USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 514 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -147:sc= -0.241 (180deg=-1.24) USER MOD Single : A 4 SER OG : rot 43:sc= 1.2 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -170:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -118:sc=-0.00272 (180deg=-0.202) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -14:sc= -0.209 USER MOD Single : A 18 MET CE :methyl -177:sc= -0.104 (180deg=-0.119) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.5) USER MOD Single : A 26 GLN : amide:sc= -2.48 K(o=-2.5,f=-7.7!) USER MOD Single : A 29 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.0166) USER MOD Single : A 33 TYR OH : rot 54:sc= -1.71 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.971 K(o=-0.97,f=-2.1) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 88:sc= 0.119 USER MOD Single : A 59 ASN : amide:sc= -1.74 K(o=-1.7,f=-5.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -124:sc= 0.472 USER MOD Single : A 67 SER OG : rot 32:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 49.056 18.447 9.463 1.00 0.00 N ATOM 2 CA GLY A 1 49.447 17.314 10.347 1.00 0.00 C ATOM 3 C GLY A 1 49.727 16.073 9.497 1.00 0.00 C ATOM 4 O GLY A 1 50.774 15.951 8.889 1.00 0.00 O ATOM 0 H1 GLY A 1 48.866 19.290 10.042 1.00 0.00 H new ATOM 0 H2 GLY A 1 49.829 18.651 8.798 1.00 0.00 H new ATOM 0 H3 GLY A 1 48.200 18.193 8.931 1.00 0.00 H new ATOM 0 HA2 GLY A 1 50.333 17.579 10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 1 48.651 17.106 11.062 1.00 0.00 H new ATOM 10 N SER A 2 48.795 15.154 9.451 1.00 0.00 N ATOM 11 CA SER A 2 48.998 13.915 8.641 1.00 0.00 C ATOM 12 C SER A 2 47.669 13.459 8.032 1.00 0.00 C ATOM 13 O SER A 2 47.433 12.279 7.852 1.00 0.00 O ATOM 14 CB SER A 2 49.519 12.875 9.632 1.00 0.00 C ATOM 15 OG SER A 2 48.737 12.925 10.818 1.00 0.00 O ATOM 0 H SER A 2 47.902 15.209 9.940 1.00 0.00 H new ATOM 0 HA SER A 2 49.690 14.071 7.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 49.470 11.879 9.192 1.00 0.00 H new ATOM 0 HB3 SER A 2 50.566 13.069 9.864 1.00 0.00 H new ATOM 0 HG SER A 2 49.067 12.258 11.456 1.00 0.00 H new ATOM 21 N MET A 3 46.803 14.387 7.716 1.00 0.00 N ATOM 22 CA MET A 3 45.484 14.018 7.118 1.00 0.00 C ATOM 23 C MET A 3 45.060 15.066 6.085 1.00 0.00 C ATOM 24 O MET A 3 43.889 15.359 5.934 1.00 0.00 O ATOM 25 CB MET A 3 44.508 13.998 8.294 1.00 0.00 C ATOM 26 CG MET A 3 44.398 12.573 8.842 1.00 0.00 C ATOM 27 SD MET A 3 43.466 11.548 7.676 1.00 0.00 S ATOM 28 CE MET A 3 41.844 12.300 7.957 1.00 0.00 C ATOM 0 H MET A 3 46.953 15.387 7.847 1.00 0.00 H new ATOM 0 HA MET A 3 45.518 13.059 6.601 1.00 0.00 H new ATOM 0 HB2 MET A 3 44.851 14.675 9.077 1.00 0.00 H new ATOM 0 HB3 MET A 3 43.528 14.352 7.973 1.00 0.00 H new ATOM 0 HG2 MET A 3 45.392 12.154 8.997 1.00 0.00 H new ATOM 0 HG3 MET A 3 43.901 12.582 9.812 1.00 0.00 H new ATOM 0 HE1 MET A 3 41.068 11.543 7.844 1.00 0.00 H new ATOM 0 HE2 MET A 3 41.804 12.713 8.965 1.00 0.00 H new ATOM 0 HE3 MET A 3 41.682 13.097 7.231 1.00 0.00 H new ATOM 38 N SER A 4 46.005 15.629 5.378 1.00 0.00 N ATOM 39 CA SER A 4 45.668 16.660 4.351 1.00 0.00 C ATOM 40 C SER A 4 46.882 16.932 3.457 1.00 0.00 C ATOM 41 O SER A 4 47.878 17.467 3.900 1.00 0.00 O ATOM 42 CB SER A 4 45.301 17.910 5.151 1.00 0.00 C ATOM 43 OG SER A 4 43.908 17.894 5.432 1.00 0.00 O ATOM 0 H SER A 4 46.999 15.419 5.468 1.00 0.00 H new ATOM 0 HA SER A 4 44.856 16.342 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 4 45.871 17.942 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 4 45.560 18.806 4.587 1.00 0.00 H new ATOM 0 HG SER A 4 43.641 16.993 5.711 1.00 0.00 H new ATOM 49 N THR A 5 46.797 16.566 2.200 1.00 0.00 N ATOM 50 CA THR A 5 47.935 16.791 1.249 1.00 0.00 C ATOM 51 C THR A 5 49.225 16.132 1.778 1.00 0.00 C ATOM 52 O THR A 5 49.525 15.003 1.442 1.00 0.00 O ATOM 53 CB THR A 5 48.077 18.319 1.128 1.00 0.00 C ATOM 54 OG1 THR A 5 46.881 18.857 0.583 1.00 0.00 O ATOM 55 CG2 THR A 5 49.254 18.662 0.209 1.00 0.00 C ATOM 0 H THR A 5 45.980 16.116 1.787 1.00 0.00 H new ATOM 0 HA THR A 5 47.750 16.340 0.274 1.00 0.00 H new ATOM 0 HB THR A 5 48.258 18.744 2.115 1.00 0.00 H new ATOM 0 HG1 THR A 5 46.966 19.830 0.506 1.00 0.00 H new ATOM 0 HG21 THR A 5 49.349 19.745 0.128 1.00 0.00 H new ATOM 0 HG22 THR A 5 50.173 18.248 0.624 1.00 0.00 H new ATOM 0 HG23 THR A 5 49.079 18.238 -0.780 1.00 0.00 H new ATOM 63 N SER A 6 49.990 16.819 2.601 1.00 0.00 N ATOM 64 CA SER A 6 51.257 16.226 3.147 1.00 0.00 C ATOM 65 C SER A 6 52.147 15.704 2.012 1.00 0.00 C ATOM 66 O SER A 6 51.925 15.998 0.852 1.00 0.00 O ATOM 67 CB SER A 6 50.811 15.077 4.054 1.00 0.00 C ATOM 68 OG SER A 6 50.859 15.503 5.409 1.00 0.00 O ATOM 0 H SER A 6 49.789 17.768 2.918 1.00 0.00 H new ATOM 0 HA SER A 6 51.846 16.965 3.689 1.00 0.00 H new ATOM 0 HB2 SER A 6 49.799 14.765 3.794 1.00 0.00 H new ATOM 0 HB3 SER A 6 51.458 14.212 3.909 1.00 0.00 H new ATOM 0 HG SER A 6 50.729 14.732 5.999 1.00 0.00 H new ATOM 74 N GLU A 7 53.150 14.931 2.343 1.00 0.00 N ATOM 75 CA GLU A 7 54.060 14.384 1.294 1.00 0.00 C ATOM 76 C GLU A 7 53.483 13.088 0.714 1.00 0.00 C ATOM 77 O GLU A 7 53.962 12.004 0.995 1.00 0.00 O ATOM 78 CB GLU A 7 55.381 14.111 2.016 1.00 0.00 C ATOM 79 CG GLU A 7 56.172 15.414 2.144 1.00 0.00 C ATOM 80 CD GLU A 7 56.872 15.719 0.819 1.00 0.00 C ATOM 81 OE1 GLU A 7 57.971 15.225 0.625 1.00 0.00 O ATOM 82 OE2 GLU A 7 56.298 16.440 0.020 1.00 0.00 O ATOM 0 H GLU A 7 53.378 14.655 3.298 1.00 0.00 H new ATOM 0 HA GLU A 7 54.189 15.073 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 7 55.188 13.692 3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 7 55.963 13.373 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 7 55.504 16.233 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 7 56.907 15.328 2.944 1.00 0.00 H new ATOM 89 N LEU A 8 52.457 13.196 -0.092 1.00 0.00 N ATOM 90 CA LEU A 8 51.842 11.976 -0.697 1.00 0.00 C ATOM 91 C LEU A 8 52.682 11.496 -1.882 1.00 0.00 C ATOM 92 O LEU A 8 52.698 12.114 -2.930 1.00 0.00 O ATOM 93 CB LEU A 8 50.455 12.420 -1.166 1.00 0.00 C ATOM 94 CG LEU A 8 49.698 11.217 -1.733 1.00 0.00 C ATOM 95 CD1 LEU A 8 48.842 10.588 -0.634 1.00 0.00 C ATOM 96 CD2 LEU A 8 48.795 11.679 -2.880 1.00 0.00 C ATOM 0 H LEU A 8 52.018 14.078 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 8 51.785 11.148 0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 8 49.900 12.853 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 8 50.548 13.196 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 8 50.411 10.481 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 8 48.303 9.731 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 8 49.483 10.260 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 8 48.128 11.324 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 8 48.255 10.823 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 8 48.082 12.415 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 8 49.404 12.128 -3.664 1.00 0.00 H new ATOM 108 N LYS A 9 53.381 10.401 -1.721 1.00 0.00 N ATOM 109 CA LYS A 9 54.227 9.877 -2.834 1.00 0.00 C ATOM 110 C LYS A 9 54.041 8.364 -2.979 1.00 0.00 C ATOM 111 O LYS A 9 53.076 7.798 -2.500 1.00 0.00 O ATOM 112 CB LYS A 9 55.664 10.204 -2.427 1.00 0.00 C ATOM 113 CG LYS A 9 56.466 10.613 -3.665 1.00 0.00 C ATOM 114 CD LYS A 9 57.488 11.686 -3.281 1.00 0.00 C ATOM 115 CE LYS A 9 57.948 12.426 -4.539 1.00 0.00 C ATOM 116 NZ LYS A 9 59.048 11.590 -5.094 1.00 0.00 N ATOM 0 H LYS A 9 53.402 9.847 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 9 53.963 10.320 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 9 55.671 11.010 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 9 56.125 9.338 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 9 56.975 9.745 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 9 55.796 10.993 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 9 57.046 12.388 -2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 9 58.342 11.228 -2.783 1.00 0.00 H new ATOM 0 HE2 LYS A 9 57.133 12.533 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 9 58.297 13.431 -4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 59.417 12.032 -5.