USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 605 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 49 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.52) USER MOD Set 1.2: A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -116:sc= 0 (180deg=-0.0866) USER MOD Single : A 1 MET N :NH3+ 138:sc= -0.162 (180deg=-1.05) USER MOD Single : A 6 THR OG1 : rot -50:sc= -0.28 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc=0.000932 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0118 K(o=-0.012,f=-1.5!) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.244 USER MOD Single : A 48 ASN : amide:sc= -0.332 K(o=-0.33,f=-1.7) USER MOD Single : A 56 THR OG1 : rot -107:sc= -0.226 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.2! K(o=-1.2!,f=0) USER MOD Single : A 64 SER OG : rot 70:sc= 0.602 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 78:sc= 0.126 USER MOD Single : A 73 SER OG : rot -20:sc= 0.261 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.915 3.796 -0.734 1.00 0.00 N ATOM 2 CA MET A 1 -13.141 2.526 -0.652 1.00 0.00 C ATOM 3 C MET A 1 -12.066 2.666 0.420 1.00 0.00 C ATOM 4 O MET A 1 -11.471 3.733 0.566 1.00 0.00 O ATOM 5 CB MET A 1 -12.496 2.246 -2.013 1.00 0.00 C ATOM 6 CG MET A 1 -11.545 3.387 -2.382 1.00 0.00 C ATOM 7 SD MET A 1 -11.021 3.192 -4.107 1.00 0.00 S ATOM 8 CE MET A 1 -9.753 1.914 -3.869 1.00 0.00 C ATOM 0 H1 MET A 1 -14.088 4.033 -1.732 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.824 3.681 -0.242 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.374 4.562 -0.285 1.00 0.00 H new ATOM 0 HA MET A 1 -13.800 1.698 -0.391 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.951 1.303 -1.980 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.267 2.142 -2.776 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.041 4.348 -2.247 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.677 3.381 -1.723 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.777 2.314 -4.144 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.738 1.607 -2.823 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.982 1.053 -4.497 1.00 0.00 H new ATOM 20 N ARG A 2 -11.814 1.588 1.169 1.00 0.00 N ATOM 21 CA ARG A 2 -10.794 1.614 2.228 1.00 0.00 C ATOM 22 C ARG A 2 -9.771 0.501 2.015 1.00 0.00 C ATOM 23 O ARG A 2 -10.128 -0.646 1.749 1.00 0.00 O ATOM 24 CB ARG A 2 -11.456 1.449 3.597 1.00 0.00 C ATOM 25 CG ARG A 2 -12.376 2.643 3.865 1.00 0.00 C ATOM 26 CD ARG A 2 -12.997 2.511 5.257 1.00 0.00 C ATOM 27 NE ARG A 2 -13.950 3.592 5.488 1.00 0.00 N ATOM 28 CZ ARG A 2 -13.539 4.811 5.821 1.00 0.00 C ATOM 29 NH1 ARG A 2 -13.164 5.063 7.045 1.00 0.00 N ATOM 30 NH2 ARG A 2 -13.513 5.757 4.924 1.00 0.00 N ATOM 0 H ARG A 2 -12.295 0.695 1.066 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.281 2.575 2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.028 0.521 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.696 1.380 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.812 3.573 3.794 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -13.160 2.688 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.499 1.548 5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.215 2.537 6.016 1.00 0.00 H new ATOM 0 HE ARG A 2 -14.949 3.409 5.392 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.186 4.324 7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.849 5.999 7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.808 5.561 3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.198 6.693 5.179 1.00 0.00 H new ATOM 44 N ILE A 3 -8.494 0.858 2.121 1.00 0.00 N ATOM 45 CA ILE A 3 -7.400 -0.099 1.927 1.00 0.00 C ATOM 46 C ILE A 3 -6.555 -0.214 3.191 1.00 0.00 C ATOM 47 O ILE A 3 -6.062 0.792 3.702 1.00 0.00 O ATOM 48 CB ILE A 3 -6.511 0.390 0.785 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.339 0.422 -0.502 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.322 -0.561 0.614 1.00 0.00 C ATOM 51 CD1 ILE A 3 -6.556 1.139 -1.598 1.00 0.00 C ATOM 0 H ILE A 3 -8.187 1.806 2.341 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.825 -1.076 1.694 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.135 1.388 1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.578 -0.594 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.286 0.932 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.690 -0.210 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.743 -0.589 1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.687 -1.562 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.148 1.160 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.339 2.159 -1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.621 0.610 -1.783 1.00 0.00 H new ATOM 63 N GLU A 4 -6.391 -1.437 3.696 1.00 0.00 N ATOM 64 CA GLU A 4 -5.598 -1.658 4.914 1.00 0.00 C ATOM 65 C GLU A 4 -4.479 -2.676 4.679 1.00 0.00 C ATOM 66 O GLU A 4 -4.712 -3.764 4.152 1.00 0.00 O ATOM 67 CB GLU A 4 -6.516 -2.135 6.045 1.00 0.00 C ATOM 68 CG GLU A 4 -5.700 -2.364 7.320 1.00 0.00 C ATOM 69 CD GLU A 4 -6.632 -2.711 8.476 1.00 0.00 C ATOM 70 OE1 GLU A 4 -7.805 -2.927 8.220 1.00 0.00 O ATOM 71 OE2 GLU A 4 -6.158 -2.757 9.600 1.00 0.00 O ATOM 0 H GLU A 4 -6.790 -2.283 3.289 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.132 -0.713 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.294 -1.395 6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.017 -3.058 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.984 -3.171 7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.125 -1.469 7.560 1.00 0.00 H new ATOM 78 N VAL A 5 -3.260 -2.296 5.069 1.00 0.00 N ATOM 79 CA VAL A 5 -2.086 -3.168 4.894 1.00 0.00 C ATOM 80 C VAL A 5 -1.426 -3.498 6.233 1.00 0.00 C ATOM 81 O VAL A 5 -1.181 -2.614 7.050 1.00 0.00 O ATOM 82 CB VAL A 5 -1.058 -2.486 3.988 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.083 -3.466 3.691 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.727 -2.038 2.676 1.00 0.00 C ATOM 0 H VAL A 5 -3.056 -1.397 5.506 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.432 -4.096 4.439 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.657 -1.606 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.818 -2.984 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.560 -3.763 4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.316 -4.348 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.988 -1.554 2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.137 -2.907 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.530 -1.336 2.899 1.00 0.00 H new ATOM 94 N THR A 6 -1.126 -4.784 6.438 1.00 0.00 N ATOM 95 CA THR A 6 -0.470 -5.244 7.669 1.00 0.00 C ATOM 96 C THR A 6 0.855 -5.908 7.338 1.00 0.00 C ATOM 97 O THR A 6 0.954 -6.704 6.404 1.00 0.00 O ATOM 98 CB THR A 6 -1.369 -6.230 8.404 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.825 -7.217 7.493 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.563 -5.487 9.003 1.00 0.00 C ATOM 0 H THR A 6 -1.326 -5.526 5.768 1.00 0.00 H new ATOM 0 HA THR A 6 -0.286 -4.382 8.310 1.00 0.00 H new ATOM 0 HB THR A 6 -0.808 -6.709 9.206 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.188 -6.782 6.694 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.205 -6.194 9.528 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.207 -4.731 9.703 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.129 -5.006 8.206 1.00 0.00 H new ATOM 108 N ILE A 7 1.870 -5.571 8.121 1.00 0.00 N ATOM 109 CA ILE A 7 3.211 -6.117 7.949 1.00 0.00 C ATOM 110 C ILE A 7 3.618 -6.915 9.192 1.00 0.00 C ATOM 111 O ILE A 7 3.442 -6.456 10.320 1.00 0.00 O ATOM 112 CB ILE A 7 4.172 -4.945 7.723 1.00 0.00 C ATOM 113 CG1 ILE A 7 4.041 -4.461 6.270 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.626 -5.370 8.009 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.780 -3.133 6.095 1.00 0.00 C ATOM 0 H ILE A 7 1.788 -4.911 8.894 1.00 0.00 H new ATOM 0 HA ILE A 7 3.240 -6.793 7.094 1.00 0.00 H new ATOM 0 HB ILE A 7 3.915 -4.136 8.406 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.451 -5.208 5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.989 -4.339 6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.292 -4.523 7.843 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.711 -5.701 9.044 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.904 -6.187 7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.683 -2.796 5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.350 -2.386 6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.835 -3.269 6.335 1.00 0.00 H new ATOM 127 N ALA A 8 4.156 -8.114 8.974 1.00 0.00 N ATOM 128 CA ALA A 8 4.576 -8.973 10.077 1.00 0.00 C ATOM 129 C ALA A 8 5.745 -8.365 10.834 1.00 0.00 C ATOM 130 O ALA A 8 6.713 -7.864 10.262 1.00 0.00 O ATOM 131 CB ALA A 8 4.984 -10.337 9.523 1.00 0.00 C ATOM 0 H ALA A 8 4.310 -8.510 8.047 1.00 0.00 H new ATOM 0 HA ALA A 8 3.741 -9.080 10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.299 -10.983 10.342 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.136 -10.790 9.009 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.809 -10.213 8.821 1.00 0.00 H new ATOM 137 N LYS A 9 5.595 -8.424 12.146 1.00 0.00 N ATOM 138 CA LYS A 9 6.577 -7.895 13.080 1.00 0.00 C ATOM 139 C LYS A 9 7.932 -8.586 12.914 1.00 0.00 C ATOM 140 O LYS A 9 8.968 -7.990 13.211 1.00 0.00 O ATOM 141 CB LYS A 9 6.078 -8.033 14.529 1.00 0.00 C ATOM 142 CG LYS A 9 4.976 -7.014 14.877 1.00 0.00 C ATOM 143 CD LYS A 9 4.455 -7.304 16.287 1.00 0.00 C ATOM 144 CE LYS A 9 3.359 -6.298 16.644 1.00 0.00 C ATOM 145 NZ LYS A 9 2.741 -6.677 17.947 1.00 0.00 N ATOM 0 H LYS A 9 4.782 -8.843 12.598 1.00 0.00 H new ATOM 0 HA LYS A 9 6.710 -6.837 12.856 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.696 -9.042 14.683 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.917 -7.902 15.212 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.371 -5.999 14.823 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.162 -7.078 14.155 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.062 -8.319 16.339 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.270 -7.240 17.008 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.779 -5.294 16.707 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.600 -6.278 15.