USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 628 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 4 LYS NZ :NH3+ 174:sc= 0.00211 (180deg=0) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 1 SER N :NH3+ 143:sc= 0.167 (180deg=0.00606) USER MOD Single : A 1 SER OG : rot 180:sc= 0.121 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= 0.358 (180deg=0.185) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.784 K(o=-0.78,f=-0.023) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -55:sc= 0.947 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -46:sc= 0.85 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0382) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.0231 K(o=-0.023,f=-0.96) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.114 9.613 4.671 1.00 63.34 N ATOM 2 CA SER A 1 18.923 9.780 3.470 1.00 51.41 C ATOM 3 C SER A 1 20.349 10.186 3.828 1.00 34.34 C ATOM 4 O SER A 1 20.749 11.333 3.626 1.00 3.55 O ATOM 5 CB SER A 1 18.298 10.829 2.550 1.00 42.13 C ATOM 6 OG SER A 1 16.886 10.705 2.519 1.00 15.40 O ATOM 0 H1 SER A 1 17.148 9.953 4.489 1.00 63.34 H new ATOM 0 H2 SER A 1 18.083 8.607 4.932 1.00 63.34 H new ATOM 0 H3 SER A 1 18.532 10.160 5.450 1.00 63.34 H new ATOM 0 HA SER A 1 18.956 8.823 2.948 1.00 51.41 H new ATOM 0 HB2 SER A 1 18.571 11.827 2.893 1.00 42.13 H new ATOM 0 HB3 SER A 1 18.698 10.718 1.542 1.00 42.13 H new ATOM 0 HG SER A 1 16.511 11.388 1.925 1.00 15.40 H new ATOM 12 N ALA A 2 21.111 9.238 4.364 1.00 55.34 N ATOM 13 CA ALA A 2 22.493 9.495 4.749 1.00 53.30 C ATOM 14 C ALA A 2 23.456 9.117 3.629 1.00 43.14 C ATOM 15 O ALA A 2 24.150 9.971 3.079 1.00 52.12 O ATOM 16 CB ALA A 2 22.837 8.735 6.021 1.00 24.32 C ATOM 0 H ALA A 2 20.794 8.285 4.541 1.00 55.34 H new ATOM 0 HA ALA A 2 22.598 10.564 4.937 1.00 53.30 H new ATOM 0 HB1 ALA A 2 23.872 8.936 6.297 1.00 24.32 H new ATOM 0 HB2 ALA A 2 22.178 9.057 6.827 1.00 24.32 H new ATOM 0 HB3 ALA A 2 22.708 7.666 5.852 1.00 24.32 H new ATOM 22 N ALA A 3 23.493 7.831 3.295 1.00 4.10 N ATOM 23 CA ALA A 3 24.369 7.340 2.239 1.00 33.04 C ATOM 24 C ALA A 3 23.635 6.363 1.326 1.00 52.31 C ATOM 25 O ALA A 3 23.270 6.703 0.201 1.00 73.44 O ATOM 26 CB ALA A 3 25.601 6.679 2.841 1.00 53.15 C ATOM 0 H ALA A 3 22.926 7.110 3.741 1.00 4.10 H new ATOM 0 HA ALA A 3 24.684 8.192 1.637 1.00 33.04 H new ATOM 0 HB1 ALA A 3 26.247 6.317 2.041 1.00 53.15 H new ATOM 0 HB2 ALA A 3 26.145 7.405 3.446 1.00 53.15 H new ATOM 0 HB3 ALA A 3 25.295 5.841 3.468 1.00 53.15 H new ATOM 32 N LYS A 4 23.422 5.148 1.818 1.00 5.13 N ATOM 33 CA LYS A 4 22.731 4.120 1.047 1.00 73.25 C ATOM 34 C LYS A 4 22.599 2.832 1.853 1.00 54.10 C ATOM 35 O LYS A 4 23.594 2.185 2.176 1.00 54.52 O ATOM 36 CB LYS A 4 23.480 3.843 -0.259 1.00 30.43 C ATOM 37 CG LYS A 4 24.978 3.669 -0.076 1.00 63.03 C ATOM 38 CD LYS A 4 25.752 4.823 -0.691 1.00 21.31 C ATOM 39 CE LYS A 4 27.235 4.503 -0.801 1.00 43.12 C ATOM 40 NZ LYS A 4 27.934 5.426 -1.737 1.00 24.43 N ATOM 0 H LYS A 4 23.718 4.850 2.748 1.00 5.13 H new ATOM 0 HA LYS A 4 21.731 4.486 0.814 1.00 73.25 H new ATOM 0 HB2 LYS A 4 23.072 2.943 -0.718 1.00 30.43 H new ATOM 0 HB3 LYS A 4 23.300 4.664 -0.952 1.00 30.43 H new ATOM 0 HG2 LYS A 4 25.210 3.599 0.987 1.00 63.03 H new ATOM 0 HG3 LYS A 4 25.295 2.732 -0.534 1.00 63.03 H new ATOM 0 HD2 LYS A 4 25.352 5.045 -1.680 1.00 21.31 H new ATOM 0 HD3 LYS A 4 25.616 5.718 -0.084 1.00 21.31 H new ATOM 0 HE2 LYS A 4 27.695 4.569 0.185 1.00 43.12 H new ATOM 0 HE3 LYS A 4 27.360 3.476 -1.143 1.00 43.12 H new ATOM 0 HZ1 LYS A 4 28.957 5.241 -1.707 1.00 24.43 H new ATOM 0 HZ2 LYS A 4 27.582 5.272 -2.704 1.00 24.43 H new ATOM 0 HZ3 LYS A 4 27.752 6.410 -1.455 1.00 24.43 H new ATOM 54 N GLY A 5 21.362 2.464 2.174 1.00 55.51 N ATOM 55 CA GLY A 5 21.123 1.254 2.938 1.00 11.13 C ATOM 56 C GLY A 5 20.460 0.168 2.113 1.00 75.32 C ATOM 57 O GLY A 5 19.860 -0.758 2.659 1.00 44.15 O ATOM 0 H GLY A 5 20.522 2.982 1.918 1.00 55.51 H new ATOM 0 HA2 GLY A 5 22.070 0.882 3.329 1.00 11.13 H new ATOM 0 HA3 GLY A 5 20.494 1.489 3.797 1.00 11.13 H new ATOM 61 N THR A 6 20.567 0.282 0.792 1.00 12.13 N ATOM 62 CA THR A 6 19.971 -0.694 -0.110 1.00 2.45 C ATOM 63 C THR A 6 20.985 -1.184 -1.138 1.00 52.32 C ATOM 64 O THR A 6 21.389 -0.438 -2.029 1.00 70.52 O ATOM 65 CB THR A 6 18.752 -0.108 -0.846 1.00 44.24 C ATOM 66 OG1 THR A 6 18.318 -1.011 -1.870 1.00 71.01 O ATOM 67 CG2 THR A 6 19.089 1.242 -1.462 1.00 2.52 C ATOM 0 H THR A 6 21.061 1.042 0.324 1.00 12.13 H new ATOM 0 HA THR A 6 19.646 -1.534 0.504 1.00 2.45 H new ATOM 0 HB THR A 6 17.950 0.032 -0.121 1.00 44.24 H new ATOM 0 HG1 THR A 6 17.542 -0.632 -2.333 1.00 71.01 H new ATOM 0 HG21 THR A 6 18.213 1.636 -1.976 1.00 2.52 H new ATOM 0 HG22 THR A 6 19.391 1.935 -0.677 1.00 2.52 H new ATOM 0 HG23 THR A 6 19.905 1.123 -2.175 1.00 2.52 H new ATOM 75 N ALA A 7 21.392 -2.442 -1.008 1.00 43.34 N ATOM 76 CA ALA A 7 22.356 -3.032 -1.929 1.00 52.20 C ATOM 77 C ALA A 7 21.662 -3.906 -2.967 1.00 50.22 C ATOM 78 O ALA A 7 22.257 -4.840 -3.503 1.00 5.21 O ATOM 79 CB ALA A 7 23.391 -3.841 -1.162 1.00 12.23 C ATOM 0 H ALA A 7 21.069 -3.072 -0.274 1.00 43.34 H new ATOM 0 HA ALA A 7 22.861 -2.222 -2.455 1.00 52.20 H new ATOM 0 HB1 ALA A 7 24.105 -4.276 -1.862 1.00 12.23 H new ATOM 0 HB2 ALA A 7 23.918 -3.190 -0.464 1.00 12.23 H new ATOM 0 HB3 ALA A 7 22.893 -4.638 -0.609 1.00 12.23 H new ATOM 85 N GLU A 8 20.399 -3.596 -3.245 1.00 41.34 N ATOM 86 CA GLU A 8 19.623 -4.357 -4.218 1.00 52.32 C ATOM 87 C GLU A 8 19.557 -3.622 -5.554 1.00 74.13 C ATOM 88 O GLU A 8 18.727 -2.732 -5.747 1.00 33.13 O ATOM 89 CB GLU A 8 18.209 -4.609 -3.692 1.00 54.40 C ATOM 90 CG GLU A 8 18.111 -5.807 -2.762 1.00 60.01 C ATOM 91 CD GLU A 8 16.746 -5.932 -2.113 1.00 73.44 C ATOM 92 OE1 GLU A 8 15.813 -5.230 -2.558 1.00 21.44 O ATOM 93 OE2 GLU A 8 16.611 -6.729 -1.163 1.00 25.44 O ATOM 0 H GLU A 8 19.892 -2.825 -2.811 1.00 41.34 H new ATOM 0 HA GLU A 8 20.121 -5.314 -4.373 1.00 52.32 H new ATOM 0 HB2 GLU A 8 17.863 -3.720 -3.164 1.00 54.40 H new ATOM 0 HB3 GLU A 8 17.537 -4.760 -4.537 1.00 54.40 H new ATOM 0 HG2 GLU A 8 18.327 -6.716 -3.323 1.00 60.01 H new ATOM 0 HG3 GLU A 8 18.872 -5.723 -1.986 1.00 60.01 H new ATOM 100 N THR A 9 20.437 -4.000 -6.475 1.00 53.03 N ATOM 101 CA THR A 9 20.481 -3.376 -7.793 1.00 4.11 C ATOM 102 C THR A 9 19.279 -3.788 -8.635 1.00 20.53 C ATOM 103 O THR A 9 19.208 -4.914 -9.127 1.00 10.12 O ATOM 104 CB THR A 9 21.772 -3.746 -8.546 1.00 3.40 C ATOM 105 OG1 THR A 9 22.838 -3.965 -7.615 1.00 65.32 O ATOM 106 CG2 THR A 9 22.163 -2.646 -9.522 1.00 42.32 C ATOM 0 H THR A 9 21.130 -4.735 -6.333 1.00 53.03 H new ATOM 0 HA THR A 9 20.458 -2.298 -7.634 1.00 4.11 H new ATOM 0 HB THR A 9 21.588 -4.661 -9.108 1.00 3.40 H new ATOM 0 HG1 THR A 9 23.655 -4.201 -8.102 1.00 65.32 H new ATOM 0 HG21 THR A 9 23.078 -2.930 -10.042 1.00 42.32 H new ATOM 0 HG22 THR A 9 21.363 -2.502 -10.248 1.00 42.32 H new ATOM 0 HG23 THR A 9 22.329 -1.717 -8.976 1.00 42.32 H new ATOM 114 N LYS A 10 18.335 -2.868 -8.798 1.00 73.03 N ATOM 115 CA LYS A 10 17.135 -3.132 -9.584 1.00 41.41 C ATOM 116 C LYS A 10 16.341 -1.851 -9.814 1.00 73.43 C ATOM 117 O LYS A 10 15.126 -1.819 -9.619 1.00 42.32 O ATOM 118 CB LYS A 10 16.257 -4.169 -8.878 1.00 50.34 C ATOM 119 CG LYS A 10 15.208 -4.794 -9.782 1.00 14.44 C ATOM 120 CD LYS A 10 15.531 -6.247 -10.087 1.00 43.12 C ATOM 121 CE LYS A 10 15.183 -6.605 -11.524 1.00 22.10 C ATOM 122 NZ LYS A 10 13.907 -7.370 -11.611 1.00 52.31 N ATOM 0 H LYS A 10 18.377 -1.932 -8.396 1.00 73.03 H new ATOM 0 HA LYS A 10 17.445 -3.524 -10.553 1.00 41.41 H new ATOM 0 HB2 LYS A 10 16.893 -4.957 -8.474 1.00 50.34 H new ATOM 0 HB3 LYS A 10 15.760 -3.696 -8.031 1.00 50.34 H new ATOM 0 HG2 LYS A 10 14.230 -4.730 -9.305 1.00 14.44 H new ATOM 0 HG3 LYS A 10 15.146 -4.231 -10.713 1.00 14.44 H new ATOM 0 HD2 LYS A 10 16.591 -6.430 -9.912 1.00 43.12 H new ATOM 0 HD3 LYS A 10 14.979 -6.894 -9.406 1.00 43.12 H new ATOM 0 HE2 LYS A 10 15.101 -5.693 -12.116 1.00 22.10 H new ATOM 0 HE3 LYS A 10 15.991 -7.195 -11.957 1.00 22.10 H new ATOM 0 HZ1 LYS A 10 13.704 -7.595 -12.606 1.00 52.31 H new ATOM 0 HZ2 LYS A 10 13.993 -8.252 -11.067 1.00 52.31 H new ATOM 0 HZ3 LYS A 10 13.132 -6.797 -11.221 1.00 52.31 H new ATOM 136 N GLN A 11 17.035 -0.796 -10.231 1.00 14.55 N ATOM 137 CA GLN A 11 16.393 0.487 -10.487 1.00 54.10 C ATOM 138 C GLN A 11 15.855 0.551 -11.913 1.00 32.12 C ATOM 139 O GLN A 11 14.732 0.998 -12.142 1.00 3.14 O ATOM 140 CB GLN A 11 17.381 1.631 -10.251 1.00 73.43 C ATOM 141 CG GLN A 11 17.922 1.685 -8.831 1.00 23.22 C ATOM 142 CD GLN A 11 19.181 2.522 -8.717 1.00 52.01 C ATOM 143 OE1 GLN A 11 19.118 3.730 -8.490 1.00 60.42 O ATOM 144 NE2 GLN A 11 20.334 1.882 -8.874 1.00 1.02 N ATOM 0 H GLN A 11 18.041 -0.805 -10.398 1.00 14.55 H new ATOM 0 HA GLN A 11 15.556 0.590 -9.797 1.00 54.10 H new ATOM 0 HB2 GLN A 11 18.215 1.528 -10.945 1.00 73.43 H new ATOM 0 HB3 GLN A 11 16.890 2.577 -10.480 1.00 73.43 H new ATOM 0 HG2 GLN A 11 17.157 2.094 -8.170 1.00 23.22 H new ATOM 0 HG3 GLN A 11 18.131 0.672 -8.487 1.00 23.22 H new ATOM 0 HE21 GLN A 11 20.339 0.879 -9.061 1.00 1.02 H new ATOM 0 HE22 