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 59.812 11.512 -4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 58.684 10.642 -5.317 1.00 0.00 H new ATOM 130 N LYS A 10 54.962 7.709 -3.639 1.00 0.00 N ATOM 131 CA LYS A 10 54.855 6.227 -3.829 1.00 0.00 C ATOM 132 C LYS A 10 56.165 5.543 -3.418 1.00 0.00 C ATOM 133 O LYS A 10 57.044 6.165 -2.857 1.00 0.00 O ATOM 134 CB LYS A 10 54.553 5.999 -5.324 1.00 0.00 C ATOM 135 CG LYS A 10 55.421 6.904 -6.208 1.00 0.00 C ATOM 136 CD LYS A 10 54.682 8.215 -6.484 1.00 0.00 C ATOM 137 CE LYS A 10 53.877 8.085 -7.779 1.00 0.00 C ATOM 138 NZ LYS A 10 54.873 8.275 -8.871 1.00 0.00 N ATOM 0 H LYS A 10 55.788 8.137 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 10 54.067 5.800 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.734 4.955 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.499 6.197 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.371 7.108 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 10 55.651 6.400 -7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 10 54.018 8.452 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 10 55.394 9.036 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 10 53.396 7.109 -7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 10 53.087 8.834 -7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 54.620 9.115 -9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 55.819 8.405 -8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 54.876 7.438 -9.488 1.00 0.00 H new ATOM 152 N VAL A 11 56.296 4.266 -3.695 1.00 0.00 N ATOM 153 CA VAL A 11 57.543 3.518 -3.319 1.00 0.00 C ATOM 154 C VAL A 11 57.628 2.227 -4.127 1.00 0.00 C ATOM 155 O VAL A 11 56.647 1.770 -4.678 1.00 0.00 O ATOM 156 CB VAL A 11 57.440 3.168 -1.821 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.810 4.386 -0.973 1.00 0.00 C ATOM 158 CG2 VAL A 11 56.024 2.699 -1.467 1.00 0.00 C ATOM 0 H VAL A 11 55.588 3.705 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 11 58.427 4.123 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 11 58.136 2.356 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.735 4.130 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.831 4.691 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.128 5.206 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.975 2.458 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.311 3.492 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.777 1.813 -2.052 1.00 0.00 H new ATOM 168 N VAL A 12 58.788 1.632 -4.187 1.00 0.00 N ATOM 169 CA VAL A 12 58.946 0.360 -4.952 1.00 0.00 C ATOM 170 C VAL A 12 58.912 -0.824 -3.960 1.00 0.00 C ATOM 171 O VAL A 12 58.857 -0.632 -2.764 1.00 0.00 O ATOM 172 CB VAL A 12 60.320 0.532 -5.660 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.207 -0.721 -5.577 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.089 0.864 -7.130 1.00 0.00 C ATOM 0 H VAL A 12 59.638 1.973 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 12 58.160 0.156 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 12 60.841 1.337 -5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.150 -0.534 -6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.404 -0.959 -4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.697 -1.560 -6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.049 0.986 -7.631 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.533 0.054 -7.603 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.519 1.790 -7.209 1.00 0.00 H new ATOM 184 N ALA A 13 58.965 -2.037 -4.453 1.00 0.00 N ATOM 185 CA ALA A 13 58.958 -3.224 -3.543 1.00 0.00 C ATOM 186 C ALA A 13 60.258 -4.016 -3.716 1.00 0.00 C ATOM 187 O ALA A 13 60.820 -4.067 -4.794 1.00 0.00 O ATOM 188 CB ALA A 13 57.755 -4.062 -3.977 1.00 0.00 C ATOM 0 H ALA A 13 59.013 -2.256 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 13 58.889 -2.940 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.687 -4.952 -3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.844 -3.473 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.875 -4.359 -5.019 1.00 0.00 H new ATOM 194 N LEU A 14 60.742 -4.627 -2.664 1.00 0.00 N ATOM 195 CA LEU A 14 62.014 -5.407 -2.765 1.00 0.00 C ATOM 196 C LEU A 14 61.734 -6.911 -2.780 1.00 0.00 C ATOM 197 O LEU A 14 62.275 -7.642 -3.589 1.00 0.00 O ATOM 198 CB LEU A 14 62.816 -5.025 -1.521 1.00 0.00 C ATOM 199 CG LEU A 14 63.173 -3.539 -1.579 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.832 -3.120 -0.264 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.144 -3.295 -2.737 1.00 0.00 C ATOM 0 H LEU A 14 60.312 -4.620 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 14 62.552 -5.183 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.236 -5.235 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.724 -5.626 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 14 62.267 -2.953 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.086 -2.061 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.142 -3.295 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.739 -3.705 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.400 -2.236 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.050 -3.881 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.675 -3.593 -3.674 1.00 0.00 H new ATOM 213 N TYR A 15 60.902 -7.377 -1.887 1.00 0.00 N ATOM 214 CA TYR A 15 60.592 -8.840 -1.838 1.00 0.00 C ATOM 215 C TYR A 15 59.079 -9.069 -1.770 1.00 0.00 C ATOM 216 O TYR A 15 58.303 -8.138 -1.678 1.00 0.00 O ATOM 217 CB TYR A 15 61.267 -9.345 -0.563 1.00 0.00 C ATOM 218 CG TYR A 15 62.761 -9.158 -0.675 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.350 -7.962 -0.247 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.558 -10.179 -1.206 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.736 -7.788 -0.350 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.943 -10.005 -1.310 1.00 0.00 C ATOM 223 CZ TYR A 15 65.532 -8.809 -0.882 1.00 0.00 C ATOM 224 OH TYR A 15 66.897 -8.637 -0.983 1.00 0.00 O ATOM 0 H TYR A 15 60.422 -6.809 -1.188 1.00 0.00 H new ATOM 0 HA TYR A 15 60.948 -9.363 -2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.886 -8.802 0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 15 61.032 -10.398 -0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.736 -7.174 0.162 1.00 0.00 H new ATOM 0 HD2 TYR A 15 63.104 -11.102 -1.536 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.191 -6.866 -0.019 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.557 -10.793 -1.720 1.00 0.00 H new ATOM 0 HH TYR A 15 67.300 -9.441 -1.372 1.00 0.00 H new ATOM 234 N ASP A 16 58.663 -10.310 -1.819 1.00 0.00 N ATOM 235 CA ASP A 16 57.201 -10.621 -1.759 1.00 0.00 C ATOM 236 C ASP A 16 56.687 -10.508 -0.322 1.00 0.00 C ATOM 237 O ASP A 16 57.430 -10.669 0.629 1.00 0.00 O ATOM 238 CB ASP A 16 57.079 -12.062 -2.260 1.00 0.00 C ATOM 239 CG ASP A 16 57.199 -12.085 -3.785 1.00 0.00 C ATOM 240 OD1 ASP A 16 56.554 -11.268 -4.422 1.00 0.00 O ATOM 241 OD2 ASP A 16 57.934 -12.917 -4.289 1.00 0.00 O ATOM 0 H ASP A 16 59.274 -11.123 -1.898 1.00 0.00 H new ATOM 0 HA ASP A 16 56.611 -9.928 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.858 -12.680 -1.814 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.122 -12.485 -1.954 1.00 0.00 H new ATOM 246 N TYR A 17 55.418 -10.228 -0.161 1.00 0.00 N ATOM 247 CA TYR A 17 54.838 -10.096 1.207 1.00 0.00 C ATOM 248 C TYR A 17 53.304 -10.126 1.109 1.00 0.00 C ATOM 249 O TYR A 17 52.645 -9.107 1.201 1.00 0.00 O ATOM 250 CB TYR A 17 55.372 -8.740 1.711 1.00 0.00 C ATOM 251 CG TYR A 17 54.600 -8.245 2.920 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.277 -9.121 3.966 1.00 0.00 C ATOM 253 CD2 TYR A 17 54.210 -6.904 2.987 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.563 -8.650 5.076 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.497 -6.433 4.095 1.00 0.00 C ATOM 256 CZ TYR A 17 53.173 -7.306 5.139 1.00 0.00 C ATOM 257 OH TYR A 17 52.471 -6.843 6.232 1.00 0.00 O ATOM 0 H TYR A 17 54.757 -10.085 -0.924 1.00 0.00 H new ATOM 0 HA TYR A 17 55.112 -10.901 1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.427 -8.838 1.968 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.306 -8.003 0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.578 -10.157 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 17 54.460 -6.230 2.181 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.313 -9.323 5.883 1.00 0.00 H new ATOM 0 HE2 TYR A 17 53.197 -5.397 4.144 1.00 0.00 H new ATOM 0 HH TYR A 17 52.137 -7.603 6.752 1.00 0.00 H new ATOM 267 N MET A 18 52.740 -11.293 0.917 1.00 0.00 N ATOM 268 CA MET A 18 51.255 -11.409 0.804 1.00 0.00 C ATOM 269 C MET A 18 50.612 -11.460 2.203 1.00 0.00 C ATOM 270 O MET A 18 51.264 -11.839 3.156 1.00 0.00 O ATOM 271 CB MET A 18 51.014 -12.719 0.055 1.00 0.00 C ATOM 272 CG MET A 18 51.126 -12.476 -1.451 1.00 0.00 C ATOM 273 SD MET A 18 52.845 -12.700 -1.974 1.00 0.00 S ATOM 274 CE MET A 18 52.689 -11.928 -3.603 1.00 0.00 C ATOM 0 H MET A 18 53.248 -12.174 0.833 1.00 0.00 H new ATOM 0 HA MET A 18 50.815 -10.556 0.286 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.742 -13.468 0.368 1.00 0.00 H new ATOM 0 HB3 MET A 18 50.027 -13.112 0.298 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.478 -13.167 -1.991 1.00 0.00 H new ATOM 0 HG3 MET A 18 50.790 -11.468 -1.693 1.00 0.00 H new ATOM 0 HE1 MET A 18 53.638 -12.004 -4.134 1.00 0.00 H new ATOM 0 HE2 MET A 18 51.912 -12.437 -4.174 1.00 0.00 H new ATOM 0 HE3 MET A 18 52.423 -10.878 -3.484 1.00 0.00 H new ATOM 284 N PRO A 19 49.350 -11.070 2.300 1.00 0.00 N ATOM 285 CA PRO A 19 48.658 -11.078 3.612 1.00 0.00 C ATOM 286 C PRO A 19 48.468 -12.501 4.136 1.00 0.00 C ATOM 287 O PRO A 19 48.092 -13.402 3.410 1.00 0.00 O ATOM 288 CB PRO A 19 47.306 -10.429 3.288 1.00 0.00 C ATOM 289 CG PRO A 19 47.274 -10.074 1.790 1.00 0.00 C ATOM 290 CD PRO A 19 48.552 -10.599 1.133 1.00 0.00 C ATOM 0 HA PRO A 19 49.216 -10.558 4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.492 -11.111 3.532 1.00 0.00 H new ATOM 0 HB3 PRO A 19 47.163 -9.533 3.892 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.397 -10.515 1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.198 -8.995 1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.344 -11.407 0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.071 -9.819 0.576 1.00 0.00 H new ATOM 298 N MET A 20 48.712 -12.693 5.404 1.00 0.00 N ATOM 299 CA MET A 20 48.537 -14.039 6.020 1.00 0.00 C ATOM 300 C MET A 20 47.285 -14.021 6.893 1.00 0.00 C ATOM 301 O MET A 20 46.582 -15.006 7.017 1.00 0.00 O ATOM 302 CB MET A 20 49.782 -14.257 6.885 1.00 0.00 C ATOM 303 CG MET A 20 51.046 -14.158 6.024 1.00 0.00 C ATOM 304 SD MET A 20 51.628 -15.816 5.586 1.00 0.00 S ATOM 305 CE MET A 20 51.640 -15.586 3.790 1.00 0.00 C ATOM 0 H MET A 20 49.029 -11.966 6.046 1.00 0.00 H new ATOM 0 HA MET A 20 48.424 -14.830 5.279 1.00 0.00 H new ATOM 0 HB2 MET A 20 49.816 -13.513 7.681 1.00 0.00 H new ATOM 0 HB3 MET A 20 49.735 -15.235 7.364 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.836 -13.587 5.120 1.00 0.00 H new ATOM 0 HG3 MET A 20 51.825 -13.622 6.567 1.00 0.00 H new ATOM 0 HE1 MET A 20 51.974 -16.505 3.308 1.00 0.00 H new ATOM 0 HE2 MET A 20 50.634 -15.342 3.448 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.319 -14.773 3.532 1.00 0.00 H new ATOM 315 N ASN A 21 47.010 -12.895 7.497 1.00 0.00 N ATOM 316 CA ASN A 21 45.805 -12.777 8.372 1.00 0.00 C ATOM 317 C ASN A 21 44.842 -11.719 7.812 1.00 0.00 C ATOM 318 O ASN A 21 43.870 -12.043 7.158 1.00 0.00 O ATOM 319 CB ASN A 21 46.351 -12.359 9.742 1.00 0.00 C ATOM 320 CG ASN A 21 46.387 -13.570 10.677 1.00 0.00 C ATOM 321 OD1 ASN A 21 45.420 -13.860 11.352 1.00 0.00 O ATOM 322 ND2 ASN A 21 47.471 -14.294 10.744 1.00 0.00 N ATOM 0 H ASN A 21 47.571 -12.047 7.422 1.00 0.00 H new ATOM 0 HA ASN A 21 45.240 -13.707 8.432 1.00 0.00 H new ATOM 0 HB2 ASN A 21 47.352 -11.942 9.633 1.00 0.00 H new ATOM 0 HB3 ASN A 21 45.725 -11.576 10.170 1.00 0.00 H new ATOM 0 HD21 ASN A 21 47.506 -15.104 11.363 1.00 0.00 H new ATOM 0 HD22 ASN A 21 48.283 -14.050 10.177 1.00 0.00 H new ATOM 329 N ALA A 22 45.105 -10.458 8.064 1.00 0.00 N ATOM 330 CA ALA A 22 44.210 -9.375 7.549 1.00 0.00 C ATOM 331 C ALA A 22 44.832 -8.002 7.831 1.00 0.00 C ATOM 332 O ALA A 22 44.402 -7.284 8.715 1.00 0.00 O ATOM 333 CB ALA A 22 42.896 -9.531 8.319 1.00 0.00 C ATOM 0 H ALA A 22 45.905 -10.132 8.607 1.00 0.00 H new ATOM 0 HA ALA A 22 44.058 -9.448 6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 22 42.190 -8.768 7.992 1.00 0.00 H new ATOM 0 HB2 ALA A 22 42.477 -10.519 8.127 1.00 0.00 H new ATOM 0 HB3 ALA A 22 43.084 -9.418 9.387 1.00 0.00 H new ATOM 339 N ASN A 23 45.842 -7.638 7.085 1.00 0.00 N ATOM 340 CA ASN A 23 46.506 -6.317 7.299 1.00 0.00 C ATOM 341 C ASN A 23 47.394 -5.958 6.126 1.00 0.00 C ATOM 342 O ASN A 23 47.362 -4.855 5.615 1.00 0.00 O ATOM 343 CB ASN A 23 47.392 -6.500 8.521 1.00 0.00 C ATOM 344 CG ASN A 23 46.631 -6.100 9.787 1.00 0.00 C ATOM 345 OD1 ASN A 23 46.603 -6.840 10.749 1.00 0.00 O ATOM 346 ND2 ASN A 23 46.010 -4.954 9.827 1.00 0.00 N ATOM 0 H ASN A 23 46.238 -8.202 6.333 1.00 0.00 H new ATOM 0 HA ASN A 23 45.762 -5.529 7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 23 47.714 -7.539 8.594 1.00 0.00 H new ATOM 0 HB3 ASN A 23 48.292 -5.893 8.421 1.00 0.00 H new ATOM 0 HD21 ASN A 23 45.501 -4.679 10.667 1.00 0.00 H new ATOM 0 HD22 ASN A 23 46.034 -4.333 9.019 1.00 0.00 H new ATOM 353 N ASP A 24 48.231 -6.880 5.739 1.00 0.00 N ATOM 354 CA ASP A 24 49.198 -6.621 4.635 1.00 0.00 C ATOM 355 C ASP A 24 48.514 -5.975 3.420 1.00 0.00 C ATOM 356 O ASP A 24 47.301 -5.901 3.345 1.00 0.00 O ATOM 357 CB ASP A 24 49.764 -7.993 4.261 1.00 0.00 C ATOM 358 CG ASP A 24 50.443 -8.649 5.476 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.351 -8.103 6.565 1.00 0.00 O ATOM 360 OD2 ASP A 24 51.044 -9.695 5.293 1.00 0.00 O ATOM 0 H ASP A 24 48.287 -7.814 6.146 1.00 0.00 H new ATOM 0 HA ASP A 24 49.975 -5.924 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.963 -8.635 3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.484 -7.886 3.449 1.00 0.00 H new ATOM 365 N LEU A 25 49.289 -5.495 2.483 1.00 0.00 N ATOM 366 CA LEU A 25 48.699 -4.835 1.281 1.00 0.00 C ATOM 367 C LEU A 25 49.118 -5.581 0.007 1.00 0.00 C ATOM 368 O LEU A 25 49.223 -5.014 -1.061 1.00 0.00 O ATOM 369 CB LEU A 25 49.272 -3.403 1.338 1.00 0.00 C ATOM 370 CG LEU A 25 48.564 -2.394 0.396 1.00 0.00 C ATOM 371 CD1 LEU A 25 49.327 -2.300 -0.923 1.00 0.00 C ATOM 372 CD2 LEU A 25 47.100 -2.773 0.116 1.00 0.00 C ATOM 0 H LEU A 25 50.308 -5.532 2.499 1.00 0.00 H new ATOM 0 HA LEU A 25 47.609 -4.835 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.202 -3.037 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.331 -3.438 1.084 1.00 0.00 H new ATOM 0 HG LEU A 25 48.559 -1.429 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 25 48.827 -1.591 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 25 50.345 -1.962 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 25 49.354 -3.280 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 25 46.653 -2.033 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 25 47.062 -3.755 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 25 46.545 -2.800 1.054 1.00 0.00 H new ATOM 384 N GLN A 26 49.336 -6.866 0.121 1.00 0.00 N ATOM 385 CA GLN A 26 49.729 -7.700 -1.063 1.00 0.00 C ATOM 386 C GLN A 26 50.887 -7.065 -1.844 1.00 0.00 C ATOM 387 O GLN A 26 50.714 -6.593 -2.954 1.00 0.00 O ATOM 388 CB GLN A 26 48.470 -7.769 -1.930 1.00 0.00 C ATOM 389 CG GLN A 26 48.623 -8.888 -2.964 1.00 0.00 C ATOM 390 CD GLN A 26 47.993 -10.173 -2.424 1.00 0.00 C ATOM 391 OE1 GLN A 26 48.631 -10.925 -1.714 1.00 0.00 O ATOM 392 