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.996 -5.993 18.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.327 -7.628 17.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.469 -6.675 18.690 1.00 0.00 H new ATOM 159 N THR A 10 7.940 -9.826 12.424 1.00 0.00 N ATOM 160 CA THR A 10 9.197 -10.537 12.215 1.00 0.00 C ATOM 161 C THR A 10 10.037 -9.790 11.186 1.00 0.00 C ATOM 162 O THR A 10 11.219 -10.085 11.012 1.00 0.00 O ATOM 163 CB THR A 10 8.925 -11.961 11.714 1.00 0.00 C ATOM 164 OG1 THR A 10 8.033 -11.909 10.611 1.00 0.00 O ATOM 165 CG2 THR A 10 8.307 -12.805 12.836 1.00 0.00 C ATOM 0 H THR A 10 7.103 -10.350 12.168 1.00 0.00 H new ATOM 0 HA THR A 10 9.735 -10.591 13.162 1.00 0.00 H new ATOM 0 HB THR A 10 9.865 -12.418 11.405 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.859 -12.818 10.288 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.118 -13.814 12.470 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.995 -12.848 13.680 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.368 -12.353 13.156 1.00 0.00 H new ATOM 173 N SER A 11 9.424 -8.823 10.497 1.00 0.00 N ATOM 174 CA SER A 11 10.128 -8.036 9.475 1.00 0.00 C ATOM 175 C SER A 11 10.085 -6.541 9.815 1.00 0.00 C ATOM 176 O SER A 11 9.272 -5.801 9.262 1.00 0.00 O ATOM 177 CB SER A 11 9.456 -8.256 8.117 1.00 0.00 C ATOM 178 OG SER A 11 10.057 -7.404 7.151 1.00 0.00 O ATOM 0 H SER A 11 8.446 -8.565 10.626 1.00 0.00 H new ATOM 0 HA SER A 11 11.168 -8.361 9.442 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.557 -9.298 7.813 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.389 -8.047 8.189 1.00 0.00 H new ATOM 0 HG SER A 11 9.630 -7.544 6.280 1.00 0.00 H new ATOM 184 N PRO A 12 10.935 -6.083 10.707 1.00 0.00 N ATOM 185 CA PRO A 12 10.988 -4.653 11.119 1.00 0.00 C ATOM 186 C PRO A 12 11.618 -3.725 10.070 1.00 0.00 C ATOM 187 O PRO A 12 12.669 -4.029 9.509 1.00 0.00 O ATOM 188 CB PRO A 12 11.759 -4.648 12.459 1.00 0.00 C ATOM 189 CG PRO A 12 12.104 -6.090 12.745 1.00 0.00 C ATOM 190 CD PRO A 12 11.950 -6.858 11.430 1.00 0.00 C ATOM 0 HA PRO A 12 9.982 -4.247 11.226 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.659 -4.038 12.389 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.150 -4.226 13.258 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.123 -6.175 13.124 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.444 -6.500 13.510 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.889 -6.905 10.879 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.628 -7.885 11.599 1.00 0.00 H new ATOM 198 N LEU A 13 10.963 -2.586 9.828 1.00 0.00 N ATOM 199 CA LEU A 13 11.447 -1.593 8.866 1.00 0.00 C ATOM 200 C LEU A 13 11.994 -0.380 9.631 1.00 0.00 C ATOM 201 O LEU A 13 11.569 -0.126 10.757 1.00 0.00 O ATOM 202 CB LEU A 13 10.287 -1.173 7.954 1.00 0.00 C ATOM 203 CG LEU A 13 9.999 -2.283 6.910 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.539 -2.204 6.444 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.913 -2.125 5.682 1.00 0.00 C ATOM 0 H LEU A 13 10.090 -2.328 10.289 1.00 0.00 H new ATOM 0 HA LEU A 13 12.244 -2.015 8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.395 -0.985 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.533 -0.241 7.446 1.00 0.00 H new ATOM 0 HG LEU A 13 10.189 -3.246 7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.348 -2.988 5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.876 -2.337 7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.354 -1.230 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.695 -2.914 4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.737 -1.153 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.955 -2.196 5.993 1.00 0.00 H new ATOM 217 N PRO A 14 12.934 0.356 9.079 1.00 0.00 N ATOM 218 CA PRO A 14 13.518 1.524 9.798 1.00 0.00 C ATOM 219 C PRO A 14 12.451 2.500 10.302 1.00 0.00 C ATOM 220 O PRO A 14 11.370 2.626 9.731 1.00 0.00 O ATOM 221 CB PRO A 14 14.495 2.186 8.803 1.00 0.00 C ATOM 222 CG PRO A 14 14.445 1.377 7.525 1.00 0.00 C ATOM 223 CD PRO A 14 13.535 0.153 7.753 1.00 0.00 C ATOM 0 HA PRO A 14 14.035 1.203 10.703 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.210 3.221 8.615 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.506 2.202 9.209 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.062 1.986 6.706 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.447 1.056 7.241 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.769 0.084 6.981 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.107 -0.774 7.719 1.00 0.00 H new ATOM 231 N ALA A 15 12.797 3.152 11.409 1.00 0.00 N ATOM 232 CA ALA A 15 11.932 4.116 12.086 1.00 0.00 C ATOM 233 C ALA A 15 11.484 5.263 11.175 1.00 0.00 C ATOM 234 O ALA A 15 11.574 6.429 11.561 1.00 0.00 O ATOM 235 CB ALA A 15 12.702 4.704 13.269 1.00 0.00 C ATOM 0 H ALA A 15 13.699 3.024 11.868 1.00 0.00 H new ATOM 0 HA ALA A 15 11.034 3.586 12.404 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.074 5.427 13.789 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.980 3.905 13.956 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.602 5.200 12.907 1.00 0.00 H new ATOM 241 N GLY A 16 10.999 4.947 9.979 1.00 0.00 N ATOM 242 CA GLY A 16 10.547 5.986 9.059 1.00 0.00 C ATOM 243 C GLY A 16 9.952 5.391 7.788 1.00 0.00 C ATOM 244 O GLY A 16 9.258 6.072 7.034 1.00 0.00 O ATOM 0 H GLY A 16 10.909 3.994 9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.802 6.610 9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.385 6.633 8.801 1.00 0.00 H new ATOM 248 N ALA A 17 10.284 4.132 7.531 1.00 0.00 N ATOM 249 CA ALA A 17 9.840 3.464 6.316 1.00 0.00 C ATOM 250 C ALA A 17 8.330 3.215 6.244 1.00 0.00 C ATOM 251 O ALA A 17 7.737 3.356 5.175 1.00 0.00 O ATOM 252 CB ALA A 17 10.647 2.173 6.080 1.00 0.00 C ATOM 0 H ALA A 17 10.858 3.555 8.146 1.00 0.00 H new ATOM 0 HA ALA A 17 10.041 4.160 5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.300 1.689 5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.705 2.418 5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.508 1.498 6.924 1.00 0.00 H new ATOM 258 N ILE A 18 7.706 2.850 7.352 1.00 0.00 N ATOM 259 CA ILE A 18 6.269 2.601 7.320 1.00 0.00 C ATOM 260 C ILE A 18 5.533 3.865 6.882 1.00 0.00 C ATOM 261 O ILE A 18 4.693 3.826 5.984 1.00 0.00 O ATOM 262 CB ILE A 18 5.773 2.152 8.705 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.313 0.738 9.020 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.235 2.157 8.741 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.407 -0.353 8.430 1.00 0.00 C ATOM 0 H ILE A 18 8.152 2.722 8.260 1.00 0.00 H new ATOM 0 HA ILE A 18 6.066 1.805 6.604 1.00 0.00 H new ATOM 0 HB ILE A 18 6.141 2.847 9.460 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.320 0.634 8.617 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.387 0.607 10.100 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.893 1.838 9.725 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.870 3.164 8.539 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.851 1.473 7.984 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.816 -1.335 8.670 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.407 -0.263 8.853 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.355 -0.237 7.347 1.00 0.00 H new ATOM 277 N ASP A 19 5.870 4.987 7.507 1.00 0.00 N ATOM 278 CA ASP A 19 5.239 6.250 7.145 1.00 0.00 C ATOM 279 C ASP A 19 5.523 6.559 5.680 1.00 0.00 C ATOM 280 O ASP A 19 4.649 7.060 4.973 1.00 0.00 O ATOM 281 CB ASP A 19 5.709 7.393 8.050 1.00 0.00 C ATOM 282 CG ASP A 19 4.858 8.636 7.812 1.00 0.00 C ATOM 283 OD1 ASP A 19 3.708 8.629 8.217 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.370 9.578 7.228 1.00 0.00 O ATOM 0 H ASP A 19 6.563 5.049 8.253 1.00 0.00 H new ATOM 0 HA ASP A 19 4.163 6.154 7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.641 7.091 9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.757 7.617 7.851 1.00 0.00 H new ATOM 289 N ALA A 20 6.739 6.267 5.216 1.00 0.00 N ATOM 290 CA ALA A 20 7.066 6.541 3.825 1.00 0.00 C ATOM 291 C ALA A 20 6.240 5.661 2.884 1.00 0.00 C ATOM 292 O ALA A 20 5.746 6.124 1.855 1.00 0.00 O ATOM 293 CB ALA A 20 8.563 6.351 3.562 1.00 0.00 C ATOM 0 H ALA A 20 7.491 5.853 5.767 1.00 0.00 H new ATOM 0 HA ALA A 20 6.816 7.583 3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.778 6.563 