GLN A 11 21.214 2.393 -8.808 1.00 1.02 H new ATOM 153 N GLU A 12 16.665 0.103 -12.866 1.00 41.42 N ATOM 154 CA GLU A 12 16.269 0.111 -14.270 1.00 41.31 C ATOM 155 C GLU A 12 16.095 1.539 -14.778 1.00 53.10 C ATOM 156 O GLU A 12 15.763 2.446 -14.015 1.00 1.42 O ATOM 157 CB GLU A 12 14.969 -0.672 -14.461 1.00 4.13 C ATOM 158 CG GLU A 12 14.946 -2.004 -13.728 1.00 75.31 C ATOM 159 CD GLU A 12 16.079 -2.920 -14.149 1.00 21.21 C ATOM 160 OE1 GLU A 12 15.928 -3.617 -15.174 1.00 63.10 O ATOM 161 OE2 GLU A 12 17.115 -2.940 -13.453 1.00 11.12 O ATOM 0 H GLU A 12 17.598 -0.270 -12.693 1.00 41.42 H new ATOM 0 HA GLU A 12 17.061 -0.367 -14.847 1.00 41.31 H new ATOM 0 HB2 GLU A 12 14.134 -0.063 -14.116 1.00 4.13 H new ATOM 0 HB3 GLU A 12 14.815 -0.850 -15.525 1.00 4.13 H new ATOM 0 HG2 GLU A 12 15.008 -1.825 -12.655 1.00 75.31 H new ATOM 0 HG3 GLU A 12 13.994 -2.501 -13.914 1.00 75.31 H new ATOM 168 N LYS A 13 16.322 1.732 -16.073 1.00 11.53 N ATOM 169 CA LYS A 13 16.191 3.048 -16.687 1.00 21.54 C ATOM 170 C LYS A 13 16.274 2.951 -18.206 1.00 53.32 C ATOM 171 O LYS A 13 17.221 3.444 -18.818 1.00 34.04 O ATOM 172 CB LYS A 13 17.279 3.988 -16.164 1.00 20.21 C ATOM 173 CG LYS A 13 16.956 5.460 -16.356 1.00 10.12 C ATOM 174 CD LYS A 13 15.938 5.945 -15.338 1.00 23.21 C ATOM 175 CE LYS A 13 15.658 7.432 -15.495 1.00 52.52 C ATOM 176 NZ LYS A 13 14.199 7.725 -15.480 1.00 71.35 N ATOM 0 H LYS A 13 16.598 0.992 -16.719 1.00 11.53 H new ATOM 0 HA LYS A 13 15.214 3.450 -16.420 1.00 21.54 H new ATOM 0 HB2 LYS A 13 17.435 3.794 -15.103 1.00 20.21 H new ATOM 0 HB3 LYS A 13 18.217 3.762 -16.671 1.00 20.21 H new ATOM 0 HG2 LYS A 13 17.869 6.048 -16.267 1.00 10.12 H new ATOM 0 HG3 LYS A 13 16.570 5.620 -17.363 1.00 10.12 H new ATOM 0 HD2 LYS A 13 15.010 5.385 -15.454 1.00 23.21 H new ATOM 0 HD3 LYS A 13 16.306 5.747 -14.331 1.00 23.21 H new ATOM 0 HE2 LYS A 13 16.147 7.981 -14.690 1.00 52.52 H new ATOM 0 HE3 LYS A 13 16.090 7.786 -16.431 1.00 52.52 H new ATOM 0 HZ1 LYS A 13 14.049 8.748 -15.589 1.00 71.35 H new ATOM 0 HZ2 LYS A 13 13.736 7.222 -16.263 1.00 71.35 H new ATOM 0 HZ3 LYS A 13 13.791 7.410 -14.577 1.00 71.35 H new ATOM 190 N SER A 14 15.275 2.314 -18.810 1.00 54.43 N ATOM 191 CA SER A 14 15.239 2.152 -20.259 1.00 24.32 C ATOM 192 C SER A 14 13.868 2.531 -20.812 1.00 45.42 C ATOM 193 O SER A 14 12.945 2.843 -20.059 1.00 3.41 O ATOM 194 CB SER A 14 15.573 0.709 -20.640 1.00 3.13 C ATOM 195 OG SER A 14 16.189 0.647 -21.914 1.00 51.43 O ATOM 0 H SER A 14 14.481 1.902 -18.319 1.00 54.43 H new ATOM 0 HA SER A 14 15.985 2.817 -20.694 1.00 24.32 H new ATOM 0 HB2 SER A 14 16.236 0.276 -19.891 1.00 3.13 H new ATOM 0 HB3 SER A 14 14.662 0.111 -20.644 1.00 3.13 H new ATOM 0 HG SER A 14 16.394 -0.286 -22.133 1.00 51.43 H new ATOM 201 N PHE A 15 13.743 2.503 -22.135 1.00 45.23 N ATOM 202 CA PHE A 15 12.486 2.844 -22.792 1.00 0.11 C ATOM 203 C PHE A 15 11.340 2.000 -22.243 1.00 22.31 C ATOM 204 O PHE A 15 10.324 2.531 -21.793 1.00 40.01 O ATOM 205 CB PHE A 15 12.606 2.642 -24.304 1.00 23.33 C ATOM 206 CG PHE A 15 11.849 3.660 -25.106 1.00 71.51 C ATOM 207 CD1 PHE A 15 12.404 4.900 -25.378 1.00 11.01 C ATOM 208 CD2 PHE A 15 10.580 3.380 -25.588 1.00 3.13 C ATOM 209 CE1 PHE A 15 11.710 5.840 -26.117 1.00 74.52 C ATOM 210 CE2 PHE A 15 9.882 4.315 -26.327 1.00 61.44 C ATOM 211 CZ PHE A 15 10.447 5.548 -26.591 1.00 1.13 C ATOM 0 H PHE A 15 14.497 2.248 -22.773 1.00 45.23 H new ATOM 0 HA PHE A 15 12.270 3.893 -22.589 1.00 0.11 H new ATOM 0 HB2 PHE A 15 13.658 2.679 -24.585 1.00 23.33 H new ATOM 0 HB3 PHE A 15 12.243 1.647 -24.560 1.00 23.33 H new ATOM 0 HD1 PHE A 15 13.391 5.135 -25.008 1.00 11.01 H new ATOM 0 HD2 PHE A 15 10.132 2.419 -25.383 1.00 3.13 H new ATOM 0 HE1 PHE A 15 12.156 6.802 -26.323 1.00 74.52 H new ATOM 0 HE2 PHE A 15 8.895 4.082 -26.698 1.00 61.44 H new ATOM 0 HZ PHE A 15 9.902 6.281 -27.167 1.00 1.13 H new ATOM 221 N VAL A 16 11.509 0.682 -22.285 1.00 53.33 N ATOM 222 CA VAL A 16 10.489 -0.236 -21.793 1.00 14.24 C ATOM 223 C VAL A 16 10.131 0.069 -20.342 1.00 63.23 C ATOM 224 O VAL A 16 8.973 -0.050 -19.940 1.00 63.11 O ATOM 225 CB VAL A 16 10.954 -1.700 -21.898 1.00 11.40 C ATOM 226 CG1 VAL A 16 12.271 -1.896 -21.163 1.00 5.05 C ATOM 227 CG2 VAL A 16 9.886 -2.638 -21.357 1.00 22.11 C ATOM 0 H VAL A 16 12.343 0.226 -22.655 1.00 53.33 H new ATOM 0 HA VAL A 16 9.608 -0.097 -22.420 1.00 14.24 H new ATOM 0 HB VAL A 16 11.114 -1.938 -22.950 1.00 11.40 H new ATOM 0 HG11 VAL A 16 12.584 -2.937 -21.248 1.00 5.05 H new ATOM 0 HG12 VAL A 16 13.032 -1.251 -21.602 1.00 5.05 H new ATOM 