NE2 GLN A 26 46.757 -10.459 -2.731 1.00 0.00 N ATOM 0 H GLN A 26 49.258 -7.384 0.996 1.00 0.00 H new ATOM 0 HA GLN A 26 50.081 -8.685 -0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.595 -7.953 -1.306 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.308 -6.815 -2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 26 48.143 -8.601 -3.900 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.678 -9.052 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.221 -9.828 -3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.328 -11.313 -2.375 1.00 0.00 H new ATOM 401 N LEU A 27 52.065 -7.062 -1.276 1.00 0.00 N ATOM 402 CA LEU A 27 53.237 -6.475 -1.982 1.00 0.00 C ATOM 403 C LEU A 27 53.864 -7.516 -2.917 1.00 0.00 C ATOM 404 O LEU A 27 53.281 -8.549 -3.188 1.00 0.00 O ATOM 405 CB LEU A 27 54.205 -6.077 -0.865 1.00 0.00 C ATOM 406 CG LEU A 27 53.855 -4.670 -0.377 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.961 -4.761 0.866 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.142 -3.912 -0.034 1.00 0.00 C ATOM 0 H LEU A 27 52.264 -7.443 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 27 52.970 -5.622 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.141 -6.788 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.232 -6.104 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 27 53.321 -4.137 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.714 -3.757 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.044 -5.295 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.489 -5.296 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.892 -2.910 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.680 -4.445 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.771 -3.842 -0.922 1.00 0.00 H new ATOM 420 N ARG A 28 55.041 -7.245 -3.418 1.00 0.00 N ATOM 421 CA ARG A 28 55.714 -8.202 -4.347 1.00 0.00 C ATOM 422 C ARG A 28 57.161 -7.759 -4.584 1.00 0.00 C ATOM 423 O ARG A 28 57.694 -6.949 -3.850 1.00 0.00 O ATOM 424 CB ARG A 28 54.909 -8.126 -5.650 1.00 0.00 C ATOM 425 CG ARG A 28 54.015 -9.362 -5.777 1.00 0.00 C ATOM 426 CD ARG A 28 53.867 -9.734 -7.255 1.00 0.00 C ATOM 427 NE ARG A 28 53.368 -11.137 -7.250 1.00 0.00 N ATOM 428 CZ ARG A 28 52.703 -11.597 -8.274 1.00 0.00 C ATOM 429 NH1 ARG A 28 53.323 -11.842 -9.397 1.00 0.00 N ATOM 430 NH2 ARG A 28 51.420 -11.813 -8.177 1.00 0.00 N ATOM 0 H ARG A 28 55.569 -6.395 -3.222 1.00 0.00 H new ATOM 0 HA ARG A 28 55.746 -9.217 -3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.300 -7.222 -5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.585 -8.065 -6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.447 -10.195 -5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 28 53.036 -9.162 -5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 28 53.168 -9.068 -7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 28 54.819 -9.655 -7.779 1.00 0.00 H new ATOM 0 HE ARG A 28 53.546 -11.739 -6.446 1.00 0.00 H new ATOM 0 HH11 ARG A 28 54.326 -11.674 -9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 28 52.804 -12.202 -10.198 1.00 0.00 H new ATOM 0 HH21 ARG A 28 50.936 -11.622 -7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 28 50.901 -12.173 -8.978 1.00 0.00 H new ATOM 444 N LYS A 29 57.798 -8.283 -5.601 1.00 0.00 N ATOM 445 CA LYS A 29 59.205 -7.893 -5.886 1.00 0.00 C ATOM 446 C LYS A 29 59.282 -7.120 -7.205 1.00 0.00 C ATOM 447 O LYS A 29 58.930 -7.624 -8.253 1.00 0.00 O ATOM 448 CB LYS A 29 59.977 -9.211 -5.971 1.00 0.00 C ATOM 449 CG LYS A 29 61.457 -8.928 -6.239 1.00 0.00 C ATOM 450 CD LYS A 29 62.303 -10.090 -5.714 1.00 0.00 C ATOM 451 CE LYS A 29 63.741 -9.615 -5.495 1.00 0.00 C ATOM 452 NZ LYS A 29 64.345 -9.582 -6.856 1.00 0.00 N ATOM 0 H LYS A 29 57.400 -8.966 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 29 59.618 -7.239 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.866 -9.769 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.566 -9.833 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.625 -8.796 -7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.754 -7.999 -5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.886 -10.464 -4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.286 -10.917 -6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 29 63.765 -8.630 -5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 29 64.285 -10.293 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 65.151 -10.238 -6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.633 -9.867 -7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 64.673 -8.618 -7.067 1.00 0.00 H new ATOM 466 N GLY A 30 59.735 -5.893 -7.147 1.00 0.00 N ATOM 467 CA GLY A 30 59.832 -5.064 -8.383 1.00 0.00 C ATOM 468 C GLY A 30 58.572 -4.206 -8.529 1.00 0.00 C ATOM 469 O GLY A 30 58.580 -3.197 -9.208 1.00 0.00 O ATOM 0 H GLY A 30 60.043 -5.429 -6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.715 -4.426 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.949 -5.707 -9.255 1.00 0.00 H new ATOM 473 N ASP A 31 57.489 -4.594 -7.894 1.00 0.00 N ATOM 474 CA ASP A 31 56.235 -3.795 -7.995 1.00 0.00 C ATOM 475 C ASP A 31 56.339 -2.561 -7.100 1.00 0.00 C ATOM 476 O ASP A 31 57.098 -2.545 -6.153 1.00 0.00 O ATOM 477 CB ASP A 31 55.122 -4.723 -7.507 1.00 0.00 C ATOM 478 CG ASP A 31 54.805 -5.756 -8.591 1.00 0.00 C ATOM 479 OD1 ASP A 31 55.677 -6.555 -8.893 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.697 -5.731 -9.100 1.00 0.00 O ATOM 0 H ASP A 31 57.425 -5.429 -7.312 1.00 0.00 H new ATOM 0 HA ASP A 31 56.046 -3.445 -9.010 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.429 -5.226 -6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.230 -4.144 -7.270 1.00 0.00 H new ATOM 485 N GLU A 32 55.589 -1.531 -7.387 1.00 0.00 N ATOM 486 CA GLU A 32 55.654 -0.295 -6.541 1.00 0.00 C ATOM 487 C GLU A 32 54.253 0.011 -6.003 1.00 0.00 C ATOM 488 O GLU A 32 53.286 -0.601 -6.422 1.00 0.00 O ATOM 489 CB GLU A 32 56.163 0.834 -7.457 1.00 0.00 C ATOM 490 CG GLU A 32 57.306 0.340 -8.357 1.00 0.00 C ATOM 491 CD GLU A 32 56.740 -0.084 -9.714 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.146 0.752 -10.375 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.911 -1.239 -10.070 1.00 0.00 O ATOM 0 H GLU A 32 54.934 -1.488 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 32 56.319 -0.410 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.344 1.204 -8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.509 1.671 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.046 1.130 -8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.817 -0.499 -7.886 1.00 0.00 H new ATOM 500 N TYR A 33 54.129 0.911 -5.055 1.00 0.00 N ATOM 501 CA TYR A 33 52.782 1.193 -4.475 1.00 0.00 C ATOM 502 C TYR A 33 52.537 2.690 -4.307 1.00 0.00 C ATOM 503 O TYR A 33 53.306 3.521 -4.747 1.00 0.00 O ATOM 504 CB TYR A 33 52.796 0.539 -3.091 1.00 0.00 C ATOM 505 CG TYR A 33 53.374 -0.857 -3.160 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.690 -1.863 -3.849 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.602 -1.130 -2.552 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.239 -3.146 -3.931 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.149 -2.412 -2.629 1.00 0.00 C ATOM 510 CZ TYR A 33 54.468 -3.420 -3.320 1.00 0.00 C ATOM 511 OH TYR A 33 55.013 -4.680 -3.408 1.00 0.00 O ATOM 0 H TYR A 33 54.896 1.456 -4.663 1.00 0.00 H new ATOM 0 HA TYR A 33 51.998 0.812 -5.129 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.384 1.147 -2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.782 0.498 -2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.740 -1.650 -4.317 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.128 -0.349 -2.023 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.715 -3.925 -4.465 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.096 -2.625 -2.156 1.00 0.00 H new ATOM 0 HH TYR A 33 55.071 -4.946 -4.349 1.00 0.00 H new ATOM 521 N PHE A 34 51.466 3.019 -3.637 1.00 0.00 N ATOM 522 CA PHE A 