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.133 7.032 4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.845 5.323 3.790 1.00 0.00 H new ATOM 299 N LEU A 21 6.094 4.392 3.250 1.00 0.00 N ATOM 300 CA LEU A 21 5.336 3.443 2.461 1.00 0.00 C ATOM 301 C LEU A 21 3.886 3.883 2.316 1.00 0.00 C ATOM 302 O LEU A 21 3.330 3.892 1.218 1.00 0.00 O ATOM 303 CB LEU A 21 5.442 2.071 3.148 1.00 0.00 C ATOM 304 CG LEU A 21 4.501 1.052 2.512 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.856 0.845 1.038 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.632 -0.283 3.250 1.00 0.00 C ATOM 0 H LEU A 21 6.498 3.999 4.100 1.00 0.00 H new ATOM 0 HA LEU A 21 5.742 3.384 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.468 1.709 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.206 2.174 4.207 1.00 0.00 H new ATOM 0 HG LEU A 21 3.479 1.423 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.176 0.115 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.766 1.792 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.880 0.480 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.962 -1.015 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.660 -0.639 3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.368 -0.146 4.299 1.00 0.00 H new ATOM 318 N ALA A 22 3.283 4.245 3.443 1.00 0.00 N ATOM 319 CA ALA A 22 1.896 4.684 3.453 1.00 0.00 C ATOM 320 C ALA A 22 1.738 5.917 2.568 1.00 0.00 C ATOM 321 O ALA A 22 0.751 6.032 1.840 1.00 0.00 O ATOM 322 CB ALA A 22 1.447 4.998 4.881 1.00 0.00 C ATOM 0 H ALA A 22 3.733 4.243 4.358 1.00 0.00 H new ATOM 0 HA ALA A 22 1.269 3.882 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.407 5.325 4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.541 4.104 5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.073 5.790 5.293 1.00 0.00 H new ATOM 328 N GLY A 23 2.700 6.820 2.600 1.00 0.00 N ATOM 329 CA GLY A 23 2.636 8.013 1.764 1.00 0.00 C ATOM 330 C GLY A 23 2.779 7.668 0.286 1.00 0.00 C ATOM 331 O GLY A 23 2.034 8.196 -0.541 1.00 0.00 O ATOM 0 H GLY A 23 3.530 6.755 3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.687 8.524 1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.426 8.705 2.055 1.00 0.00 H new ATOM 335 N GLU A 24 3.723 6.801 -0.068 1.00 0.00 N ATOM 336 CA GLU A 24 3.891 6.460 -1.477 1.00 0.00 C ATOM 337 C GLU A 24 2.644 5.750 -2.008 1.00 0.00 C ATOM 338 O GLU A 24 2.210 6.005 -3.132 1.00 0.00 O ATOM 339 CB GLU A 24 5.150 5.590 -1.689 1.00 0.00 C ATOM 340 CG GLU A 24 5.745 5.859 -3.079 1.00 0.00 C ATOM 341 CD GLU A 24 4.655 5.775 -4.146 1.00 0.00 C ATOM 342 OE1 GLU A 24 4.017 4.741 -4.230 1.00 0.00 O ATOM 343 OE2 GLU A 24 4.475 6.748 -4.859 1.00 0.00 O ATOM 0 H GLU A 24 4.363 6.336 0.575 1.00 0.00 H new ATOM 0 HA GLU A 24 4.025 7.385 -2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.889 5.811 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.894 4.535 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.208 6.845 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.530 5.134 -3.293 1.00 0.00 H new ATOM 350 N LEU A 25 2.086 4.851 -1.210 1.00 0.00 N ATOM 351 CA LEU A 25 0.907 4.110 -1.645 1.00 0.00 C ATOM 352 C LEU A 25 -0.302 5.015 -1.875 1.00 0.00 C ATOM 353 O LEU A 25 -1.029 4.846 -2.847 1.00 0.00 O ATOM 354 CB LEU A 25 0.533 3.030 -0.624 1.00 0.00 C ATOM 355 CG LEU A 25 1.586 1.912 -0.615 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.285 0.957 0.547 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.569 1.128 -1.949 1.00 0.00 C ATOM 0 H LEU A 25 2.421 4.619 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 25 1.173 3.648 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.454 3.472 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.445 2.615 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 25 2.574 2.356 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.027 0.159 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.322 1.506 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.292 0.527 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.323 0.342 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.585 0.682 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.786 1.807 -2.773 1.00 0.00 H new ATOM 369 N SER A 26 -0.518 5.964 -0.979 1.00 0.00 N ATOM 370 CA SER A 26 -1.660 6.865 -1.106 1.00 0.00 C ATOM 371 C SER A 26 -1.604 7.654 -2.410 1.00 0.00 C ATOM 372 O SER A 26 -2.608 7.764 -3.113 1.00 0.00 O ATOM 373 CB SER A 26 -1.684 7.840 0.072 1.00 0.00 C ATOM 374 OG SER A 26 -2.782 8.727 -0.081 1.00 0.00 O ATOM 0 H SER A 26 0.072 6.132 -0.164 1.00 0.00 H new ATOM 0 HA SER A 26 -2.566 6.259 -1.109 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.770 7.293 1.011 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.750 8.401 0.115 1.00 0.00 H new ATOM 0 HG SER A 26 -2.804 9.354 0.672 1.00 0.00 H new ATOM 380 N ARG A 27 -0.438 8.204 -2.737 1.00 0.00 N ATOM 381 CA ARG A 27 -0.310 8.977 -3.966 1.00 0.00 C ATOM 382 C ARG A 27 -0.642 8.091 -5.169 1.00 0.00 C ATOM 383 O ARG A 27 -1.330 8.524 -6.092 1.00 0.00 O ATOM 384 CB ARG A 27 1.104 9.546 -4.092 1.00 0.00 C ATOM 385 CG ARG A 27 1.222 10.352 -5.387 1.00 0.00 C ATOM 386 CD ARG A 27 2.576 11.062 -5.423 1.00 0.00 C ATOM 387 NE ARG A 27 2.719 11.824 -6.660 1.00 0.00 N ATOM 388 CZ ARG A 27 2.148 13.017 -6.808 1.00 0.00 C ATOM 389 NH1 ARG A 27 1.686 13.658 -5.769 1.00 0.00 N ATOM 390 NH2 ARG A 27 2.051 13.548 -7.996 1.00 0.00 N ATOM 0 H ARG A 27 0.414 8.131 -2.181 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.011 9.811 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.328 10.181 -3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.834 8.736 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.122 9.692 -6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.415 11.082 -5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.667 11.729 -4.565 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.380 10.330 -5.344 1.00 0.00 H new ATOM 0 HE ARG A 27 3.268 11.434 -7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.762 13.245 -4.840 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.249 14.572 -5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.412 13.049 -8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.614 14.462 -8.112 1.00 0.00 H new ATOM 404 N ARG A 28 -0.166 6.849 -5.147 1.00 0.00 N ATOM 405 CA ARG A 28 -0.440 5.915 -6.240 1.00 0.00 C ATOM 406 C ARG A 28 -1.939 5.646 -6.364 1.00 0.00 C ATOM 407 O ARG A 28 -2.479 5.546 -7.465 1.00 0.00 O ATOM 408 CB ARG A 28 0.279 4.590 -5.975 1.00 0.00 C ATOM 409 CG ARG A 28 1.801 4.756 -6.109 1.00 0.00 C ATOM 410 CD ARG A 28 2.230 4.735 -7.583 1.00 0.00 C ATOM 411 NE ARG A 28 3.686 4.699 -7.673 1.00 0.00 N ATOM 412 CZ ARG A 28 4.314 4.936 -8.821 1.00 0.00 C ATOM 413 NH1 ARG A 28 3.690 5.544 -9.792 1.00 0.00 N ATOM 414 NH2 ARG A 28 5.555 4.560 -8.976 1.00 0.00 N ATOM 0 H ARG A 28 0.406 6.467 -4.394 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.082 6.361 -7.168 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.035 4.233 -4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.072 3.834 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.110 5.695 -5.650 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.307 3.956 -5.568 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.804 3.865 -8.083 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.846 5.617 -8.096 1.00 0.00 H new ATOM 0 HE ARG A 28 4.233 4.488 -6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.721 5.837 -9.671 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.171 5.726 -10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.042 4.085 -8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.037 4.742 -9.857 1.00 0.00 H new ATOM 428 N ILE A 29 -2.596 5.516 -5.214 1.00 0.00 N ATOM 429 CA ILE A 29 -4.029 5.241 -5.183 1.00 0.00 C ATOM 430 C ILE A 29 -4.833 6.402 -5.761 1.00 0.00 C ATOM 431 O ILE A 29 -5.740 6.203 -6.569 1.00 0.00 O ATOM 432 CB ILE A 29 -4.473 4.955 -3.738 1.00 0.00 C ATOM 433 CG1 ILE A 29 -3.847 3.625 -3.248 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.001 4.891 -3.656 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.551 2.384 -3.832 1.00 0.00 C ATOM 0 H ILE A 29 -2.161 5.596 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.220 4.364 -5.802 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.128 5.763 -3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.792 3.602 -3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.894 3.586 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.302 4.688 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.423 5.844 -3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.367 4.096 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.070 1.482 -3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.600 2.388 -3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.481 2.404 -4.920 1.00 0.00 H new ATOM 447 N GLN A 30 -4.487 7.611 -5.347 1.00 0.00 N ATOM 448 CA GLN A 30 -5.172 8.802 -5.832 1.00 0.00 C ATOM 449 C GLN A 30 -5.028 8.950 -7.339 1.00 0.00 C ATOM 450 O GLN A 30 -6.004 9.276 -8.016 1.00 0.00 O ATOM 451 CB GLN A 30 -4.621 10.048 -5.131 1.00 0.00 C ATOM 452 CG GLN A 30 -5.289 11.309 -5.692 1.00 0.00 C ATOM 453 CD GLN A 30 -4.915 12.514 -4.838 1.00 0.00 C ATOM 454 OE1 GLN A 30 -5.529 12.755 -3.799 1.00 0.00 O ATOM 