0 HG13 VAL A 16 12.142 -1.641 -20.111 1.00 5.05 H new ATOM 0 HG21 VAL A 16 10.231 -3.669 -21.439 1.00 22.11 H new ATOM 0 HG22 VAL A 16 9.691 -2.403 -20.311 1.00 22.11 H new ATOM 0 HG23 VAL A 16 8.969 -2.516 -21.933 1.00 22.11 H new ATOM 237 N ASP A 17 11.130 0.462 -19.561 1.00 52.22 N ATOM 238 CA ASP A 17 10.920 0.786 -18.155 1.00 43.23 C ATOM 239 C ASP A 17 9.943 1.948 -18.005 1.00 4.21 C ATOM 240 O ASP A 17 9.153 1.988 -17.062 1.00 22.34 O ATOM 241 CB ASP A 17 12.250 1.133 -17.485 1.00 40.34 C ATOM 242 CG ASP A 17 12.120 1.286 -15.983 1.00 33.41 C ATOM 243 OD1 ASP A 17 11.892 0.266 -15.300 1.00 24.52 O ATOM 244 OD2 ASP A 17 12.246 2.427 -15.490 1.00 11.11 O ATOM 0 H ASP A 17 12.094 0.564 -19.878 1.00 52.22 H new ATOM 0 HA ASP A 17 10.493 -0.090 -17.666 1.00 43.23 H new ATOM 0 HB2 ASP A 17 12.979 0.353 -17.706 1.00 40.34 H new ATOM 0 HB3 ASP A 17 12.636 2.060 -17.909 1.00 40.34 H new ATOM 249 N TRP A 18 10.003 2.890 -18.939 1.00 4.23 N ATOM 250 CA TRP A 18 9.123 4.053 -18.910 1.00 5.51 C ATOM 251 C TRP A 18 7.793 3.747 -19.591 1.00 13.44 C ATOM 252 O TRP A 18 6.743 4.227 -19.166 1.00 73.55 O ATOM 253 CB TRP A 18 9.797 5.244 -19.591 1.00 40.32 C ATOM 254 CG TRP A 18 8.939 6.473 -19.622 1.00 14.43 C ATOM 255 CD1 TRP A 18 8.080 6.898 -18.650 1.00 12.10 C ATOM 256 CD2 TRP A 18 8.858 7.434 -20.680 1.00 53.11 C ATOM 257 NE1 TRP A 18 7.469 8.065 -19.039 1.00 13.10 N ATOM 258 CE2 TRP A 18 7.931 8.416 -20.281 1.00 65.31 C ATOM 259 CE3 TRP A 18 9.481 7.563 -21.925 1.00 65.31 C ATOM 260 CZ2 TRP A 18 7.611 9.508 -21.083 1.00 2.32 C ATOM 261 CZ3 TRP A 18 9.162 8.647 -22.720 1.00 53.13 C ATOM 262 CH2 TRP A 18 8.235 9.608 -22.296 1.00 55.25 C ATOM 0 H TRP A 18 10.652 2.872 -19.726 1.00 4.23 H new ATOM 0 HA TRP A 18 8.926 4.303 -17.868 1.00 5.51 H new ATOM 0 HB2 TRP A 18 10.728 5.472 -19.071 1.00 40.32 H new ATOM 0 HB3 TRP A 18 10.061 4.968 -20.612 1.00 40.32 H new ATOM 0 HD1 TRP A 18 7.906 6.391 -17.712 1.00 12.10 H new ATOM 0 HE1 TRP A 18 6.783 8.586 -18.493 1.00 13.10 H new ATOM 0 HE3 TRP A 18 10.199 6.828 -22.259 1.00 65.31 H new ATOM 0 HZ2 TRP A 18 6.896 10.250 -20.759 1.00 2.32 H new ATOM 0 HZ3 TRP A 18 9.635 8.755 -23.685 1.00 53.13 H new ATOM 0 HH2 TRP A 18 8.008 10.445 -22.940 1.00 55.25 H new ATOM 273 N LEU A 19 7.846 2.945 -20.649 1.00 55.00 N ATOM 274 CA LEU A 19 6.645 2.575 -21.388 1.00 53.24 C ATOM 275 C LEU A 19 5.737 1.687 -20.545 1.00 4.54 C ATOM 276 O LEU A 19 4.559 1.987 -20.354 1.00 61.42 O ATOM 277 CB LEU A 19 7.022 1.855 -22.684 1.00 3.43 C ATOM 278 CG LEU A 19 6.627 2.558 -23.983 1.00 23.51 C ATOM 279 CD1 LEU A 19 7.155 3.984 -24.000 1.00 2.54 C ATOM 280 CD2 LEU A 19 7.141 1.782 -25.187 1.00 42.12 C ATOM 0 H LEU A 19 8.708 2.539 -21.014 1.00 55.00 H new ATOM 0 HA LEU A 19 6.103 3.489 -21.631 1.00 53.24 H new ATOM 0 HB2 LEU A 19 8.101 1.703 -22.691 1.00 3.43 H new ATOM 0 HB3 LEU A 19 6.561 0.867 -22.674 1.00 3.43 H new ATOM 0 HG LEU A 19 5.539 2.595 -24.038 1.00 23.51 H new ATOM 0 HD11 LEU A 19 6.864 4.469 -24.932 1.00 2.54 H new ATOM 0 HD12 LEU A 19 6.738 4.537 -23.158 1.00 2.54 H new ATOM 0 HD13 LEU A 19 8.242 3.970 -23.922 1.00 2.54 H new ATOM 0 HD21 LEU A 19 6.851 2.297 -26.103 1.00 42.12 H new ATOM 0 HD22 LEU A 19 8.228 1.713 -25.138 1.00 42.12 H new ATOM 0 HD23 LEU A 19 6.713 0.779 -25.183 1.00 42.12 H new ATOM 292 N LEU A 20 6.294 0.592 -20.039 1.00 4.52 N ATOM 293 CA LEU A 20 5.536 -0.342 -19.212 1.00 51.54 C ATOM 294 C LEU A 20 5.033 0.340 -17.944 1.00 34.10 C ATOM 295 O LEU A 20 4.026 -0.066 -17.366 1.00 41.21 O ATOM 296 CB LEU A 20 6.400 -1.550 -18.848 1.00 54.33 C ATOM 297 CG LEU A 20 5.694 -2.906 -18.848 1.00 63.52 C ATOM 298 CD1 LEU A 20 4.494 -2.882 -17.915 1.00 34.50 C ATOM 299 CD2 LEU A 20 5.267 -3.284 -20.259 1.00 23.23 C ATOM 0 H LEU A 20 7.268 0.329 -20.187 1.00 4.52 H new ATOM 0 HA LEU A 20 4.674 -0.681 -19.787 1.00 51.54 H new ATOM 0 HB2 LEU A 20 7.235 -1.598 -19.547 1.00 54.33 H new ATOM 0 HB3 LEU A 20 6.823 -1.383 -17.857 1.00 54.33 H new ATOM 0 HG LEU A 20 6.394 -3.659 -18.487 1.00 63.52 H new ATOM 0 HD11 LEU A 20 4.004 -3.855 -17.928 1.00 34.50 H new ATOM 0 HD12 LEU A 20 4.826 -2.656 -16.902 1.00 34.50 H new ATOM 0 HD13 LEU A 20 3.791 -2.117 -18.246 1.00 34.50 H new ATOM 0 HD21 LEU A 20 4.766 -4.252 -20.241 1.00 23.23 H new ATOM 0 HD22 LEU A 20 4.583 -2.529 -20.647 1.00 23.23 H new ATOM 0 HD23 LEU A 20 6.145 -3.342 -20.902 1.00 23.23 H new ATOM 311 N GLY A 21 5.742 1.381 -17.517 1.00 62.25 N ATOM 312 CA GLY A 21 5.351 2.105 -16.321 1.00 4.32 C ATOM 313 C GLY A 21 3.942 2.655 -16.411 1.00 63.24 C ATOM 314 O GLY A 21 