34 51.124 4.448 -3.381 1.00 0.00 C ATOM 523 C PHE A 34 51.109 4.697 -1.874 1.00 0.00 C ATOM 524 O PHE A 34 50.452 3.995 -1.132 1.00 0.00 O ATOM 525 CB PHE A 34 49.727 4.638 -3.963 1.00 0.00 C ATOM 526 CG PHE A 34 49.834 5.075 -5.404 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.448 6.292 -5.723 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.319 4.263 -6.422 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.548 6.697 -7.059 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.418 4.669 -7.759 1.00 0.00 C ATOM 531 CZ PHE A 34 50.033 5.886 -8.077 1.00 0.00 C ATOM 0 H PHE A 34 50.803 2.347 -3.250 1.00 0.00 H new ATOM 0 HA PHE A 34 51.841 5.138 -3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.164 3.707 -3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.180 5.384 -3.386 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.845 6.919 -4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 34 48.846 3.324 -6.176 1.00 0.00 H new ATOM 0 HE1 PHE A 34 51.023 7.636 -7.305 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.020 4.043 -8.544 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.110 6.199 -9.108 1.00 0.00 H new ATOM 541 N ILE A 35 51.844 5.675 -1.415 1.00 0.00 N ATOM 542 CA ILE A 35 51.896 5.945 0.054 1.00 0.00 C ATOM 543 C ILE A 35 50.875 7.002 0.478 1.00 0.00 C ATOM 544 O ILE A 35 50.823 8.093 -0.057 1.00 0.00 O ATOM 545 CB ILE A 35 53.325 6.431 0.323 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.341 5.370 -0.135 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.513 6.697 1.819 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.071 4.037 0.572 1.00 0.00 C ATOM 0 H ILE A 35 52.410 6.298 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 35 51.648 5.051 0.627 1.00 0.00 H new ATOM 0 HB ILE A 35 53.490 7.353 -0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.276 5.237 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.354 5.708 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.531 7.042 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.807 7.461 2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.336 5.778 2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.797 3.295 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.159 4.172 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.065 3.694 0.330 1.00 0.00 H new ATOM 560 N LEU A 36 50.082 6.675 1.463 1.00 0.00 N ATOM 561 CA LEU A 36 49.067 7.635 1.980 1.00 0.00 C ATOM 562 C LEU A 36 49.464 8.084 3.391 1.00 0.00 C ATOM 563 O LEU A 36 49.161 9.185 3.812 1.00 0.00 O ATOM 564 CB LEU A 36 47.757 6.850 2.021 1.00 0.00 C ATOM 565 CG LEU A 36 47.224 6.662 0.600 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.679 5.304 0.059 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.695 6.713 0.621 1.00 0.00 C ATOM 0 H LEU A 36 50.096 5.772 1.937 1.00 0.00 H new ATOM 0 HA LEU A 36 48.982 8.528 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 36 47.918 5.880 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.023 7.380 2.628 1.00 0.00 H new ATOM 0 HG LEU A 36 47.608 7.456 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.299 5.170 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.768 5.264 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.294 4.510 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.313 6.579 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.313 5.918 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.368 7.678 1.008 1.00 0.00 H new ATOM 579 N GLU A 37 50.142 7.230 4.120 1.00 0.00 N ATOM 580 CA GLU A 37 50.569 7.585 5.505 1.00 0.00 C ATOM 581 C GLU A 37 52.088 7.778 5.559 1.00 0.00 C ATOM 582 O GLU A 37 52.758 7.791 4.546 1.00 0.00 O ATOM 583 CB GLU A 37 50.147 6.395 6.367 1.00 0.00 C ATOM 584 CG GLU A 37 48.793 6.685 7.015 1.00 0.00 C ATOM 585 CD GLU A 37 47.714 6.767 5.932 1.00 0.00 C ATOM 586 OE1 GLU A 37 47.562 7.830 5.354 1.00 0.00 O ATOM 587 OE2 GLU A 37 47.059 5.764 5.699 1.00 0.00 O ATOM 0 H GLU A 37 50.418 6.298 3.811 1.00 0.00 H new ATOM 0 HA GLU A 37 50.120 8.517 5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 37 50.083 5.495 5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 37 50.896 6.206 7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 37 48.545 5.901 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 37 48.837 7.622 7.571 1.00 0.00 H new ATOM 594 N GLU A 38 52.629 7.925 6.744 1.00 0.00 N ATOM 595 CA GLU A 38 54.100 8.121 6.916 1.00 0.00 C ATOM 596 C GLU A 38 54.373 8.271 8.406 1.00 0.00 C ATOM 597 O GLU A 38 55.149 9.105 8.834 1.00 0.00 O ATOM 598 CB GLU A 38 54.460 9.418 6.171 1.00 0.00 C ATOM 599 CG GLU A 38 53.606 10.580 6.693 1.00 0.00 C ATOM 600 CD GLU A 38 53.822 11.810 5.810 1.00 0.00 C ATOM 601 OE1 GLU A 38 54.832 12.470 5.984 1.00 0.00 O ATOM 602 OE2 GLU A 38 52.972 12.070 4.974 1.00 0.00 O ATOM 0 H GLU A 38 52.100 7.917 7.616 1.00 0.00 H new ATOM 0 HA GLU A 38 54.687 7.289 6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.518 9.644 6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 38 54.297 9.289 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 38 52.553 10.300 6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 38 53.875 10.808 7.724 1.00 0.00 H new ATOM 609 N SER A 39 53.707 7.475 9.195 1.00 0.00 N ATOM 610 CA SER A 39 53.870 7.547 10.675 1.00 0.00 C ATOM 611 C SER A 39 55.335 7.389 11.067 1.00 0.00 C ATOM 612 O SER A 39 56.214 7.354 10.226 1.00 0.00 O ATOM 613 CB SER A 39 53.053 6.374 11.214 1.00 0.00 C ATOM 614 OG SER A 39 51.669 6.685 11.123 1.00 0.00 O ATOM 0 H SER A 39 53.047 6.767 8.873 1.00 0.00 H new ATOM 0 HA SER A 39 53.540 8.506 11.074 1.00 0.00 H new ATOM 0 HB2 SER A 39 53.273 5.471 10.645 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.325 6.172 12.250 1.00 0.00 H new ATOM 0 HG SER A 39 51.142 5.934 11.466 1.00 0.00 H new ATOM 620 N ASN A 40 55.597 7.281 12.339 1.00 0.00 N ATOM 621 CA ASN A 40 56.999 7.113 12.801 1.00 0.00 C ATOM 622 C ASN A 40 57.319 5.627 12.966 1.00 0.00 C ATOM 623 O ASN A 40 58.188 5.263 13.737 1.00 0.00 O ATOM 624 CB ASN A 40 57.061 7.830 14.151 1.00 0.00 C ATOM 625 CG ASN A 40 56.904 9.336 13.937 1.00 0.00 C ATOM 626 OD1 ASN A 40 55.806 9.856 13.972 1.00 0.00 O ATOM 627 ND2 ASN A 40 57.963 10.065 13.715 1.00 0.00 N ATOM 0 H ASN A 40 54.897 7.302 13.080 1.00 0.00 H new ATOM 0 HA ASN A 40 57.722 7.519 12.093 1.00 0.00 H new ATOM 0 HB2 ASN A 40 56.273 7.461 14.807 1.00 0.00 H new ATOM 0 HB3 ASN A 40 58.010 7.619 14.643 1.00 0.00 H new ATOM 0 HD21 ASN A 40 57.869 11.070 13.571 1.00 0.00 H new ATOM 0 HD22 ASN A 40 58.885 9.630 13.685 1.00 0.00 H new ATOM 634 N LEU A 41 56.630 4.761 12.250 1.00 0.00 N ATOM 635 CA LEU A 41 56.927 3.299 12.390 1.00 0.00 C ATOM 636 C LEU A 41 57.376 2.696 11.045 1.00 0.00 C ATOM 637 O LEU A 41 57.091 3.253 10.003 1.00 0.00 O ATOM 638 CB LEU A 41 55.636 2.639 12.885 1.00 0.00 C ATOM 639 CG LEU A 41 54.474 2.928 11.918 1.00 0.00 C ATOM 640 CD1 LEU A 41 53.909 1.610 11.382 1.00 0.00 C ATOM 641 CD2 LEU A 41 53.363 3.680 12.659 1.00 0.00 C ATOM 0 H LEU A 41 55.891 5.000 11.589 1.00 0.00 H new ATOM 0 HA LEU A 41 57.744 3.132 13.091 1.00 0.00 H new ATOM 0 HB2 LEU A 41 55.783 1.563 12.974 1.00 0.00 H new ATOM 0 HB3 LEU A 41 55.389 3.011 13.880 1.00 0.00 H new ATOM 0 HG LEU A 41 54.842 3.534 11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 41 53.087 1.818 10.698 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.692 1.067 10.853 1.00 0.00 H new ATOM 0 HD13 LEU A 41 53.545 1.005 12.213 1.00 0.00 H new ATOM 0 HD21 LEU A 41 52.541 3.884 11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 41 53.001 3.071 13.487 1.00 0.00 H new ATOM 0 HD23 LEU A 41 53.755 4.621 13.045 1.00 0.00 H new ATOM 653 N PRO A 42 58.083 1.574 11.102 1.00 0.00 N ATOM 654 CA PRO A 42 58.578 0.924 9.861 1.00 0.00 C ATOM 655 C PRO A 42 57.426 0.581 8.910 1.00 0.00 C ATOM 656 O PRO A 42 57.535 0.759 7.712 1.00 0.00 O ATOM 657 CB PRO A 42 59.244 -0.353 10.389 1.00 0.00 C ATOM 658 CG PRO A 42 59.101 -0.391 11.922 1.00 0.00 C ATOM 