455 NE2 GLN A 30 -3.933 13.286 -5.215 1.00 0.00 N ATOM 0 H GLN A 30 -3.739 7.795 -4.679 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.232 8.695 -5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.800 9.980 -4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.542 10.106 -5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.974 11.471 -6.723 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.372 11.183 -5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.427 13.083 -6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.672 14.093 -4.648 1.00 0.00 H new ATOM 464 N TYR A 31 -3.838 8.719 -7.889 1.00 0.00 N ATOM 465 CA TYR A 31 -3.660 8.849 -9.327 1.00 0.00 C ATOM 466 C TYR A 31 -4.486 7.784 -10.056 1.00 0.00 C ATOM 467 O TYR A 31 -5.080 8.057 -11.100 1.00 0.00 O ATOM 468 CB TYR A 31 -2.181 8.744 -9.711 1.00 0.00 C ATOM 469 CG TYR A 31 -2.039 8.884 -11.210 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.083 10.155 -11.800 1.00 0.00 C ATOM 471 CD2 TYR A 31 -1.864 7.748 -12.010 1.00 0.00 C ATOM 472 CE1 TYR A 31 -1.954 10.289 -13.188 1.00 0.00 C ATOM 473 CE2 TYR A 31 -1.734 7.884 -13.398 1.00 0.00 C ATOM 474 CZ TYR A 31 -1.780 9.153 -13.986 1.00 0.00 C ATOM 475 OH TYR A 31 -1.654 9.284 -15.354 1.00 0.00 O ATOM 0 H TYR A 31 -3.002 8.447 -7.372 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.012 9.835 -9.630 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.607 9.521 -9.206 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.776 7.786 -9.384 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.217 11.032 -11.183 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.829 6.768 -11.557 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.989 11.268 -13.642 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.598 7.008 -14.015 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.539 8.399 -15.758 1.00 0.00 H new ATOM 485 N ALA A 32 -4.515 6.570 -9.509 1.00 0.00 N ATOM 486 CA ALA A 32 -5.264 5.475 -10.127 1.00 0.00 C ATOM 487 C ALA A 32 -6.777 5.673 -10.015 1.00 0.00 C ATOM 488 O ALA A 32 -7.527 5.329 -10.928 1.00 0.00 O ATOM 489 CB ALA A 32 -4.883 4.156 -9.452 1.00 0.00 C ATOM 0 H ALA A 32 -4.033 6.320 -8.646 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.006 5.458 -11.186 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.440 3.339 -9.910 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.814 3.980 -9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.123 4.208 -8.390 1.00 0.00 H new ATOM 495 N PHE A 33 -7.216 6.205 -8.873 1.00 0.00 N ATOM 496 CA PHE A 33 -8.648 6.425 -8.617 1.00 0.00 C ATOM 497 C PHE A 33 -8.949 7.907 -8.383 1.00 0.00 C ATOM 498 O PHE A 33 -8.916 8.374 -7.244 1.00 0.00 O ATOM 499 CB PHE A 33 -9.061 5.633 -7.377 1.00 0.00 C ATOM 500 CG PHE A 33 -8.947 4.158 -7.674 1.00 0.00 C ATOM 501 CD1 PHE A 33 -9.972 3.502 -8.370 1.00 0.00 C ATOM 502 CD2 PHE A 33 -7.814 3.448 -7.263 1.00 0.00 C ATOM 503 CE1 PHE A 33 -9.861 2.135 -8.652 1.00 0.00 C ATOM 504 CE2 PHE A 33 -7.705 2.081 -7.544 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.728 1.425 -8.238 1.00 0.00 C ATOM 0 H PHE A 33 -6.604 6.493 -8.109 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.208 6.092 -9.491 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.424 5.897 -6.533 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.084 5.882 -7.095 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.846 4.050 -8.688 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.024 3.954 -6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.649 1.629 -9.189 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.831 1.532 -7.225 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.643 0.370 -8.454 1.00 0.00 H new ATOM 515 N PRO A 34 -9.239 8.657 -9.420 1.00 0.00 N ATOM 516 CA PRO A 34 -9.543 10.110 -9.290 1.00 0.00 C ATOM 517 C PRO A 34 -10.941 10.405 -8.729 1.00 0.00 C ATOM 518 O PRO A 34 -11.193 11.481 -8.185 1.00 0.00 O ATOM 519 CB PRO A 34 -9.422 10.658 -10.743 1.00 0.00 C ATOM 520 CG PRO A 34 -9.034 9.494 -11.620 1.00 0.00 C ATOM 521 CD PRO A 34 -9.305 8.218 -10.824 1.00 0.00 C ATOM 0 HA PRO A 34 -8.861 10.578 -8.580 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.367 11.091 -11.072 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.673 11.448 -10.796 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.611 9.500 -12.545 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.982 9.557 -11.900 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.281 7.796 -11.065 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.563 7.449 -11.038 1.00 0.00 H new ATOM 529 N ASP A 35 -11.858 9.455 -8.929 1.00 0.00 N ATOM 530 CA ASP A 35 -13.256 9.625 -8.511 1.00 0.00 C ATOM 531 C ASP A 35 -13.591 8.989 -7.159 1.00 0.00 C ATOM 532 O ASP A 35 -14.714 9.169 -6.686 1.00 0.00 O ATOM 533 CB ASP A 35 -14.169 8.995 -9.564 1.00 0.00 C ATOM 534 CG ASP A 35 -13.870 7.504 -9.686 1.00 0.00 C ATOM 535 OD1 ASP A 35 -12.996 7.034 -8.976 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.525 6.852 -10.483 1.00 0.00 O ATOM 0 H ASP A 35 -11.660 8.560 -9.377 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.411 10.699 -8.408 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.213 9.144 -9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.020 9.484 -10.526 1.00 0.00 H new ATOM 541 N ASN A 36 -12.683 8.214 -6.545 1.00 0.00 N ATOM 542 CA ASN A 36 -13.019 7.548 -5.266 1.00 0.00 C ATOM 543 C ASN A 36 -12.013 7.849 -4.166 1.00 0.00 C ATOM 544 O ASN A 36 -10.813 7.666 -4.372 1.00 0.00 O ATOM 545 CB ASN A 36 -13.019 6.035 -5.496 1.00 0.00 C ATOM 546 CG ASN A 36 -14.183 5.641 -6.398 1.00 0.00 C ATOM 547 OD1 ASN A 36 -15.168 6.372 -6.497 1.00 0.00 O ATOM 548 ND2 ASN A 36 -14.123 4.524 -7.069 1.00 0.00 N ATOM 0 H ASN A 36 -11.742 8.034 -6.894 1.00 0.00 H new ATOM 0 HA ASN A 36 -13.992 7.921 -4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.077 5.729 -5.951 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.096 5.514 -4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.894 4.253 -7.679 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.305 3.921 -6.984 1.00 0.00 H new ATOM 555 N GLU A 37 -12.466 8.265 -2.996 1.00 0.00 N ATOM 556 CA GLU A 37 -11.561 8.527 -1.890 1.00 0.00 C ATOM 557 C GLU A 37 -10.846 7.250 -1.453 1.00 0.00 C ATOM 558 O GLU A 37 -11.485 6.272 -1.062 1.00 0.00 O ATOM 559 CB GLU A 37 -12.441 9.000 -0.715 1.00 0.00 C ATOM 560 CG GLU A 37 -11.611 9.300 0.549 1.00 0.00 C ATOM 561 CD GLU A 37 -12.546 9.760 1.663 1.00 0.00 C ATOM 562 OE1 GLU A 37 -13.722 9.931 1.388 1.00 0.00 O ATOM 563 OE2 GLU A 37 -12.070 9.939 2.772 1.00 0.00 O ATOM 0 H GLU A 37 -13.451 8.428 -2.788 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.811 9.261 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.988 9.896 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.183 8.234 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.065 8.409 0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.870 10.071 0.338 1.00 0.00 H new ATOM 570 N GLY A 38 -9.521 7.278 -1.484 1.00 0.00 N ATOM 571 CA GLY A 38 -8.743 6.115 -1.044 1.00 0.00 C ATOM 572 C GLY A 38 -8.036 6.371 0.277 1.00 0.00 C ATOM 573 O GLY A 38 -7.235 7.305 0.352 1.00 0.00 O ATOM 0 H GLY A 38 -8.966 8.073 -1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.404 5.254 -0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.006 5.862 -1.807 1.00 0.00 H new ATOM 577 N HIS A 39 -8.275 5.555 1.313 1.00 0.00 N ATOM 578 CA HIS A 39 -7.581 5.751 2.595 1.00 0.00 C ATOM 579 C HIS A 39 -6.674 4.554 2.828 1.00 0.00 C ATOM 580 O HIS A 39 -7.144 3.416 2.815 1.00 0.00 O ATOM 581 CB HIS A 39 -8.588 5.858 3.741 1.00 0.00 C ATOM 582 CG HIS A 39 -7.844 6.057 5.033 1.00 0.00 C ATOM 583 ND1 HIS A 39 -7.011 7.145 5.247 1.00 0.00 N ATOM 584 CD2 HIS A 39 -7.777 5.303 6.179 1.00 0.00 C ATOM 585 CE1 HIS A 39 -6.484 7.016 6.479 1.00 0.00 C ATOM 586 NE2 HIS A 39 -6.918 5.911 7.091 1.00 0.00 N ATOM 0 H HIS A 39 -8.927 4.771 1.293 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.002 6.674 2.561 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.269 6.691 3.567 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.196 4.955 3.793 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.310 4.379 6.347 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.794 7.721 6.919 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.673 5.583 8.025 1.00 0.00 H new ATOM 594 N VAL A 40 -5.378 4.793 3.003 1.00 0.00 N ATOM 595 CA VAL A 40 -4.428 3.709 3.193 1.00 0.00 C ATOM 596 C VAL A 40 -3.843 3.739 4.598 1.00 0.00 C ATOM 597 O VAL A 40 -3.354 4.772 5.055 1.00 0.00 O ATOM 598 CB VAL A 40 -3.312 3.859 2.160 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.327 2.701 2.298 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.923 3.850 0.752 1.00 0.00 C ATOM 0 H VAL A 40 -4.965 5.726 3.017 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.938 2.754 3.064 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.785 4.799 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.532 2.810 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.896 2.707 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.848 1.758 2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.131 3.957 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.448 2.909 