3.311 2.938 -15.393 1.00 71.43 O ATOM 0 H GLY A 21 6.580 1.736 -17.978 1.00 62.25 H new ATOM 0 HA2 GLY A 21 5.425 1.442 -15.459 1.00 4.32 H new ATOM 0 HA3 GLY A 21 6.048 2.926 -16.153 1.00 4.32 H new ATOM 318 N LYS A 22 3.445 2.808 -17.634 1.00 64.45 N ATOM 319 CA LYS A 22 2.100 3.329 -17.855 1.00 12.52 C ATOM 320 C LYS A 22 1.076 2.199 -17.880 1.00 12.43 C ATOM 321 O LYS A 22 0.063 2.252 -17.182 1.00 1.03 O ATOM 322 CB LYS A 22 2.045 4.111 -19.170 1.00 30.43 C ATOM 323 CG LYS A 22 2.867 5.388 -19.153 1.00 2.32 C ATOM 324 CD LYS A 22 3.997 5.335 -20.168 1.00 54.33 C ATOM 325 CE LYS A 22 4.899 6.556 -20.062 1.00 72.21 C ATOM 326 NZ LYS A 22 4.774 7.444 -21.252 1.00 5.05 N ATOM 0 H LYS A 22 3.953 2.579 -18.488 1.00 64.45 H new ATOM 0 HA LYS A 22 1.856 3.998 -17.030 1.00 12.52 H new ATOM 0 HB2 LYS A 22 2.399 3.471 -19.978 1.00 30.43 H new ATOM 0 HB3 LYS A 22 1.007 4.360 -19.392 1.00 30.43 H new ATOM 0 HG2 LYS A 22 2.222 6.240 -19.368 1.00 2.32 H new ATOM 0 HG3 LYS A 22 3.279 5.544 -18.156 1.00 2.32 H new ATOM 0 HD2 LYS A 22 4.586 4.431 -20.011 1.00 54.33 H new ATOM 0 HD3 LYS A 22 3.582 5.274 -21.174 1.00 54.33 H new ATOM 0 HE2 LYS A 22 4.646 7.117 -19.162 1.00 72.21 H new ATOM 0 HE3 LYS A 22 5.935 6.234 -19.956 1.00 72.21 H new ATOM 0 HZ1 LYS A 22 5.603 8.070 -21.307 1.00 5.05 H new ATOM 0 HZ2 LYS A 22 4.720 6.864 -22.114 1.00 5.05 H new ATOM 0 HZ3 LYS A 22 3.912 8.019 -21.167 1.00 5.05 H new ATOM 340 N ILE A 23 1.348 1.178 -18.686 1.00 33.10 N ATOM 341 CA ILE A 23 0.451 0.034 -18.798 1.00 14.01 C ATOM 342 C ILE A 23 0.298 -0.677 -17.458 1.00 63.15 C ATOM 343 O ILE A 23 -0.790 -1.133 -17.105 1.00 24.24 O ATOM 344 CB ILE A 23 0.953 -0.973 -19.848 1.00 42.21 C ATOM 345 CG1 ILE A 23 1.104 -0.292 -21.210 1.00 11.54 C ATOM 346 CG2 ILE A 23 0.000 -2.157 -19.944 1.00 75.23 C ATOM 347 CD1 ILE A 23 2.542 -0.019 -21.591 1.00 70.14 C ATOM 0 H ILE A 23 2.182 1.120 -19.271 1.00 33.10 H new ATOM 0 HA ILE A 23 -0.518 0.421 -19.113 1.00 14.01 H new ATOM 0 HB ILE A 23 1.931 -1.342 -19.538 1.00 42.21 H new ATOM 0 HG12 ILE A 23 0.647 -0.920 -21.974 1.00 11.54 H new ATOM 0 HG13 ILE A 23 0.554 0.649 -21.200 1.00 11.54 H new ATOM 0 HG21 ILE A 23 0.368 -2.861 -20.691 1.00 75.23 H new ATOM 0 HG22 ILE A 23 -0.061 -2.654 -18.976 1.00 75.23 H new ATOM 0 HG23 ILE A 23 -0.990 -1.805 -20.234 1.00 75.23 H new ATOM 0 HD11 ILE A 23 2.574 0.465 -22.567 1.00 70.14 H new ATOM 0 HD12 ILE A 23 2.998 0.634 -20.847 1.00 70.14 H new ATOM 0 HD13 ILE A 23 3.092 -0.959 -21.634 1.00 70.14 H new ATOM 359 N THR A 24 1.395 -0.768 -16.714 1.00 3.24 N ATOM 360 CA THR A 24 1.384 -1.424 -15.412 1.00 11.12 C ATOM 361 C THR A 24 0.309 -0.832 -14.507 1.00 0.31 C ATOM 362 O THR A 24 -0.233 -1.517 -13.640 1.00 65.42 O ATOM 363 CB THR A 24 2.751 -1.306 -14.711 1.00 62.40 C ATOM 364 OG1 THR A 24 2.770 -2.122 -13.535 1.00 50.52 O ATOM 365 CG2 THR A 24 3.043 0.139 -14.336 1.00 63.40 C ATOM 0 H THR A 24 2.303 -0.396 -16.991 1.00 3.24 H new ATOM 0 HA THR A 24 1.166 -2.477 -15.591 1.00 11.12 H new ATOM 0 HB THR A 24 3.521 -1.648 -15.403 1.00 62.40 H new ATOM 0 HG1 THR A 24 3.643 -2.043 -13.096 1.00 50.52 H new ATOM 0 HG21 THR A 24 4.013 0.198 -13.842 1.00 63.40 H new ATOM 0 HG22 THR A 24 3.056 0.753 -15.236 1.00 63.40 H new ATOM 0 HG23 THR A 24 2.269 0.503 -13.660 1.00 63.40 H new ATOM 373 N LYS A 25 0.004 0.445 -14.715 1.00 42.43 N ATOM 374 CA LYS A 25 -1.008 1.129 -13.920 1.00 41.14 C ATOM 375 C LYS A 25 -2.405 0.622 -14.265 1.00 31.43 C ATOM 376 O LYS A 25 -3.049 -0.044 -13.455 1.00 32.11 O ATOM 377 CB LYS A 25 -0.932 2.640 -14.152 1.00 61.23 C ATOM 378 CG LYS A 25 0.414 3.244 -13.788 1.00 5.51 C ATOM 379 CD LYS A 25 0.692 3.131 -12.299 1.00 23.32 C ATOM 380 CE LYS A 25 1.665 4.202 -11.831 1.00 25.41 C ATOM 381 NZ LYS A 25 1.015 5.178 -10.913 1.00 71.11 N ATOM 0 H LYS A 25 0.444 1.027 -15.428 1.00 42.43 H new ATOM 0 HA LYS A 25 -0.813 0.918 -12.869 1.00 41.14 H new ATOM 0 HB2 LYS A 25 -1.143 2.849 -15.201 1.00 61.23 H new ATOM 0 HB3 LYS A 25 -1.711 3.129 -13.566 1.00 61.23 H new ATOM 0 HG2 LYS A 25 1.203 2.739 -14.346 1.00 5.51 H new ATOM 0 HG3 LYS A 25 0.435 4.293 -14.084 1.00 5.51 H new ATOM 0 HD2 LYS A 25 -0.243 3.220 -11.745 1.00 23.32 H new ATOM 0 HD3 LYS A 25 1.101 2.145 -12.078 1.00 23.32 H new ATOM 0 HE2 LYS A 25 2.507 3.731 -11.324 1.00 25.41 H new ATOM 0 HE3 LYS A 25 2.068 4.729 -12.696 1.00 25.41 H new ATOM 0 HZ1 LYS A 25 1.711 5.892 -10.616 1.00 71.11 H new ATOM 0 HZ2 LYS A 25 0.227 5.646 -11.405 1.00 71.11 H new ATOM 0 HZ3 LYS A 25 0.653 4.679 -10.076 1.00 71.11 H new ATOM 395 N GLU A 26 -2.866 0.940 -15.470 1.00 13.42 N ATOM 396 CA GLU A 26 -4.186 0.515 -15.920 1.00 23.35 C ATOM 397 C GLU A 26 -5.266 0.973 -14.944 1.00 73.14 C ATOM 398 O GLU A 26 -6.239 0.260 -14.698 1.00 32.32 O ATOM 399 CB GLU A 26 -4.232 -1.008 -16.069 1.00 63.42 C ATOM 400 CG GLU A 26 -5.016 -1.475 -17.284 1.00 24.44 C ATOM 401 CD GLU A 26 -6.256 -2.263 -16.909 1.00 24.11 C ATOM 402 OE1 GLU A 26 -6.169 -3.106 -15.992 1.00 73.10 O ATOM 403 OE2 GLU A 26 -7.314 -2.037 -17.533 1.00 45.24 O ATOM 0 H GLU A 26 -2.345 1.491 -16.152 1.00 13.42 H new ATOM 0 HA GLU A 26 -4.377 0.974 -16.890 1.00 23.35 H new ATOM 0 HB2 GLU A 26 -3.213 -1.390 -16.135 1.00 63.42 H new ATOM 0 HB3 GLU A 26 -4.676 -1.440 -15.172 1.00 63.42 H new ATOM 0 HG2 GLU A 26 -5.306 -0.609 -17.879 1.00 24.44 H new ATOM 0 HG3 GLU A 26 -4.373 -2.093 -17.911 1.00 24.44 H new ATOM 410 N ASP A 27 -5.089 2.169 -14.393 1.00 51.42 N ATOM 411 CA ASP A 27 -6.047 2.725 -13.446 1.00 73.13 C ATOM 412 C ASP A 27 -6.602 4.053 -13.950 1.00 61.15 C ATOM 413 O ASP A 27 -7.815 4.265 -13.961 1.00 3.02 O ATOM 414 CB ASP A 27 -5.391 2.919 -12.078 1.00 22.22 C ATOM 415 CG ASP A 27 -5.455 1.670 -11.223 1.00 22.33 C ATOM 416 OD1 ASP A 27 -4.944 0.621 -11.665 1.00 63.03 O ATOM 417 OD2 ASP A 27 -6.018 1.741 -10.110 1.00 11.05 O ATOM 0 H ASP A 27 -4.290 2.772 -14.587 1.00 51.42 H new ATOM 0 HA ASP A 27 -6.873 2.021 -13.348 1.00 73.13 H new ATOM 0 HB2 ASP A 27 -4.349 3.208 -12.216 1.00 22.22 H new ATOM 0 HB3 ASP A 27 -5.883 3.739 -11.555 1.00 22.22 H new ATOM 422 N GLN A 28 -5.707 4.943 -14.367 1.00 21.43 N ATOM 423 CA GLN A 28 -6.109 6.251 -14.871 1.00 21.40 C ATOM 424 C GLN A 28 -5.135 6.748 -15.933 1.00 42.54 C ATOM 425 O GLN A 28 -3.934 6.482 -15.862 1.00 65.22 O ATOM 426 CB GLN A 28 -6.190 7.261 -13.724 1.00 45.40 C ATOM 427 CG GLN A 28 -4.864 7.482 -13.013 1.00 5.42 C ATOM 428 CD GLN A 28 -4.997 7.441 -11.504 1.00 61.03 C ATOM 429 OE1 GLN A 28 -4.575 8.364 -10.807 1.00 12.44 O ATOM 430 NE2 GLN A 28 -5.586 6.367 -10.990 1.00 61.44 N ATOM 0 H GLN A 28 -4.700 4.782 -14.366 1.00 21.43 H new ATOM 0 HA GLN A 28 -7.094 6.149 -15.326 1.00 21.40 H new ATOM 0 HB2 GLN A 28 -6.547 8.214 -14.115 1.00 45.40 H new ATOM 0 HB3 GLN A 28 -6.928 6.917 -13.000 1.00 45.40 H new ATOM 0 HG2 GLN A 28 -4.154 6.719 -13.332 1.00 5.42 H new ATOM 0 HG3 GLN A 28 -4.452 8.446 -13.312 1.00 5.42 H new ATOM 0 HE21 GLN A 28 -5.921 5.626 -11.605 1.00 61.44 H new ATOM 0 HE22 GLN A 28 -5.703 6.284 -9.980 1.00 61.44 H new ATOM 439 N PHE A 29 -5.658 7.470 -16.918 1.00 11.21 N ATOM 440 CA PHE A 29 -4.834 8.003 -17.997 1.00 32.30 C ATOM 441 C PHE A 29 -4.880 9.528 -18.014 1.00 34.14 C ATOM 442 O PHE A 29 -5.710 10.128 -18.696 1.00 55.35 O ATOM 443 CB PHE A 29 -5.304 7.453 -19.346 1.00 20.43 C ATOM 444 CG PHE A 29 -4.250 7.504 -20.414 1.00 21.34 C ATOM 445 CD1 PHE A 29 -2.987 6.983 -20.185 1.00 5.35 C ATOM 446 CD2 PHE A 29 -4.522 8.073 -21.647 1.00 71.02 C ATOM 447 CE1 PHE A 29 -2.014 7.028 -21.166 1.00 23.52 C ATOM 448 CE2 PHE A 29 -3.553 8.122 -22.633 1.00 73.41 C ATOM 449 CZ PHE A 29 -2.299 7.598 -22.392 1.00 11.22 C ATOM 0 H PHE A 29 -6.649 7.700 -16.992 1.00 11.21 H new ATOM 0 HA PHE A 29 -3.805 7.690 -17.823 1.00 32.30 H new ATOM 0 HB2 PHE A 29 -5.628 6.420 -19.215 1.00 20.43 H new ATOM 0 HB3 PHE A 29 -6.174 8.020 -19.678 1.00 20.43 H new ATOM 0 HD1 PHE A 29 -2.760 6.536 -19.228 1.00 5.35 H new ATOM 0 HD2 PHE A 29 -5.502 8.483 -21.841 1.00 71.02 H new ATOM 0 HE1 PHE A 29 -1.033 6.618 -20.975 1.00 23.52 H new ATOM 0 HE2 PHE A 29 -3.777 8.570 -23.590 1.00 73.41 H new ATOM 0 HZ PHE A 29 -1.541 7.633 -23.161 1.00 11.22 H new ATOM 459 N TYR A 30 -3.982 10.149 -17.256 1.00 41.32 N ATOM 460 CA TYR A 30 -3.920 11.604 -17.180 1.00 42.23 C ATOM 461 C TYR A 30 -3.070 12.173 -18.311 1.00 41.54 C ATOM 462 O TYR A 30 -2.329 11.444 -18.971 1.00 51.44 O ATOM 463 CB TYR A 30 -3.352 12.041 -15.830 1.00 11.53 C ATOM 464 CG TYR A 30 -4.412 12.356 -14.799 1.00 72.20 C ATOM 465 CD1 TYR A 30 -5.271 11.368 -14.333 1.00 15.52 C ATOM 466 CD2 TYR A 30 -4.557 13.642 -14.293 1.00 3.11 C ATOM 467 CE1 TYR A 30 -6.241 11.651 -13.392 1.00 14.22 C ATOM 468 CE2 TYR A 30 -5.524 13.934 -13.351 1.00 31.00 C ATOM 469 CZ TYR A 30 -6.364 12.935 -12.904 1.00 34.23 C ATOM 470 OH TYR A 30 -7.329 13.222 -11.966 1.00 11.21 O ATOM 0 H TYR A 30 -3.287 9.667 -16.686 1.00 41.32 H new ATOM 0 HA TYR A 30 -4.934 11.991 -17.282 1.00 42.23 H new ATOM 0 HB2 TYR A 30 -2.706 11.252 -15.445 1.00 11.53 H new ATOM 0 HB3 TYR A 30 -2.727 12.922 -15.977 1.00 11.53 H new ATOM 0 HD1 TYR A 30 -5.178 10.361 -14.713 1.00 15.52 H new ATOM 0 HD2 TYR A 30 -3.902 14.427 -14.642 1.00 3.11 H new ATOM 0 HE1 TYR A 30 -6.900 10.871 -13.040 1.00 14.22 H new ATOM 0 HE2 TYR A 30 -5.622 14.938 -12.967 1.00 31.00 H new ATOM 0 HH TYR A 30 -7.281 14.171 -11.727 1.00 11.21 H new ATOM 480 N GLU A 31 -3.182 13.479 -18.528 1.00 74.23 N ATOM 481 CA GLU A 31 -2.423 14.146 -19.580 1.00 34.32 C ATOM 482 C GLU A 31 -1.901 15.497 -19.100 1.00 53.30 C ATOM 483 O GLU A 31 -0.721 15.811 -19.258 1.00 54.41 O ATOM 484 CB GLU A 31 -3.292 14.337 -20.824 1.00 64.54 C ATOM 485 CG GLU A 31 -4.134 13.120 -21.171 1.00 62.01 C ATOM 486 CD GLU A 31 -3.292 11.920 -21.557 1.00 12.35 C ATOM 487 OE1 GLU A 31 -2.281 12.106 -22.267 1.00 64.01 O ATOM 488 OE2 GLU A 31 -3.642 10.793 -21.147 1.00 71.31 O ATOM 0 H GLU A 31 -3.790 14.096 -17.990 1.00 74.23 H new ATOM 0 HA GLU A 31 -1.571 13.515 -19.834 1.00 34.32 H new ATOM 0 HB2 GLU A 31 -3.950 15.192 -20.669 1.00 64.54 H new ATOM 0 HB3 GLU A 31 -2.650 14.578 -21.672 1.00 64.54 H new ATOM 0 HG2 GLU A 31 -4.760 12.860 -20.317 1.00 62.01 H new ATOM 0 HG3 GLU A 31 -4.804 13.369 -21.994 1.00 62.01 H new ATOM 495 N THR A 32 -2.788 16.294 -18.513 1.00 73.42 N ATOM 496 CA THR A 32 -2.418 17.611 -18.011 1.00 31.11 C ATOM 497 C THR A 32 -1.391 17.504 -16.889 1.00 71.32 C ATOM 498 O THR A 32 -0.622 18.434 -16.648 1.00 30.13 O ATOM 499 CB THR A 32 -3.648 18.382 -17.495 1.00 30.33 C ATOM 500 OG1 THR A 32 -4.155 17.757 -16.310 1.00 1.13 O ATOM 501 CG2 THR A 32 -4.739 18.433 -18.554 1.00 14.42 C ATOM 0 H THR A 32 -3.769 16.050 -18.374 1.00 73.42 H new ATOM 0 HA THR A 32 -1.982 18.157 -18.848 1.00 31.11 H new ATOM 0 HB THR A 32 -3.340 19.402 -17.265 1.00 30.33 H new ATOM 0 HG1 THR A 32 -4.936 18.253 -15.987 1.00 1.13 H new ATOM 0 HG21 THR A 32 -5.597 18.982 -18.166 1.00 14.42 H new ATOM 0 HG22 THR A 32 -4.359 18.935 -19.444 1.00 14.42 H new ATOM 0 HG23 THR A 32 -5.044 17.419 -18.811 1.00 14.42 H new ATOM 509 N ASP A 33 -1.385 16.364 -16.206 1.00 73.45 N ATOM 510 CA ASP A 33 -0.451 16.135 -15.110 1.00 40.03 C ATOM 511 C ASP A 33 0.520 15.009 -15.450 1.00 51.15 C ATOM 512 O ASP A 33 0.430 13.898 -14.927 1.00 62.22 O ATOM 513 CB ASP A 33 -1.211 15.799 -13.827 1.00 13.33 C ATOM 514 CG ASP A 33 -0.286 15.605 -12.641 1.00 62.41 C ATOM 515 OD1 ASP A 33 0.587 16.469 -12.422 1.00 52.23 O ATOM 516 OD2 ASP A 33 -0.437 14.587 -11.932 1.00 32.42 O ATOM 0 H ASP A 33 -2.016 15.585 -16.392 1.00 73.45 H new ATOM 0 HA ASP A 33 0.121 17.050 -14.956 1.00 40.03 H new ATOM 0 HB2 ASP A 33 -1.917 16.599 -13.606 1.00 13.33 H new ATOM 0 HB3 ASP A 33 -1.795 14.892 -13.981 1.00 13.33 H new ATOM 521 N PRO A 34 1.473 15.300 -16.349 1.00 72.14 N ATOM 522 CA PRO A 34 2.479 14.325 -16.781 1.00 24.13 C ATOM 523 C PRO A 34 3.481 14.000 -15.678 1.00 73.32 C ATOM 524 O PRO A 34 4.236 14.869 -15.238 1.00 5.44 O ATOM 525 CB PRO A 34 3.176 15.027 -17.947 1.00 40.34 C ATOM 526 CG PRO A 34 2.979 16.481 -17.688 1.00 34.54 C ATOM 527 CD PRO A 34 1.641 16.603 -17.014 1.00 24.31 C ATOM 0 HA PRO A 34 2.031 13.368 -17.049 1.00 24.13 H new ATOM 0 HB2 PRO A 34 4.235 14.772 -17.986 1.00 40.34 H new ATOM 0 HB3 PRO A 34 2.742 14.733 -18.903 1.00 40.34 H new ATOM 0 HG2 PRO A 34 3.773 16.876 -17.054 1.00 34.54 H new ATOM 0 HG3 PRO A 34 3.001 17.050 -18.618 1.00 34.54 H new ATOM 0 HD2 PRO A 34 1.625 17.424 -16.298 1.00 24.31 H new ATOM 0 HD3 PRO A 34 0.845 16.792 -17.734 1.00 24.31 H new ATOM 535 N ILE A 35 3.483 12.747 -15.237 1.00 12.24 N ATOM 536 CA ILE A 35 4.395 12.308 -14.187 1.00 72.54 C ATOM 537 C ILE A 35 4.792 10.849 -14.379 1.00 23.42 C ATOM 538 O ILE A 35 4.462 10.232 -15.392 1.00 31.22 O ATOM 539 CB ILE A 35 3.768 12.480 -12.790 1.00 42.41 C ATOM 540 CG1 ILE A 35 2.592 11.518 -12.614 1.00 63.51 C ATOM 541 CG2 ILE A 35 3.318 13.918 -12.584 1.00 61.33 C ATOM 542 CD1 ILE A 35 1.926 11.619 -11.260 1.00 70.23 C ATOM 0 H ILE A 35 2.864 12.018 -15.590 1.00 12.24 H new ATOM 0 HA ILE A 35 5.284 12.935 -14.257 1.00 72.54 H new ATOM 0 HB ILE A 35 4.522 12.245 -12.038 1.00 42.41 H new ATOM 0 HG12 ILE A 35 1.852 11.716 -13.389 1.00 63.51 H new ATOM 0 HG13 ILE A 35 2.943 10.497 -12.762 1.00 63.51 H new ATOM 0 HG21 ILE A 35 2.877 14.023 -11.593 1.00 61.33 H new ATOM 0 HG22 ILE A 35 4.176 14.584 -12.672 1.00 61.33 H new ATOM 0 HG23 ILE A 35 2.577 14.179 -13.340 1.00 61.33 H new ATOM 0 HD11 ILE A 35 1.101 10.908 -11.206 1.00 70.23 H new ATOM 0 HD12 ILE A 35 2.652 11.392 -10.479 1.00 70.23 H new ATOM 0 HD13 ILE A 35 1.544 12.630 -11.117 1.00 70.23 H new ATOM 554 N LEU A 36 5.501 10.301 -13.398 1.00 75.50 N ATOM 555 CA LEU A 36 5.943 8.913 -13.456 1.00 71.10 C ATOM 556 C LEU