659 CD PRO A 42 58.426 0.898 12.386 1.00 0.00 C ATOM 0 HA PRO A 42 59.248 1.562 9.285 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.778 -1.233 9.945 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.297 -0.373 10.108 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.511 -1.256 12.225 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.080 -0.494 12.390 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.539 0.696 12.986 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.093 1.506 12.997 1.00 0.00 H new ATOM 667 N TRP A 43 56.335 0.081 9.429 1.00 0.00 N ATOM 668 CA TRP A 43 55.188 -0.295 8.546 1.00 0.00 C ATOM 669 C TRP A 43 54.408 0.955 8.131 1.00 0.00 C ATOM 670 O TRP A 43 54.511 1.997 8.747 1.00 0.00 O ATOM 671 CB TRP A 43 54.312 -1.218 9.396 1.00 0.00 C ATOM 672 CG TRP A 43 55.092 -2.419 9.812 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.828 -2.481 10.928 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.226 -3.714 9.155 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.416 -3.730 11.017 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.073 -4.528 9.944 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.703 -4.256 7.967 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.389 -5.833 9.570 1.00 0.00 C ATOM 679 CZ3 TRP A 43 55.021 -5.570 7.589 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.862 -6.357 8.388 1.00 0.00 C ATOM 0 H TRP A 43 56.187 -0.084 10.425 1.00 0.00 H new ATOM 0 HA TRP A 43 55.518 -0.782 7.629 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.953 -0.684 10.276 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.433 -1.523 8.828 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.944 -1.682 11.646 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.026 -4.024 11.780 1.00 0.00 H new ATOM 0 HE3 TRP A 43 54.054 -3.659 7.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.037 -6.435 10.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.614 -5.978 6.675 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.102 -7.367 8.090 1.00 0.00 H new ATOM 691 N TRP A 44 53.647 0.855 7.072 1.00 0.00 N ATOM 692 CA TRP A 44 52.868 2.030 6.583 1.00 0.00 C ATOM 693 C TRP A 44 51.432 1.634 6.238 1.00 0.00 C ATOM 694 O TRP A 44 50.985 0.539 6.509 1.00 0.00 O ATOM 695 CB TRP A 44 53.576 2.443 5.288 1.00 0.00 C ATOM 696 CG TRP A 44 54.639 3.476 5.507 1.00 0.00 C ATOM 697 CD1 TRP A 44 54.953 4.100 6.671 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.521 4.029 4.500 1.00 0.00 C ATOM 699 NE1 TRP A 44 55.993 4.985 6.432 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.375 4.976 5.103 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.658 3.784 3.125 1.00 0.00 C ATOM 702 CZ2 TRP A 44 57.337 5.664 4.362 1.00 0.00 C ATOM 703 CZ3 TRP A 44 56.618 4.471 2.373 1.00 0.00 C ATOM 704 CH2 TRP A 44 57.460 5.411 2.990 1.00 0.00 C ATOM 0 H TRP A 44 53.532 0.004 6.522 1.00 0.00 H new ATOM 0 HA TRP A 44 52.823 2.817 7.336 1.00 0.00 H new ATOM 0 HB2 TRP A 44 54.023 1.562 4.827 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.839 2.831 4.585 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.473 3.935 7.624 1.00 0.00 H new ATOM 0 HE1 TRP A 44 56.423 5.570 7.148 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.018 3.060 2.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 57.981 6.385 4.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 56.712 4.278 1.315 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.201 5.938 2.407 1.00 0.00 H new ATOM 715 N ARG A 45 50.735 2.528 5.593 1.00 0.00 N ATOM 716 CA ARG A 45 49.345 2.256 5.145 1.00 0.00 C ATOM 717 C ARG A 45 49.229 2.783 3.712 1.00 0.00 C ATOM 718 O ARG A 45 48.684 3.841 3.464 1.00 0.00 O ATOM 719 CB ARG A 45 48.445 3.045 6.098 1.00 0.00 C ATOM 720 CG ARG A 45 46.986 2.642 5.874 1.00 0.00 C ATOM 721 CD ARG A 45 46.240 2.658 7.210 1.00 0.00 C ATOM 722 NE ARG A 45 46.234 4.087 7.630 1.00 0.00 N ATOM 723 CZ ARG A 45 46.196 4.394 8.898 1.00 0.00 C ATOM 724 NH1 ARG A 45 45.048 4.515 9.506 1.00 0.00 N ATOM 725 NH2 ARG A 45 47.306 4.581 9.557 1.00 0.00 N ATOM 0 H ARG A 45 51.081 3.457 5.353 1.00 0.00 H new ATOM 0 HA ARG A 45 49.070 1.201 5.157 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.732 2.850 7.131 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.568 4.115 5.929 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.512 3.328 5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.937 1.648 5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 45 45.226 2.274 7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.740 2.031 7.949 1.00 0.00 H new ATOM 0 HE ARG A 45 46.260 4.825 6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.180 4.370 8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 45 45.019 4.755 10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 45 48.203 4.487 9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 45 47.277 4.821 10.548 1.00 0.00 H new ATOM 739 N ALA A 46 49.788 2.061 2.775 1.00 0.00 N ATOM 740 CA ALA A 46 49.780 2.510 1.352 1.00 0.00 C ATOM 741 C ALA A 46 48.836 1.644 0.519 1.00 0.00 C ATOM 742 O ALA A 46 48.199 0.744 1.031 1.00 0.00 O ATOM 743 CB ALA A 46 51.237 2.331 0.897 1.00 0.00 C ATOM 0 H ALA A 46 50.255 1.169 2.938 1.00 0.00 H new ATOM 0 HA ALA A 46 49.430 3.536 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.333 2.637 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.890 2.945 1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.523 1.284 0.995 1.00 0.00 H new ATOM 749 N ARG A 47 48.740 1.911 -0.762 1.00 0.00 N ATOM 750 CA ARG A 47 47.837 1.097 -1.626 1.00 0.00 C ATOM 751 C ARG A 47 48.600 0.538 -2.822 1.00 0.00 C ATOM 752 O ARG A 47 49.686 0.979 -3.139 1.00 0.00 O ATOM 753 CB ARG A 47 46.760 2.051 -2.130 1.00 0.00 C ATOM 754 CG ARG A 47 45.748 2.338 -1.026 1.00 0.00 C ATOM 755 CD ARG A 47 44.488 2.965 -1.629 1.00 0.00 C ATOM 756 NE ARG A 47 44.595 4.417 -1.324 1.00 0.00 N ATOM 757 CZ ARG A 47 44.721 5.280 -2.296 1.00 0.00 C ATOM 758 NH1 ARG A 47 45.876 5.437 -2.884 1.00 0.00 N ATOM 759 NH2 ARG A 47 43.693 5.986 -2.679 1.00 0.00 N ATOM 0 H ARG A 47 49.247 2.655 -1.242 1.00 0.00 H new ATOM 0 HA ARG A 47 47.421 0.258 -1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.217 2.982 -2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.254 1.616 -2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 47 45.493 1.415 -0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.183 3.011 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.436 2.791 -2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 47 43.586 2.536 -1.193 1.00 0.00 H new ATOM 0 HE ARG A 47 44.570 4.738 -0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 47 46.680 4.886 -2.584 1.00 0.00 H new ATOM 0 HH12 ARG A 47 45.974 6.111 -3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.791 5.864 -2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 47 43.792 6.660 -3.438 1.00 0.00 H new ATOM 773 N ASP A 48 48.021 -0.416 -3.498 1.00 0.00 N ATOM 774 CA ASP A 48 48.686 -1.005 -4.693 1.00 0.00 C ATOM 775 C ASP A 48 47.968 -0.538 -5.966 1.00 0.00 C ATOM 776 O ASP A 48 47.340 0.505 -5.981 1.00 0.00 O ATOM 777 CB ASP A 48 48.552 -2.521 -4.505 1.00 0.00 C ATOM 778 CG ASP A 48 47.072 -2.932 -4.421 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.223 -2.053 -4.382 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.816 -4.124 -4.397 1.00 0.00 O ATOM 0 H ASP A 48 47.110 -0.815 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 48 49.729 -0.704 -4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.031 -3.039 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.071 -2.827 -3.597 1.00 0.00 H new ATOM 785 N LYS A 49 48.050 -1.299 -7.030 1.00 0.00 N ATOM 786 CA LYS A 49 47.369 -0.900 -8.296 1.00 0.00 C ATOM 787 C LYS A 49 45.986 -1.553 -8.378 1.00 0.00 C ATOM 788 O LYS A 49 45.581 -2.039 -9.417 1.00 0.00 O ATOM 789 CB LYS A 49 48.274 -1.420 -9.414 1.00 0.00 C ATOM 790 CG LYS A 49 49.287 -0.337 -9.795 1.00 0.00 C ATOM 791 CD LYS A 49 49.672 -0.494 -11.269 1.00 0.00 C ATOM 792 CE LYS A 49 48.616 0.178 -12.148 1.00 0.00 C ATOM 793 NZ LYS A 49 49.190 0.158 -13.522 1.00 0.00 N ATOM 0 H LYS A 49 48.561 -2.181 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 49 47.218 0.177 -8.363 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.794 -2.320 -9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.676 -1.695 -10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 49 48.861 0.651 -9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.174 -0.416 -9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.649 -0.046 -11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.753 -1.551 -11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 49 47.669 -0.360 -12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 49 48.418 1.198 -11.