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.625 4.678 0.655 1.00 0.00 H new ATOM 610 N SER A 41 -3.878 2.590 5.266 1.00 0.00 N ATOM 611 CA SER A 41 -3.323 2.475 6.619 1.00 0.00 C ATOM 612 C SER A 41 -2.312 1.343 6.675 1.00 0.00 C ATOM 613 O SER A 41 -2.523 0.277 6.097 1.00 0.00 O ATOM 614 CB SER A 41 -4.430 2.245 7.647 1.00 0.00 C ATOM 615 OG SER A 41 -3.842 1.939 8.905 1.00 0.00 O ATOM 0 H SER A 41 -4.281 1.728 4.899 1.00 0.00 H new ATOM 0 HA SER A 41 -2.822 3.412 6.863 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.056 3.134 7.731 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.077 1.429 7.326 1.00 0.00 H new ATOM 0 HG SER A 41 -4.548 1.792 9.569 1.00 0.00 H new ATOM 621 N VAL A 42 -1.220 1.577 7.400 1.00 0.00 N ATOM 622 CA VAL A 42 -0.180 0.559 7.558 1.00 0.00 C ATOM 623 C VAL A 42 0.127 0.386 9.037 1.00 0.00 C ATOM 624 O VAL A 42 0.415 1.353 9.742 1.00 0.00 O ATOM 625 CB VAL A 42 1.091 0.951 6.799 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.107 -0.190 6.878 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.756 1.241 5.333 1.00 0.00 C ATOM 0 H VAL A 42 -1.032 2.455 7.884 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.541 -0.382 7.143 1.00 0.00 H new ATOM 0 HB VAL A 42 1.515 1.847 7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.011 0.090 6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.354 -0.386 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.681 -1.088 6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.665 1.519 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.325 0.351 4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.039 2.060 5.279 1.00 0.00 H new ATOM 637 N ARG A 43 0.053 -0.861 9.505 1.00 0.00 N ATOM 638 CA ARG A 43 0.313 -1.158 10.911 1.00 0.00 C ATOM 639 C ARG A 43 0.961 -2.531 11.054 1.00 0.00 C ATOM 640 O ARG A 43 0.825 -3.385 10.178 1.00 0.00 O ATOM 641 CB ARG A 43 -1.003 -1.099 11.701 1.00 0.00 C ATOM 642 CG ARG A 43 -0.785 -1.567 13.143 1.00 0.00 C ATOM 643 CD ARG A 43 -2.059 -1.323 13.954 1.00 0.00 C ATOM 644 NE ARG A 43 -2.265 0.106 14.162 1.00 0.00 N ATOM 645 CZ ARG A 43 -3.436 0.582 14.574 1.00 0.00 C ATOM 646 NH1 ARG A 43 -4.355 -0.234 15.015 1.00 0.00 N ATOM 647 NH2 ARG A 43 -3.668 1.865 14.540 1.00 0.00 N ATOM 0 H ARG A 43 -0.183 -1.674 8.936 1.00 0.00 H new ATOM 0 HA ARG A 43 1.002 -0.414 11.312 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.390 -0.080 11.698 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.752 -1.726 11.218 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.528 -2.626 13.158 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.052 -1.029 13.589 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.916 -1.748 13.432 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.988 -1.830 14.916 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.496 0.753 13.988 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.175 -1.238 15.044 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.253 0.132 15.331 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.951 2.504 14.197 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.567 2.229 14.856 1.00 0.00 H new ATOM 661 N TYR A 44 1.645 -2.745 12.169 1.00 0.00 N ATOM 662 CA TYR A 44 2.288 -4.029 12.419 1.00 0.00 C ATOM 663 C TYR A 44 1.255 -5.011 12.967 1.00 0.00 C ATOM 664 O TYR A 44 0.432 -4.657 13.811 1.00 0.00 O ATOM 665 CB TYR A 44 3.423 -3.888 13.435 1.00 0.00 C ATOM 666 CG TYR A 44 4.573 -3.089 12.865 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.472 -3.688 11.972 1.00 0.00 C ATOM 668 CD2 TYR A 44 4.754 -1.754 13.250 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.548 -2.951 11.464 1.00 0.00 C ATOM 670 CE2 TYR A 44 5.829 -1.017 12.743 1.00 0.00 C ATOM 671 CZ TYR A 44 6.727 -1.615 11.850 1.00 0.00 C ATOM 672 OH TYR A 44 7.790 -0.889 11.350 1.00 0.00 O ATOM 0 H TYR A 44 1.769 -2.054 12.909 1.00 0.00 H new ATOM 0 HA TYR A 44 2.703 -4.393 11.479 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.050 -3.401 14.336 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.775 -4.877 13.730 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.335 -4.718 11.676 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.062 -1.293 13.940 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.240 -3.411 10.775 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.967 0.012 13.040 1.00 0.00 H new ATOM 0 HH TYR A 44 7.767 0.019 11.717 1.00 0.00 H new ATOM 682 N ALA A 45 1.309 -6.255 12.479 1.00 0.00 N ATOM 683 CA ALA A 45 0.388 -7.308 12.911 1.00 0.00 C ATOM 684 C ALA A 45 1.145 -8.628 13.019 1.00 0.00 C ATOM 685 O ALA A 45 2.273 -8.736 12.542 1.00 0.00 O ATOM 686 CB ALA A 45 -0.757 -7.460 11.903 1.00 0.00 C ATOM 0 H ALA A 45 1.987 -6.557 11.779 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.028 -7.038 13.881 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.434 -8.246 12.237 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.303 -6.519 11.828 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.350 -7.722 10.927 1.00 0.00 H new ATOM 692 N ALA A 46 0.536 -9.628 13.647 1.00 0.00 N ATOM 693 CA ALA A 46 1.202 -10.919 13.792 1.00 0.00 C ATOM 694 C ALA A 46 1.523 -11.519 12.421 1.00 0.00 C ATOM 695 O ALA A 46 2.460 -12.309 12.299 1.00 0.00 O ATOM 696 CB ALA A 46 0.359 -11.885 14.623 1.00 0.00 C ATOM 0 H ALA A 46 -0.397 -9.574 14.056 1.00 0.00 H new ATOM 0 HA ALA A 46 2.140 -10.755 14.322 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.881 -12.838 14.714 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.196 -11.465 15.615 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.602 -12.043 14.134 1.00 0.00 H new ATOM 702 N ALA A 47 0.731 -11.186 11.392 1.00 0.00 N ATOM 703 CA ALA A 47 0.954 -11.763 10.055 1.00 0.00 C ATOM 704 C ALA A 47 0.764 -10.745 8.930 1.00 0.00 C ATOM 705 O ALA A 47 -0.020 -9.804 9.054 1.00 0.00 O ATOM 706 CB ALA A 47 0.004 -12.943 9.839 1.00 0.00 C ATOM 0 H ALA A 47 -0.053 -10.536 11.454 1.00 0.00 H new ATOM 0 HA ALA A 47 1.992 -12.094 10.019 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.171 -13.368 8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.191 -13.704 10.597 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.027 -12.599 9.917 1.00 0.00 H new ATOM 712 N ASN A 48 1.461 -10.974 7.812 1.00 0.00 N ATOM 713 CA ASN A 48 1.334 -10.106 6.643 1.00 0.00 C ATOM 714 C ASN A 48 -0.026 -10.363 6.001 1.00 0.00 C ATOM 715 O ASN A 48 -0.370 -11.510 5.713 1.00 0.00 O ATOM 716 CB ASN A 48 2.437 -10.420 5.631 1.00 0.00 C ATOM 717 CG ASN A 48 2.466 -9.349 4.548 1.00 0.00 C ATOM 718 OD1 ASN A 48 2.488 -8.157 4.856 1.00 0.00 O ATOM 719 ND2 ASN A 48 2.456 -9.701 3.292 1.00 0.00 N ATOM 0 H ASN A 48 2.114 -11.749 7.695 1.00 0.00 H new ATOM 0 HA ASN A 48 1.424 -9.063 6.948 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.402 -10.467 6.135 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.264 -11.398 5.183 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.466 -8.988 2.562 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.438 -10.689 3.039 1.00 0.00 H new ATOM 726 N ASN A 49 -0.802 -9.306 5.773 1.00 0.00 N ATOM 727 CA ASN A 49 -2.121 -9.452 5.162 1.00 0.00 C ATOM 728 C ASN A 49 -2.522 -8.170 4.434 1.00 0.00 C ATOM 729 O ASN A 49 -2.138 -7.072 4.834 1.00 0.00 O ATOM 730 CB ASN A 49 -3.163 -9.761 6.241 1.00 0.00 C ATOM 731 CG ASN A 49 -4.486 -10.148 5.590 1.00 0.00 C ATOM 732 OD1 ASN A 49 -5.308 -9.283 5.293 1.00 0.00 O ATOM 733 ND2 ASN A 49 -4.745 -11.406 5.359 1.00 0.00 N ATOM 0 H ASN A 49 -0.543 -8.346 6.000 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.077 -10.271 4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.810 -10.572 6.878 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.304 -8.891 6.882 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.631 -11.674 4.931 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.061 -12.121 5.606 1.00 0.00 H new ATOM 740 N LEU A 50 -3.330 -8.320 3.382 1.00 0.00 N ATOM 741 CA LEU A 50 -3.830 -7.180 2.608 1.00 0.00 C ATOM 742 C LEU A 50 -5.351 -7.299 2.570 1.00 0.00 C ATOM 743 O LEU A 50 -5.876 -8.318 2.120 1.00 0.00 O ATOM 744 CB LEU A 50 -3.264 -7.228 1.182 1.00 0.00 C ATOM 745 CG LEU A 50 -3.783 -6.031 0.357 1.00 0.00 C ATOM 746 CD1 LEU A 50 -3.278 -4.713 0.956 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.304 -6.157 -1.099 1.00 0.00 C ATOM 0 H LEU A 50 -3.654 -9.226 3.044 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.525 -6.237 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.175 -7.210 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.553 -8.162 0.700 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.873 -6.033 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.652 -3.878 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.635 -4.619 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.188 -4.704 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.673 -5.310 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.214 -6.167 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.685 -7.083 -1.529 1.00 0.00 H new ATOM 759 N SER A 51 -6.068 -6.270 3.031 1.00 0.00 N ATOM 760 CA SER A 51 -7.536 -6.297 3.028 1.00 0.00 C ATOM 761 C SER A 51 -8.087 -5.088 2.269 1.00 0.00 C ATOM 762 O SER A 51 -7.685 -3.955 2.532 1.00 0.00 O ATOM 763 CB SER A 51 -8.044 -6.244 4.468 1.00 0.00 C ATOM 764 OG