O ATOM 742 CB VAL A 48 -10.615 1.796 -6.629 1.00 0.00 C ATOM 743 CG1 VAL A 48 -11.448 1.759 -5.358 1.00 0.00 C ATOM 744 CG2 VAL A 48 -9.461 0.807 -6.548 1.00 0.00 C ATOM 0 H VAL A 48 -11.260 -0.532 -7.418 1.00 0.00 H new ATOM 0 HA VAL A 48 -12.410 2.088 -7.792 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.198 2.798 -6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.810 1.968 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.235 2.511 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.897 0.772 -5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.852 1.029 -5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.855 -0.206 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.848 0.889 -7.446 1.00 0.00 H new ATOM 754 N SER A 49 -11.114 3.040 -9.699 1.00 0.00 N ATOM 755 CA SER A 49 -10.467 3.538 -10.906 1.00 0.00 C ATOM 756 C SER A 49 -10.746 5.029 -11.098 1.00 0.00 C ATOM 757 O SER A 49 -11.884 5.475 -10.967 1.00 0.00 O ATOM 758 CB SER A 49 -10.953 2.756 -12.129 1.00 0.00 C ATOM 759 OG SER A 49 -10.323 3.215 -13.312 1.00 0.00 O ATOM 0 H SER A 49 -11.871 3.630 -9.353 1.00 0.00 H new ATOM 0 HA SER A 49 -9.392 3.398 -10.796 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.746 1.695 -11.992 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.034 2.860 -12.225 1.00 0.00 H new ATOM 0 HG SER A 49 -10.649 2.698 -14.078 1.00 0.00 H new ATOM 765 N PRO A 50 -9.704 5.823 -11.410 1.00 0.00 N ATOM 766 CA PRO A 50 -9.848 7.265 -11.615 1.00 0.00 C ATOM 767 C PRO A 50 -10.399 7.606 -12.997 1.00 0.00 C ATOM 768 O PRO A 50 -9.783 8.354 -13.756 1.00 0.00 O ATOM 769 CB PRO A 50 -8.416 7.774 -11.469 1.00 0.00 C ATOM 770 CG PRO A 50 -7.569 6.645 -11.947 1.00 0.00 C ATOM 771 CD PRO A 50 -8.306 5.380 -11.584 1.00 0.00 C ATOM 0 HA PRO A 50 -10.554 7.713 -10.915 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.252 8.673 -12.063 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.189 8.030 -10.434 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.410 6.707 -13.024 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.586 6.671 -11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.220 4.628 -12.368 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.911 4.935 -10.671 1.00 0.00 H new ATOM 779 N GLN A 51 -11.565 7.052 -13.318 1.00 0.00 N ATOM 780 CA GLN A 51 -12.201 7.298 -14.608 1.00 0.00 C ATOM 781 C GLN A 51 -11.272 6.913 -15.756 1.00 0.00 C ATOM 782 O GLN A 51 -11.558 7.311 -16.906 1.00 0.00 O ATOM 783 CB GLN A 51 -12.600 8.770 -14.731 1.00 0.00 C ATOM 784 CG GLN A 51 -13.672 9.193 -13.741 1.00 0.00 C ATOM 785 CD GLN A 51 -14.677 10.154 -14.346 1.00 0.00 C ATOM 786 OE1 GLN A 51 -15.268 9.878 -15.389 1.00 0.00 O ATOM 787 NE2 GLN A 51 -14.873 11.293 -13.692 1.00 0.00 N ATOM 788 OXT GLN A 51 -10.267 6.219 -15.497 1.00 0.00 O ATOM 0 H GLN A 51 -12.088 6.430 -12.702 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.097 6.680 -14.667 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.716 9.391 -14.585 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.957 8.958 -15.743 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -14.194 8.308 -13.377 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.200 9.662 -12.878 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.361 11.481 -12.830 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -15.536 11.980 -14.052 1.00 0.00 H new TER 797 GLN A 51