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 48.522 0.603 -14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 50.088 0.683 -13.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 49.362 -0.826 -13.812 1.00 0.00 H new ATOM 807 N ASN A 50 45.261 -1.564 -7.287 1.00 0.00 N ATOM 808 CA ASN A 50 43.906 -2.177 -7.287 1.00 0.00 C ATOM 809 C ASN A 50 42.953 -1.392 -6.372 1.00 0.00 C ATOM 810 O ASN A 50 41.905 -1.883 -5.997 1.00 0.00 O ATOM 811 CB ASN A 50 44.112 -3.596 -6.756 1.00 0.00 C ATOM 812 CG ASN A 50 44.870 -4.425 -7.795 1.00 0.00 C ATOM 813 OD1 ASN A 50 46.080 -4.359 -7.876 1.00 0.00 O ATOM 814 ND2 ASN A 50 44.205 -5.209 -8.599 1.00 0.00 N ATOM 0 H ASN A 50 45.556 -1.171 -6.393 1.00 0.00 H new ATOM 0 HA ASN A 50 43.457 -2.172 -8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.670 -3.568 -5.820 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.149 -4.058 -6.539 1.00 0.00 H new ATOM 0 HD21 ASN A 50 44.702 -5.766 -9.295 1.00 0.00 H new ATOM 0 HD22 ASN A 50 43.189 -5.265 -8.532 1.00 0.00 H new ATOM 821 N GLY A 51 43.304 -0.178 -6.019 1.00 0.00 N ATOM 822 CA GLY A 51 42.416 0.637 -5.136 1.00 0.00 C ATOM 823 C GLY A 51 42.276 -0.039 -3.769 1.00 0.00 C ATOM 824 O GLY A 51 41.257 0.076 -3.115 1.00 0.00 O ATOM 0 H GLY A 51 44.168 0.282 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 51 42.829 1.638 -5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.435 0.750 -5.597 1.00 0.00 H new ATOM 828 N GLN A 52 43.293 -0.739 -3.335 1.00 0.00 N ATOM 829 CA GLN A 52 43.229 -1.423 -2.010 1.00 0.00 C ATOM 830 C GLN A 52 44.341 -0.904 -1.096 1.00 0.00 C ATOM 831 O GLN A 52 45.418 -0.570 -1.554 1.00 0.00 O ATOM 832 CB GLN A 52 43.437 -2.905 -2.320 1.00 0.00 C ATOM 833 CG GLN A 52 42.082 -3.569 -2.576 1.00 0.00 C ATOM 834 CD GLN A 52 42.251 -5.089 -2.583 1.00 0.00 C ATOM 835 OE1 GLN A 52 41.747 -5.772 -1.714 1.00 0.00 O ATOM 836 NE2 GLN A 52 42.946 -5.652 -3.534 1.00 0.00 N ATOM 0 H GLN A 52 44.168 -0.866 -3.844 1.00 0.00 H new ATOM 0 HA GLN A 52 42.285 -1.243 -1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.080 -3.018 -3.193 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.942 -3.394 -1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.370 -3.275 -1.805 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.675 -3.233 -3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 52 43.369 -5.079 -4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 52 43.066 -6.665 -3.547 1.00 0.00 H new ATOM 845 N GLU A 53 44.087 -0.834 0.189 1.00 0.00 N ATOM 846 CA GLU A 53 45.126 -0.334 1.145 1.00 0.00 C ATOM 847 C GLU A 53 45.440 -1.400 2.196 1.00 0.00 C ATOM 848 O GLU A 53 44.581 -2.166 2.592 1.00 0.00 O ATOM 849 CB GLU A 53 44.516 0.912 1.799 1.00 0.00 C ATOM 850 CG GLU A 53 43.196 0.553 2.490 1.00 0.00 C ATOM 851 CD GLU A 53 42.814 1.663 3.471 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.683 2.099 4.209 1.00 0.00 O ATOM 853 OE2 GLU A 53 41.660 2.059 3.468 1.00 0.00 O ATOM 0 H GLU A 53 43.202 -1.103 0.618 1.00 0.00 H new ATOM 0 HA GLU A 53 46.065 -0.103 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.214 1.329 2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.343 1.680 1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.409 0.423 1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.296 -0.395 3.018 1.00 0.00 H new ATOM 860 N GLY A 54 46.670 -1.457 2.645 1.00 0.00 N ATOM 861 CA GLY A 54 47.048 -2.478 3.668 1.00 0.00 C ATOM 862 C GLY A 54 48.279 -1.993 4.426 1.00 0.00 C ATOM 863 O GLY A 54 48.340 -0.853 4.846 1.00 0.00 O ATOM 0 H GLY A 54 47.427 -0.841 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.221 -2.642 4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.255 -3.434 3.187 1.00 0.00 H new ATOM 867 N TYR A 55 49.264 -2.841 4.599 1.00 0.00 N ATOM 868 CA TYR A 55 50.489 -2.409 5.320 1.00 0.00 C ATOM 869 C TYR A 55 51.740 -2.670 4.474 1.00 0.00 C ATOM 870 O TYR A 55 51.832 -3.653 3.763 1.00 0.00 O ATOM 871 CB TYR A 55 50.515 -3.232 6.608 1.00 0.00 C ATOM 872 CG TYR A 55 49.760 -2.497 7.690 1.00 0.00 C ATOM 873 CD1 TYR A 55 50.368 -1.438 8.373 1.00 0.00 C ATOM 874 CD2 TYR A 55 48.452 -2.876 8.010 1.00 0.00 C ATOM 875 CE1 TYR A 55 49.669 -0.757 9.375 1.00 0.00 C ATOM 876 CE2 TYR A 55 47.750 -2.196 9.013 1.00 0.00 C ATOM 877 CZ TYR A 55 48.360 -1.135 9.696 1.00 0.00 C ATOM 878 OH TYR A 55 47.669 -0.465 10.685 1.00 0.00 O ATOM 0 H TYR A 55 49.268 -3.807 4.272 1.00 0.00 H new ATOM 0 HA TYR A 55 50.480 -1.339 5.528 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.066 -4.210 6.436 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.545 -3.405 6.921 1.00 0.00 H new ATOM 0 HD1 TYR A 55 51.378 -1.146 8.126 1.00 0.00 H new ATOM 0 HD2 TYR A 55 47.983 -3.694 7.483 1.00 0.00 H new ATOM 0 HE1 TYR A 55 50.139 0.061 9.901 1.00 0.00 H new ATOM 0 HE2 TYR A 55 46.740 -2.489 9.260 1.00 0.00 H new ATOM 0 HH TYR A 55 46.774 -0.854 10.780 1.00 0.00 H new ATOM 888 N ILE A 56 52.694 -1.776 4.540 1.00 0.00 N ATOM 889 CA ILE A 56 53.946 -1.928 3.736 1.00 0.00 C ATOM 890 C ILE A 56 55.185 -1.662 4.632 1.00 0.00 C ATOM 891 O ILE A 56 55.385 -0.537 5.047 1.00 0.00 O ATOM 892 CB ILE A 56 53.814 -0.841 2.651 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.783 -1.284 1.617 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.145 -0.600 1.939 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.387 -0.902 2.097 1.00 0.00 C ATOM 0 H ILE A 56 52.659 -0.939 5.122 1.00 0.00 H new ATOM 0 HA ILE A 56 54.073 -2.926 3.317 1.00 0.00 H new ATOM 0 HB ILE A 56 53.504 0.084 3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.990 -0.813 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.845 -2.361 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 56 55.017 0.172 1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.892 -0.276 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.476 -1.524 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.649 -1.218 1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.182 -1.393 3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.330 0.179 2.227 1.00 0.00 H new ATOM 907 N PRO A 57 56.003 -2.677 4.890 1.00 0.00 N ATOM 908 CA PRO A 57 57.218 -2.454 5.714 1.00 0.00 C ATOM 909 C PRO A 57 58.146 -1.461 4.999 1.00 0.00 C ATOM 910 O PRO A 57 58.417 -1.594 3.821 1.00 0.00 O ATOM 911 CB PRO A 57 57.844 -3.852 5.787 1.00 0.00 C ATOM 912 CG PRO A 57 56.956 -4.834 5.000 1.00 0.00 C ATOM 913 CD PRO A 57 55.775 -4.064 4.401 1.00 0.00 C ATOM 0 HA PRO A 57 57.021 -2.033 6.700 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.851 -3.837 5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.933 -4.172 6.825 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.533 -5.314 4.209 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.596 -5.626 5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.771 -4.113 3.312 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.819 -4.461 4.742 1.00 0.00 H new ATOM 921 N SER A 58 58.614 -0.461 5.699 1.00 0.00 N ATOM 922 CA SER A 58 59.505 0.561 5.063 1.00 0.00 C ATOM 923 C SER A 58 60.758 -0.091 4.468 1.00 0.00 C ATOM 924 O SER A 58 61.259 0.335 3.445 1.00 0.00 O ATOM 925 CB SER A 58 59.886 1.521 6.192 1.00 0.00 C