SER A 51 -7.537 -7.360 5.187 1.00 0.00 O ATOM 0 H SER A 51 -5.661 -5.414 3.408 1.00 0.00 H new ATOM 0 HA SER A 51 -7.870 -7.213 2.541 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.727 -5.316 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.134 -6.253 4.482 1.00 0.00 H new ATOM 0 HG SER A 51 -7.860 -7.328 6.112 1.00 0.00 H new ATOM 770 N VAL A 52 -9.023 -5.327 1.347 1.00 0.00 N ATOM 771 CA VAL A 52 -9.640 -4.240 0.580 1.00 0.00 C ATOM 772 C VAL A 52 -11.160 -4.306 0.736 1.00 0.00 C ATOM 773 O VAL A 52 -11.767 -5.348 0.487 1.00 0.00 O ATOM 774 CB VAL A 52 -9.264 -4.360 -0.898 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.891 -3.204 -1.680 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.741 -4.303 -1.038 1.00 0.00 C ATOM 0 H VAL A 52 -9.369 -6.258 1.114 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.277 -3.284 0.958 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.633 -5.307 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.623 -3.289 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.976 -3.241 -1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.522 -2.257 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.469 -4.388 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.375 -3.355 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.293 -5.125 -0.480 1.00 0.00 H new ATOM 786 N ILE A 53 -11.778 -3.192 1.141 1.00 0.00 N ATOM 787 CA ILE A 53 -13.237 -3.139 1.316 1.00 0.00 C ATOM 788 C ILE A 53 -13.841 -2.029 0.457 1.00 0.00 C ATOM 789 O ILE A 53 -13.387 -0.886 0.496 1.00 0.00 O ATOM 790 CB ILE A 53 -13.590 -2.880 2.787 1.00 0.00 C ATOM 791 CG1 ILE A 53 -13.019 -3.997 3.667 1.00 0.00 C ATOM 792 CG2 ILE A 53 -15.113 -2.846 2.953 1.00 0.00 C ATOM 793 CD1 ILE A 53 -13.077 -3.560 5.131 1.00 0.00 C ATOM 0 H ILE A 53 -11.296 -2.318 1.353 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.647 -4.100 1.006 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.163 -1.924 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.589 -4.915 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.990 -4.213 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.361 -2.662 3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.529 -2.049 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.534 -3.802 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.672 -4.350 5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.488 -2.652 5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -14.112 -3.365 5.412 1.00 0.00 H new ATOM 805 N GLY A 54 -14.882 -2.369 -0.301 1.00 0.00 N ATOM 806 CA GLY A 54 -15.563 -1.387 -1.147 1.00 0.00 C ATOM 807 C GLY A 54 -15.006 -1.380 -2.567 1.00 0.00 C ATOM 808 O GLY A 54 -15.264 -0.445 -3.327 1.00 0.00 O ATOM 0 H GLY A 54 -15.271 -3.311 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.630 -1.610 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.456 -0.394 -0.710 1.00 0.00 H new ATOM 812 N ALA A 55 -14.216 -2.400 -2.916 1.00 0.00 N ATOM 813 CA ALA A 55 -13.601 -2.466 -4.251 1.00 0.00 C ATOM 814 C ALA A 55 -13.985 -3.745 -4.994 1.00 0.00 C ATOM 815 O ALA A 55 -14.417 -4.734 -4.401 1.00 0.00 O ATOM 816 CB ALA A 55 -12.075 -2.374 -4.118 1.00 0.00 C ATOM 0 H ALA A 55 -13.988 -3.183 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.975 -1.625 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.620 -2.423 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.807 -1.431 -3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.712 -3.203 -3.510 1.00 0.00 H new ATOM 822 N THR A 56 -13.773 -3.694 -6.308 1.00 0.00 N ATOM 823 CA THR A 56 -14.021 -4.799 -7.226 1.00 0.00 C ATOM 824 C THR A 56 -12.756 -5.631 -7.406 1.00 0.00 C ATOM 825 O THR A 56 -11.650 -5.180 -7.112 1.00 0.00 O ATOM 826 CB THR A 56 -14.413 -4.223 -8.592 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.355 -3.411 -9.082 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.685 -3.382 -8.453 1.00 0.00 C ATOM 0 H THR A 56 -13.415 -2.860 -6.773 1.00 0.00 H new ATOM 0 HA THR A 56 -14.815 -5.426 -6.821 1.00 0.00 H new ATOM 0 HB THR A 56 -14.599 -5.040 -9.290 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.608 -2.467 -9.013 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.960 -2.975 -9.426 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.496 -4.007 -8.079 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.506 -2.564 -7.755 1.00 0.00 H new ATOM 836 N LYS A 57 -12.943 -6.876 -7.846 1.00 0.00 N ATOM 837 CA LYS A 57 -11.822 -7.806 -8.015 1.00 0.00 C ATOM 838 C LYS A 57 -10.766 -7.287 -8.991 1.00 0.00 C ATOM 839 O LYS A 57 -9.572 -7.433 -8.732 1.00 0.00 O ATOM 840 CB LYS A 57 -12.330 -9.187 -8.495 1.00 0.00 C ATOM 841 CG LYS A 57 -11.160 -10.178 -8.686 1.00 0.00 C ATOM 842 CD LYS A 57 -11.718 -11.520 -9.158 1.00 0.00 C ATOM 843 CE LYS A 57 -10.565 -12.429 -9.588 1.00 0.00 C ATOM 844 NZ LYS A 57 -11.098 -13.781 -9.916 1.00 0.00 N ATOM 0 H LYS A 57 -13.854 -7.264 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.350 -7.902 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.036 -9.590 -7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.870 -9.072 -9.435 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.451 -9.787 -9.416 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.617 -10.304 -7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.287 -11.991 -8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.405 -11.368 -9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.057 -12.006 -10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.826 -12.501 -8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.316 -14.401 -10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.564 -14.183 -9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.787 -13.704 -10.691 1.00 0.00 H new ATOM 858 N GLU A 58 -11.173 -6.662 -10.093 1.00 0.00 N ATOM 859 CA GLU A 58 -10.196 -6.123 -11.039 1.00 0.00 C ATOM 860 C GLU A 58 -9.419 -4.983 -10.400 1.00 0.00 C ATOM 861 O GLU A 58 -8.215 -4.840 -10.618 1.00 0.00 O ATOM 862 CB GLU A 58 -10.892 -5.628 -12.316 1.00 0.00 C ATOM 863 CG GLU A 58 -11.302 -6.817 -13.203 1.00 0.00 C ATOM 864 CD GLU A 58 -10.063 -7.488 -13.785 1.00 0.00 C ATOM 865 OE1 GLU A 58 -8.989 -6.926 -13.650 1.00 0.00 O ATOM 866 OE2 GLU A 58 -10.206 -8.551 -14.367 1.00 0.00 O ATOM 0 H GLU A 58 -12.149 -6.517 -10.351 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.504 -6.921 -11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.773 -5.042 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.224 -4.968 -12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.874 -7.537 -12.618 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.951 -6.473 -14.008 1.00 0.00 H new ATOM 873 N ASP A 59 -10.113 -4.181 -9.583 1.00 0.00 N ATOM 874 CA ASP A 59 -9.468 -3.076 -8.894 1.00 0.00 C ATOM 875 C ASP A 59 -8.430 -3.642 -7.941 1.00 0.00 C ATOM 876 O ASP A 59 -7.301 -3.161 -7.861 1.00 0.00 O ATOM 877 CB ASP A 59 -10.497 -2.261 -8.107 1.00 0.00 C ATOM 878 CG ASP A 59 -11.403 -1.497 -9.065 1.00 0.00 C ATOM 879 OD1 ASP A 59 -11.007 -1.310 -10.203 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.482 -1.110 -8.646 1.00 0.00 O ATOM 0 H ASP A 59 -11.109 -4.281 -9.390 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.995 -2.419 -9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.094 -2.923 -7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.988 -1.564 -7.441 1.00 0.00 H new ATOM 885 N LYS A 60 -8.843 -4.679 -7.226 1.00 0.00 N ATOM 886 CA LYS A 60 -7.961 -5.330 -6.273 1.00 0.00 C ATOM 887 C LYS A 60 -6.740 -5.922 -6.978 1.00 0.00 C ATOM 888 O LYS A 60 -5.628 -5.809 -6.463 1.00 0.00 O ATOM 889 CB LYS A 60 -8.710 -6.398 -5.467 1.00 0.00 C ATOM 890 CG LYS A 60 -7.761 -7.060 -4.460 1.00 0.00 C ATOM 891 CD LYS A 60 -8.517 -8.123 -3.662 1.00 0.00 C ATOM 892 CE LYS A 60 -7.533 -8.877 -2.765 1.00 0.00 C ATOM 893 NZ LYS A 60 -8.271 -9.870 -1.936 1.00 0.00 N ATOM 0 H LYS A 60 -9.777 -5.084 -7.288 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.608 -4.575 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.551 -5.945 -4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.121 -7.150 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.919 -7.514 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.350 -6.309 -3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.294 -7.656 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.015 -8.817 -4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.784 -9.382 -3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.001 -8.176 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.600 -10.381 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.970 -9.377 -1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.759 -10.546 -2.557 1.00 0.00 H new ATOM 907 N GLN A 61 -6.908 -6.519 -8.157 1.00 0.00 N ATOM 908 CA GLN A 61 -5.751 -7.056 -8.866 1.00 0.00 C ATOM 909 C GLN A 61 -4.831 -5.895 -9.230 1.00 0.00 C ATOM 910 O GLN A 61 -3.613 -5.991 -9.072 1.00 0.00 O ATOM 911 CB GLN A 61 -6.190 -7.809 -10.128 1.00 0.00 C ATOM 912 CG GLN A 61 -4.957 -8.365 -10.844 1.00 0.00 C ATOM 913 CD GLN A 61 -5.376 -9.249 -12.015 1.00 0.00 C ATOM 914 OE1 GLN A 61 -4.523 -9.791 -12.718 1.00 0.00 O ATOM 915 NE2 GLN A 61 -6.643 -9.421 -12.275 1.00 0.00 N ATOM 0 H GLN A 61 -7.804 -6.640 -8.628 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.223 -7.764 -8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.867 -8.621 -9.863 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.738 -7.140 -10.791 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.336 -7.544 -11.203 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.351 -8.940 -10.144 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.349 -8.971 -11.692 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.928 -10.005 -13.061 1.00 0.00 H new ATOM 924 N ARG A 62 -5.412 -4.792 -9.730 1.00 0.00 N ATOM 925 CA ARG A 62 -4.607 -3.637 -10.110 1.00 0.00 C ATOM 926 C ARG A 62 -3.848 -3.126 -8.896 1.00 0.00 C ATOM 927 O ARG A 62 -2.652 -2.848 -8.972 1.00 0.00 O ATOM 928 CB ARG A 62 -5.483 -2.531 -10.715 1.00 0.00 C ATOM 929 CG ARG A 62 -4.631 -1.303 -11.070 1.00 0.00 C ATOM 930 CD ARG A 62 -5.529 -0.237 -11.699 1.00 0.00 C ATOM 931 NE ARG A 62 -4.751 0.942 -12.064 1.00 0.00 N ATOM 932 CZ ARG A 62 -5.345 2.023 -12.557 1.00 0.00 C ATOM 933 NH1 ARG A 62 -6.639 2.032 -12.723 1.00 0.00 N ATOM 934 NH2 ARG A 62 -4.638 3.073 -12.875 1.00 0.00 N ATOM 0 H ARG A 62 -6.416 -4.683 -9.876 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.891 -3.941 -10.874 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.984 -2.904 -11.608 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.262 -2.248 -10.007 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.149 -0.909 -10.176 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.838 -1.583 -11.763 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.020 -0.643 -12.583 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.316 0.043 -10.998 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.739 0.936 -11.939 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.191 1.211 -12.474 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.099 2.860 -13.101 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.626 3.065 -12.745 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.097 3.902 -13.253 1.00 0.00 H new ATOM 948 N ILE A 63 -4.544 -3.010 -7.774 1.00 0.00 N ATOM 949 CA ILE A 63 -3.893 -2.534 -6.564 1.00 0.00 C ATOM 950 C ILE A 63 -2.749 -3.469 -6.184 1.00 0.00 C ATOM 951 O ILE A 63 -1.656 -3.008 -5.857 1.00 0.00 O ATOM 952 CB ILE A 63 -4.893 -2.375 -5.419 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.834 -1.203 -5.721 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.146 -2.103 -4.108 1.00 0.00 C ATOM 955 CD1 ILE A 63 -6.995 -1.201 -4.722 1.00 0.00 C ATOM 0 H ILE A 63 -5.535 -3.233 -7.677 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.477 -1.546 -6.760 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.471 -3.293 -5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.288 -0.261 -5.661 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.217 -1.285 -6.738 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.865 -1.991 -3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.479 -2.937 -3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.562 -1.188 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.661 -0.366 -4.940 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.547 -2.137 -4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.604 -1.098 -3.710 1.00 0.00 H new ATOM 967 N SER A 64 -2.972 -4.773 -6.277 1.00 0.00 N ATOM 968 CA SER A 64 -1.896 -5.707 -5.983 1.00 0.00 C ATOM 969 C SER A 64 -0.756 -5.420 -6.959 1.00 0.00 C ATOM 970 O SER A 64 0.408 -5.438 -6.561 1.00 0.00 O ATOM 971 CB SER A 64 -2.379 -7.149 -6.153 1.00 0.00 C ATOM 972 OG SER A 64 -3.458 -7.392 -5.262 1.00 0.00 O ATOM 0 H SER A 64 -3.860 -5.198 -6.545 1.00 0.00 H new ATOM 0 HA SER A 64 -1.561 -5.585 -4.953 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.697 -7.319 -7.182 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.563 -7.844 -5.952 1.00 0.00 H new ATOM 0 HG SER A 64 -4.246 -6.891 -5.559 1.00 0.00 H new ATOM 978 N GLU A 65 -1.065 -5.149 -8.243 1.00 0.00 N ATOM 979 CA GLU A 65 -0.011 -4.864 -9.215 1.00 0.00 C ATOM 980 C GLU A 65 0.734 -3.590 -8.814 1.00 0.00 C ATOM 981 O GLU A 65 1.962 -3.539 -8.872 1.00 0.00 O ATOM 982 CB GLU A 65 -0.590 -4.724 -10.624 1.00 0.00 C ATOM 983 CG GLU A 65 -1.065 -6.091 -11.122 1.00 0.00 C ATOM 984 CD GLU A 65 0.133 -6.997 -11.384 1.00 0.00 C ATOM 985 OE1 GLU A 65 1.222 -6.473 -11.543 1.00 0.00 O ATOM 986 OE2 GLU A 65 -0.056 -8.201 -11.421 1.00 0.00 O ATOM 0 H GLU A 65 -2.014 -5.123 -8.617 1.00 0.00 H new ATOM 0 HA GLU A 65 0.690 -5.699 -9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.421 -4.019 -10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.165 -4.322 -11.300 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.722 -6.548 -10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.648 -5.972 -12.035 1.00 0.00 H new ATOM 993 N ILE A 66 -0.009 -2.571 -8.403 1.00 0.00 N ATOM 994 CA ILE A 66 0.603 -1.310 -7.990 1.00 0.00 C ATOM 995 C ILE A 66 1.549 -1.525 -6.813 1.00 0.00 C ATOM 996 O ILE A 66 2.670 -1.019 -6.803 1.00 0.00 O ATOM 997 CB ILE A 66 -0.500 -0.303 -7.635 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.202 0.134 -8.930 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.092 0.925 -6.935 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.422 0.997 -8.602 1.00 0.00 C ATOM 0 H ILE A 66 -1.027 -2.589 -8.346 1.00 0.00 H new ATOM 0 HA ILE A 66 1.195 -0.912 -8.814 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.211 -0.775 -6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.509 0.694 -9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.510 -0.743 -9.500 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.707 1.626 -6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.594 0.615 -6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.811 1.409 -7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.912 1.301 -9.527 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.121 0.423 -7.993 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.104 1.883 -8.052 1.00 0.00 H new ATOM 1012 N LEU A 67 1.094 -2.282 -5.832 1.00 0.00 N ATOM 1013 CA LEU A 67 1.914 -2.556 -4.675 1.00 0.00 C ATOM 1014 C LEU A 67 3.184 -3.261 -5.125 1.00 0.00 C ATOM 1015 O LEU A 67 4.276 -2.957 -4.646 1.00 0.00 O ATOM 1016 CB LEU A 67 1.130 -3.433 -3.677 1.00 0.00 C ATOM 1017 CG LEU A 67 2.034 -3.983 -2.550 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.468 -2.860 -1.592 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.243 -5.035 -1.765 1.00 0.00 C ATOM 0 H LEU A 67 0.170 -2.713 -5.816 1.00 0.00 H new ATOM 0 HA LEU A 67 2.180 -1.624 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.321 -2.848 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.670 -4.265 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 67 2.929 -4.419 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.103 -3.275 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.023 -2.103 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.586 -2.405 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.865 -5.435 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.352 -4.576 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.949 -5.843 -2.434 1.00 0.00 H new ATOM 1031 N GLN A 68 3.041 -4.183 -6.063 1.00 0.00 N ATOM 1032 CA GLN A 68 4.197 -4.892 -6.579 1.00 0.00 C ATOM 1033 C GLN A 68 5.171 -3.910 -7.247 1.00 0.00 C ATOM 1034 O GLN A 68 6.361 -3.914 -6.936 1.00 0.00 O ATOM 1035 CB GLN A 68 3.756 -5.967 -7.578 1.00 0.00 C ATOM 1036 CG GLN A 68 4.977 -6.729 -8.107 1.00 0.00 C ATOM 1037 CD GLN A 68 4.531 -7.798 -9.099 1.00 0.00 C ATOM 1038 OE1 GLN A 68 3.988 -7.475 -10.156 1.00 0.00 O ATOM 1039 NE2 GLN A 68 4.731 -9.057 -8.823 1.00 0.00 N ATOM 0 H GLN A 68 2.149 -4.454 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 68 4.709 -5.377 -5.748 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.066 -6.660 -7.097 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.219 -5.506 -8.407 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.667 -6.037 -8.590 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.515 -7.190 -7.279 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.181 -9.322 -7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.437 -9.777 -9.483 1.00 0.00 H new ATOM 1048 N GLU A 69 4.684 -3.091 -8.185 1.00 0.00 N ATOM 1049 CA GLU A 69 5.557 -2.150 -8.895 1.00 0.00 C ATOM 1050 C GLU A 69 6.229 -1.138 -7.960 1.00 0.00 C ATOM 1051 O GLU A 69 7.432 -0.901 -8.073 1.00 0.00 O ATOM 1052 CB GLU A 69 4.747 -1.412 -9.963 1.00 0.00 C ATOM 1053 CG GLU A 69 4.370 -2.391 -11.078 1.00 0.00 C ATOM 1054 CD GLU A 69 3.557 -1.674 -12.152 1.00 0.00 C ATOM 1055 OE1 GLU A 69 3.218 -0.521 -11.941 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.277 -2.293 -13.166 1.00 0.00 O ATOM 0 H GLU A 69 3.704 -3.060 -8.468 1.00 0.00 H new ATOM 0 HA GLU A 69 6.355 -2.733 -9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.848 -0.982 -9.521 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.329 -0.585 -10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.271 -2.818 -11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.793 -3.219 -10.666 1.00 0.00 H new ATOM 1063 N THR A 70 5.474 -0.541 -7.039 1.00 0.00 N ATOM 1064 CA THR A 70 6.067 0.427 -6.119 1.00 0.00 C ATOM 1065 C THR A 70 7.163 -0.239 -5.311 1.00 0.00 C ATOM 1066 O THR A 70 8.257 0.297 -5.138 1.00 0.00 O ATOM 1067 CB THR A 70 5.006 