ATOM 926 OG SER A 58 59.075 2.685 6.111 1.00 0.00 O ATOM 0 H SER A 58 58.418 -0.305 6.688 1.00 0.00 H new ATOM 0 HA SER A 58 59.004 1.071 4.240 1.00 0.00 H new ATOM 0 HB2 SER A 58 59.751 1.036 7.159 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.939 1.791 6.115 1.00 0.00 H new ATOM 0 HG SER A 58 58.245 2.541 6.612 1.00 0.00 H new ATOM 932 N ASN A 59 61.270 -1.113 5.105 1.00 0.00 N ATOM 933 CA ASN A 59 62.497 -1.788 4.582 1.00 0.00 C ATOM 934 C ASN A 59 62.173 -2.579 3.311 1.00 0.00 C ATOM 935 O ASN A 59 62.937 -2.607 2.365 1.00 0.00 O ATOM 936 CB ASN A 59 62.953 -2.713 5.724 1.00 0.00 C ATOM 937 CG ASN A 59 61.992 -3.897 5.903 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.861 -3.720 6.310 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.401 -5.103 5.615 1.00 0.00 N ATOM 0 H ASN A 59 60.891 -1.510 5.965 1.00 0.00 H new ATOM 0 HA ASN A 59 63.278 -1.081 4.304 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.956 -3.085 5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.011 -2.146 6.653 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.771 -5.897 5.732 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.351 -5.252 5.273 1.00 0.00 H new ATOM 946 N TYR A 60 61.046 -3.230 3.305 1.00 0.00 N ATOM 947 CA TYR A 60 60.644 -4.047 2.117 1.00 0.00 C ATOM 948 C TYR A 60 60.475 -3.167 0.872 1.00 0.00 C ATOM 949 O TYR A 60 60.732 -3.602 -0.235 1.00 0.00 O ATOM 950 CB TYR A 60 59.306 -4.685 2.502 1.00 0.00 C ATOM 951 CG TYR A 60 59.535 -6.103 2.973 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.787 -6.358 4.326 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.493 -7.161 2.056 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.998 -7.671 4.763 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.705 -8.473 2.493 1.00 0.00 C ATOM 956 CZ TYR A 60 59.957 -8.729 3.846 1.00 0.00 C ATOM 957 OH TYR A 60 60.165 -10.024 4.277 1.00 0.00 O ATOM 0 H TYR A 60 60.378 -3.234 4.075 1.00 0.00 H new ATOM 0 HA TYR A 60 61.401 -4.791 1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.828 -4.103 3.290 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.630 -4.680 1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.819 -5.542 5.033 1.00 0.00 H new ATOM 0 HD2 TYR A 60 59.297 -6.964 1.012 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.192 -7.868 5.807 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.674 -9.289 1.786 1.00 0.00 H new ATOM 0 HH TYR A 60 60.102 -10.637 3.515 1.00 0.00 H new ATOM 967 N VAL A 61 60.041 -1.941 1.038 1.00 0.00 N ATOM 968 CA VAL A 61 59.851 -1.048 -0.151 1.00 0.00 C ATOM 969 C VAL A 61 60.877 0.084 -0.160 1.00 0.00 C ATOM 970 O VAL A 61 61.487 0.400 0.844 1.00 0.00 O ATOM 971 CB VAL A 61 58.438 -0.468 -0.026 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.409 -1.595 -0.134 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.281 0.243 1.325 1.00 0.00 C ATOM 0 H VAL A 61 59.811 -1.521 1.939 1.00 0.00 H new ATOM 0 HA VAL A 61 59.983 -1.607 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 61 58.276 0.251 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.405 -1.181 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.513 -2.091 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.576 -2.318 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.274 0.652 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.449 -0.469 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.008 1.052 1.397 1.00 0.00 H new ATOM 983 N THR A 62 61.046 0.707 -1.296 1.00 0.00 N ATOM 984 CA THR A 62 62.005 1.842 -1.408 1.00 0.00 C ATOM 985 C THR A 62 61.347 2.966 -2.217 1.00 0.00 C ATOM 986 O THR A 62 60.141 3.104 -2.212 1.00 0.00 O ATOM 987 CB THR A 62 63.233 1.271 -2.132 1.00 0.00 C ATOM 988 OG1 THR A 62 64.201 2.298 -2.293 1.00 0.00 O ATOM 989 CG2 THR A 62 62.837 0.726 -3.508 1.00 0.00 C ATOM 0 H THR A 62 60.555 0.475 -2.159 1.00 0.00 H new ATOM 0 HA THR A 62 62.290 2.260 -0.443 1.00 0.00 H new ATOM 0 HB THR A 62 63.648 0.457 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.429 2.387 -3.242 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.719 0.325 -4.008 1.00 0.00 H new ATOM 0 HG22 THR A 62 62.097 -0.065 -3.387 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.413 1.530 -4.110 1.00 0.00 H new ATOM 997 N GLU A 63 62.116 3.762 -2.909 1.00 0.00 N ATOM 998 CA GLU A 63 61.512 4.866 -3.714 1.00 0.00 C ATOM 999 C GLU A 63 60.862 4.302 -4.977 1.00 0.00 C ATOM 1000 O GLU A 63 61.407 3.439 -5.634 1.00 0.00 O ATOM 1001 CB GLU A 63 62.673 5.797 -4.066 1.00 0.00 C ATOM 1002 CG GLU A 63 62.151 7.226 -4.229 1.00 0.00 C ATOM 1003 CD GLU A 63 63.216 8.216 -3.755 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.381 7.980 -4.033 1.00 0.00 O ATOM 1005 OE2 GLU A 63 62.850 9.192 -3.121 1.00 0.00 O ATOM 0 H GLU A 63 63.133 3.697 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 63 60.731 5.394 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.431 5.763 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 63 63.152 5.466 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.901 7.416 -5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.235 7.358 -3.653 1.00 0.00 H new ATOM 1012 N ALA A 64 59.688 4.785 -5.311 1.00 0.00 N ATOM 1013 CA ALA A 64 58.962 4.285 -6.528 1.00 0.00 C ATOM 1014 C ALA A 64 59.889 4.233 -7.752 1.00 0.00 C ATOM 1015 O ALA A 64 60.928 4.867 -7.780 1.00 0.00 O ATOM 1016 CB ALA A 64 57.849 5.299 -6.764 1.00 0.00 C ATOM 0 H ALA A 64 59.196 5.510 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 64 58.588 3.272 -6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.269 5.006 -7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 64 57.197 5.333 -5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 64 58.284 6.284 -6.931 1.00 0.00 H new ATOM 1022 N GLU A 65 59.515 3.490 -8.766 1.00 0.00 N ATOM 1023 CA GLU A 65 60.360 3.390 -10.004 1.00 0.00 C ATOM 1024 C GLU A 65 61.803 3.004 -9.654 1.00 0.00 C ATOM 1025 O GLU A 65 62.148 2.832 -8.501 1.00 0.00 O ATOM 1026 CB GLU A 65 60.316 4.782 -10.639 1.00 0.00 C ATOM 1027 CG GLU A 65 59.093 4.889 -11.552 1.00 0.00 C ATOM 1028 CD GLU A 65 58.886 6.348 -11.961 1.00 0.00 C ATOM 1029 OE1 GLU A 65 58.218 7.059 -11.228 1.00 0.00 O ATOM 1030 OE2 GLU A 65 59.401 6.732 -12.998 1.00 0.00 O ATOM 0 H GLU A 65 58.654 2.943 -8.791 1.00 0.00 H new ATOM 0 HA GLU A 65 59.989 2.621 -10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.271 5.546 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 65 61.227 4.961 -11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 65 59.232 4.269 -12.437 1.00 0.00 H new ATOM 0 HG3 GLU A 65 58.208 4.516 -11.037 1.00 0.00 H new ATOM 1037 N ASP A 66 62.645 2.867 -10.647 1.00 0.00 N ATOM 1038 CA ASP A 66 64.066 2.492 -10.386 1.00 0.00 C ATOM 1039 C ASP A 66 65.004 3.593 -10.890 1.00 0.00 C ATOM 1040 O ASP A 66 65.981 3.326 -11.565 1.00 0.00 O ATOM 1041 CB ASP A 66 64.286 1.199 -11.172 1.00 0.00 C ATOM 1042 CG ASP A 66 63.936 -0.001 -10.290 1.00 0.00 C ATOM 1043 OD1 ASP A 66 64.483 -0.092 -9.203 1.00 0.00 O ATOM 1044 OD2 ASP A 66 63.125 -0.807 -10.715 1.00 0.00 O ATOM 0 H ASP A 66 62.408 2.999 -11.630 1.00 0.00 H new ATOM 0 HA ASP A 66 64.270 2.362 -9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 66 63.667 1.197 -12.069 1.00 0.00 H new ATOM 0 HB3 ASP A 66 65.323 1.132 -11.500 1.00 0.00 H new ATOM 1049 N SER A 67 64.713 4.827 -10.566 1.00 0.00 N ATOM 1050 CA SER A 67 65.581 5.953 -11.021 1.00 0.00 C ATOM 1051 C SER A 67 66.656 6.249 -9.972 1.00 0.00 C ATOM 1052 O SER A 67 66.292 6.580 -8.856 1.00 0.00 O ATOM 1053 CB SER A 67 64.636 7.145 -11.170 1.00 0.00 C ATOM 1054 OG SER A 67 63.989 7.390 -9.930 1.00 0.00 O ATOM 1055 OXT SER A 67 67.825 6.138 -10.304 1.00 0.00 O ATOM 0 H SER A 67 63.908 5.103 -10.004 1.00 0.00 H new ATOM 0 HA SER A 67 66.100 5.725 -11.952 1.00 0.00 H new ATOM 0 HB2 SER A 67 65.193 8.028 -11.483 1.00 0.00 H new ATOM 0 HB3 SER A 67 63.897 6.943 -11.945 1.00 0.00 H new ATOM 0 HG SER A 67 64.589 7.148 -9.194 1.00 0.00 H new TER 1061 SER A 67