1.009 -5.196 1.00 0.00 C ATOM 1068 OG1 THR A 70 4.019 1.677 -5.973 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.655 1.997 -4.224 1.00 0.00 C ATOM 0 H THR A 70 4.475 -0.705 -6.911 1.00 0.00 H new ATOM 0 HA THR A 70 6.498 1.244 -6.698 1.00 0.00 H new ATOM 0 HB THR A 70 4.537 0.205 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.420 1.016 -6.379 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.893 2.412 -3.564 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.408 1.480 -3.629 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.127 2.803 -4.786 1.00 0.00 H new ATOM 1077 N TRP A 71 6.832 -1.419 -4.815 1.00 0.00 N ATOM 1078 CA TRP A 71 7.740 -2.210 -4.006 1.00 0.00 C ATOM 1079 C TRP A 71 9.002 -2.524 -4.801 1.00 0.00 C ATOM 1080 O TRP A 71 10.102 -2.490 -4.250 1.00 0.00 O ATOM 1081 CB TRP A 71 6.956 -3.461 -3.588 1.00 0.00 C ATOM 1082 CG TRP A 71 7.713 -4.341 -2.632 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.879 -5.673 -2.801 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.351 -4.013 -1.352 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.613 -6.176 -1.745 1.00 0.00 N ATOM 1086 CE2 TRP A 71 8.927 -5.197 -0.826 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.506 -2.823 -0.607 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.623 -5.202 0.382 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.204 -2.829 0.612 1.00 0.00 C ATOM 1090 CH2 TRP A 71 9.764 -4.015 1.103 1.00 0.00 C ATOM 0 H TRP A 71 5.922 -1.856 -4.963 1.00 0.00 H new ATOM 0 HA TRP A 71 8.081 -1.684 -3.114 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.017 -3.156 -3.126 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.701 -4.037 -4.478 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.498 -6.251 -3.630 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.890 -7.154 -1.656 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.084 -1.901 -0.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.051 -6.120 0.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.309 -1.913 1.174 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.304 -4.011 2.038 1.00 0.00 H new ATOM 1101 N GLU A 72 8.860 -2.833 -6.083 1.00 0.00 N ATOM 1102 CA GLU A 72 10.013 -3.155 -6.929 1.00 0.00 C ATOM 1103 C GLU A 72 10.820 -1.908 -7.299 1.00 0.00 C ATOM 1104 O GLU A 72 11.964 -2.040 -7.736 1.00 0.00 O ATOM 1105 CB GLU A 72 9.573 -3.892 -8.194 1.00 0.00 C ATOM 1106 CG GLU A 72 9.144 -5.316 -7.836 1.00 0.00 C ATOM 1107 CD GLU A 72 8.704 -6.057 -9.092 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.563 -5.412 -10.119 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.521 -7.260 -9.012 1.00 0.00 O ATOM 0 H GLU A 72 7.961 -2.869 -6.564 1.00 0.00 H new ATOM 0 HA GLU A 72 10.661 -3.809 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.747 -3.361 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.390 -3.918 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.970 -5.846 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.327 -5.288 -7.115 1.00 0.00 H new ATOM 1116 N SER A 73 10.253 -0.700 -7.149 1.00 0.00 N ATOM 1117 CA SER A 73 10.991 0.524 -7.511 1.00 0.00 C ATOM 1118 C SER A 73 11.426 1.291 -6.267 1.00 0.00 C ATOM 1119 O SER A 73 11.606 2.509 -6.304 1.00 0.00 O ATOM 1120 CB SER A 73 10.117 1.419 -8.392 1.00 0.00 C ATOM 1121 OG SER A 73 9.029 1.918 -7.625 1.00 0.00 O ATOM 0 H SER A 73 9.311 -0.544 -6.790 1.00 0.00 H new ATOM 0 HA SER A 73 11.884 0.231 -8.063 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.707 2.246 -8.788 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.745 0.855 -9.247 1.00 0.00 H new ATOM 0 HG SER A 73 8.900 1.353 -6.835 1.00 0.00 H new ATOM 1127 N ALA A 74 11.531 0.577 -5.153 1.00 0.00 N ATOM 1128 CA ALA A 74 11.868 1.165 -3.862 1.00 0.00 C ATOM 1129 C ALA A 74 13.143 2.013 -3.825 1.00 0.00 C ATOM 1130 O ALA A 74 13.213 2.986 -3.086 1.00 0.00 O ATOM 1131 CB ALA A 74 12.024 0.030 -2.850 1.00 0.00 C ATOM 0 H ALA A 74 11.384 -0.432 -5.119 1.00 0.00 H new ATOM 0 HA ALA A 74 11.053 1.851 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.277 0.445 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.088 -0.524 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.819 -0.641 -3.176 1.00 0.00 H new ATOM 1137 N ASP A 75 14.152 1.642 -4.598 1.00 0.00 N ATOM 1138 CA ASP A 75 15.414 2.387 -4.594 1.00 0.00 C ATOM 1139 C ASP A 75 15.255 3.795 -5.175 1.00 0.00 C ATOM 1140 O ASP A 75 16.096 4.662 -4.936 1.00 0.00 O ATOM 1141 CB ASP A 75 16.460 1.626 -5.412 1.00 0.00 C ATOM 1142 CG ASP A 75 16.875 0.355 -4.678 1.00 0.00 C ATOM 1143 OD1 ASP A 75 16.907 0.382 -3.459 1.00 0.00 O ATOM 1144 OD2 ASP A 75 17.151 -0.628 -5.347 1.00 0.00 O ATOM 0 H ASP A 75 14.129 0.842 -5.230 1.00 0.00 H new ATOM 0 HA ASP A 75 15.733 2.485 -3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.054 1.374 -6.392 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.331 2.259 -5.581 1.00 0.00 H new ATOM 1149 N ASP A 76 14.199 4.023 -5.950 1.00 0.00 N ATOM 1150 CA ASP A 76 13.977 5.334 -6.569 1.00 0.00 C ATOM 1151 C ASP A 76 13.087 6.254 -5.724 1.00 0.00 C ATOM 1152 O ASP A 76 13.390 7.439 -5.584 1.00 0.00 O ATOM 1153 CB ASP A 76 13.331 5.150 -7.942 1.00 0.00 C ATOM 1154 CG ASP A 76 13.192 6.505 -8.630 1.00 0.00 C ATOM 1155 OD1 ASP A 76 13.685 7.479 -8.084 1.00 0.00 O ATOM 1156 OD2 ASP A 76 12.593 6.549 -9.691 1.00 0.00 O ATOM 0 H ASP A 76 13.486 3.326 -6.166 1.00 0.00 H new ATOM 0 HA ASP A 76 14.954 5.810 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.937 4.481 -8.553 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.352 4.684 -7.834 1.00 0.00 H new ATOM 1161 N TRP A 77 11.970 5.746 -5.203 1.00 0.00 N ATOM 1162 CA TRP A 77 11.052 6.603 -4.433 1.00 0.00 C ATOM 1163 C TRP A 77 11.336 6.634 -2.927 1.00 0.00 C ATOM 1164 O TRP A 77 10.951 7.594 -2.260 1.00 0.00 O ATOM 1165 CB TRP A 77 9.598 6.179 -4.672 1.00 0.00 C ATOM 1166 CG TRP A 77 9.276 4.914 -3.915 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.216 3.664 -4.457 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.962 4.748 -2.486 1.00 0.00 C ATOM 1169 NE1 TRP A 77 8.873 2.764 -3.469 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.712 3.373 -2.246 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.864 5.634 -1.375 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.380 2.898 -0.980 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.533 5.146 -0.109 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.291 3.789 0.087 1.00 0.00 C ATOM 0 H TRP A 77 11.679 4.773 -5.293 1.00 0.00 H new ATOM 0 HA TRP A 77 11.221 7.615 -4.800 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.926 6.977 -4.358 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.431 6.023 -5.738 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.406 3.418 -5.491 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.753 1.764 -3.627 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.047 6.690 -1.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.193 1.846 -0.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.464 5.828 0.726 1.00 0.00 H new ATOM 0 HH2 TRP A 77 8.033 3.426 1.071 1.00 0.00 H new ATOM 1185 N PHE A 78 12.031 5.637 -2.387 1.00 0.00 N ATOM 1186 CA PHE A 78 12.336 5.656 -0.948 1.00 0.00 C ATOM 1187 C PHE A 78 13.612 6.432 -0.684 1.00 0.00 C ATOM 1188 O PHE A 78 14.652 6.173 -1.290 1.00 0.00 O ATOM 1189 CB PHE A 78 12.479 4.236 -0.382 1.00 0.00 C ATOM 1190 CG PHE A 78 12.875 4.312 1.089 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.025 4.940 2.016 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.097 3.764 1.529 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.392 5.018 3.364 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.456 3.844 2.880 1.00 0.00 C ATOM 1195 CZ PHE A 78 13.605 4.471 3.796 1.00 0.00 C ATOM 0 H PHE A 78 12.386 4.829 -2.898 1.00 0.00 H new ATOM 0 HA PHE A 78 11.501 6.146 -0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.539 3.694 -0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.232 3.683 -0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.087 5.363 1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 78 14.757 3.282 0.823 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.737 5.502 4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 78 15.391 3.421 3.215 1.00 0.00 H new ATOM 0 HZ PHE A 78 13.884 4.533 4.837 1.00 0.00 H new ATOM 1205 N VAL A 79 13.518 7.401 0.224 1.00 0.00 N ATOM 1206 CA VAL A 79 14.648 8.250 0.588 1.00 0.00 C ATOM 1207 C VAL A 79 14.907 8.110 2.088 1.00 0.00 C ATOM 1208 O VAL A 79 13.956 8.119 2.871 1.00 0.00 O ATOM 1209 CB VAL A 79 14.296 9.711 0.248 1.00 0.00 C ATOM 1210 CG1 VAL A 79 15.578 10.527 0.047 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.448 9.751 -1.037 1.00 0.00 C ATOM 0 H VAL A 79 12.658 7.619 0.727 1.00 0.00 H new ATOM 0 HA VAL A 79 15.542 7.955 0.039 1.00 0.00 H new ATOM 0 HB VAL A 79 13.727 10.142 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.319 11.558 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.170 10.505 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.157 10.099 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.199 10.785 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.013 9.313 -1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.530 9.183 -0.885 1.00 0.00 H new