A 36 5.440 8.131 -12.247 1.00 3.43 C ATOM 557 O LEU A 36 4.515 7.325 -12.357 1.00 0.43 O ATOM 558 CB LEU A 36 7.470 8.845 -13.523 1.00 65.00 C ATOM 559 CG LEU A 36 8.077 8.757 -14.924 1.00 11.13 C ATOM 560 CD1 LEU A 36 8.442 10.142 -15.434 1.00 53.32 C ATOM 561 CD2 LEU A 36 9.297 7.849 -14.920 1.00 1.43 C ATOM 0 H LEU A 36 5.782 10.798 -12.553 1.00 75.50 H new ATOM 0 HA LEU A 36 5.526 8.462 -14.357 1.00 71.10 H new ATOM 0 HB2 LEU A 36 7.875 9.728 -13.028 1.00 65.00 H new ATOM 0 HB3 LEU A 36 7.801 7.978 -12.950 1.00 65.00 H new ATOM 0 HG LEU A 36 7.333 8.329 -15.596 1.00 11.13 H new ATOM 0 HD11 LEU A 36 8.873 10.060 -16.432 1.00 53.32 H new ATOM 0 HD12 LEU A 36 7.547 10.762 -15.475 1.00 53.32 H new ATOM 0 HD13 LEU A 36 9.169 10.598 -14.761 1.00 53.32 H new ATOM 0 HD21 LEU A 36 9.716 7.798 -15.925 1.00 1.43 H new ATOM 0 HD22 LEU A 36 10.045 8.248 -14.235 1.00 1.43 H new ATOM 0 HD23 LEU A 36 9.006 6.849 -14.597 1.00 1.43 H new ATOM 573 N ARG A 37 6.054 8.373 -11.094 1.00 53.33 N ATOM 574 CA ARG A 37 5.668 7.693 -9.864 1.00 24.00 C ATOM 575 C ARG A 37 5.054 8.673 -8.869 1.00 72.21 C ATOM 576 O ARG A 37 4.261 8.288 -8.011 1.00 43.44 O ATOM 577 CB ARG A 37 6.880 7.004 -9.235 1.00 14.43 C ATOM 578 CG ARG A 37 7.953 7.973 -8.761 1.00 3.54 C ATOM 579 CD ARG A 37 9.243 7.247 -8.412 1.00 21.32 C ATOM 580 NE ARG A 37 10.263 7.418 -9.442 1.00 53.03 N ATOM 581 CZ ARG A 37 11.538 7.080 -9.278 1.00 63.42 C ATOM 582 NH1 ARG A 37 11.945 6.555 -8.131 1.00 24.04 N ATOM 583 NH2 ARG A 37 12.407 7.266 -10.264 1.00 34.14 N ATOM 0 H ARG A 37 6.822 9.036 -10.986 1.00 53.33 H new ATOM 0 HA ARG A 37 4.920 6.941 -10.115 1.00 24.00 H new ATOM 0 HB2 ARG A 37 6.547 6.402 -8.390 1.00 14.43 H new ATOM 0 HB3 ARG A 37 7.316 6.319 -9.962 1.00 14.43 H new ATOM 0 HG2 ARG A 37 8.148 8.711 -9.539 1.00 3.54 H new ATOM 0 HG3 ARG A 37 7.593 8.518 -7.888 1.00 3.54 H new ATOM 0 HD2 ARG A 37 9.623 7.620 -7.461 1.00 21.32 H new ATOM 0 HD3 ARG A 37 9.037 6.185 -8.279 1.00 21.32 H new ATOM 0 HE ARG A 37 9.982 7.819 -10.337 1.00 53.03 H new ATOM 0 HH11 ARG A 37 11.279 6.410 -7.372 1.00 24.04 H new ATOM 0 HH12 ARG A 37 12.924 6.296 -8.007 1.00 24.04 H new ATOM 0 HH21 ARG A 37 12.097 7.669 -11.148 1.00 34.14 H new ATOM 0 HH22 ARG A 37 13.385 7.006 -10.137 1.00 34.14 H new ATOM 597 N GLY A 38 5.426 9.944 -8.991 1.00 43.33 N ATOM 598 CA GLY A 38 4.903 10.959 -8.097 1.00 22.01 C ATOM 599 C GLY A 38 5.334 12.358 -8.491 1.00 3.34 C ATOM 600 O GLY A 38 4.580 13.317 -8.329 1.00 13.31 O ATOM 0 H GLY A 38 6.081 10.288 -9.694 1.00 43.33 H new ATOM 0 HA2 GLY A 38 3.814 10.906 -8.090 1.00 22.01 H new ATOM 0 HA3 GLY A 38 5.239 10.752 -7.081 1.00 22.01 H new ATOM 604 N GLY A 39 6.554 12.475 -9.010 1.00 64.53 N ATOM 605 CA GLY A 39 7.063 13.770 -9.419 1.00 34.24 C ATOM 606 C GLY A 39 8.577 13.839 -9.372 1.00 33.13 C ATOM 607 O GLY A 39 9.237 13.855 -10.410 1.00 72.02 O ATOM 0 H GLY A 39 7.197 11.696 -9.154 1.00 64.53 H new ATOM 0 HA2 GLY A 39 6.724 13.987 -10.432 1.00 34.24 H new ATOM 0 HA3 GLY A 39 6.647 14.542 -8.771 1.00 34.24 H new ATOM 611 N ASP A 40 9.128 13.880 -8.163 1.00 64.31 N ATOM 612 CA ASP A 40 10.573 13.948 -7.984 1.00 2.45 C ATOM 613 C ASP A 40 10.990 13.284 -6.674 1.00 14.21 C ATOM 614 O ASP A 40 10.907 13.890 -5.606 1.00 30.41 O ATOM 615 CB ASP A 40 11.044 15.402 -8.006 1.00 52.21 C ATOM 616 CG ASP A 40 12.077 15.660 -9.085 1.00 50.13 C ATOM 617 OD1 ASP A 40 11.682 15.814 -10.260 1.00 53.12 O ATOM 618 OD2 ASP A 40 13.280 15.709 -8.755 1.00 24.12 O ATOM 0 H ASP A 40 8.595 13.867 -7.293 1.00 64.31 H new ATOM 0 HA ASP A 40 11.042 13.411 -8.808 1.00 2.45 H new ATOM 0 HB2 ASP A 40 10.187 16.056 -8.164 1.00 52.21 H new ATOM 0 HB3 ASP A 40 11.466 15.659 -7.034 1.00 52.21 H new ATOM 623 N VAL A 41 11.438 12.036 -6.765 1.00 44.15 N ATOM 624 CA VAL A 41 11.868 11.291 -5.588 1.00 33.13 C ATOM 625 C VAL A 41 13.152 11.872 -5.008 1.00 13.22 C ATOM 626 O VAL A 41 13.398 11.786 -3.804 1.00 45.34 O ATOM 627 CB VAL A 41 12.093 9.803 -5.918 1.00 11.43 C ATOM 628 CG1 VAL A 41 13.091 9.654 -7.057 1.00 23.21 C ATOM 629 CG2 VAL A 41 12.567 9.051 -4.682 1.00 44.45 C ATOM 0 H VAL A 41 11.513 11.520 -7.642 1.00 44.15 H new ATOM 0 HA VAL A 41 11.070 11.376 -4.850 1.00 33.13 H new ATOM 0 HB VAL A 41 11.145 9.371 -6.238 1.00 11.43 H new ATOM 0 HG11 VAL A 41 13.238 8.596 -7.276 1.00 23.21 H new ATOM 0 HG12 VAL A 41 12.709 10.159 -7.944 1.00 23.21 H new ATOM 0 HG13 VAL A 41 14.043 10.100 -6.768 1.00 23.21 H new ATOM 0 HG21 VAL A 41 12.721 8.001 -4.932 1.00 44.45 H new ATOM 0 HG22 VAL A 41 13.505 9.482 -4.331 1.00 44.45 H new ATOM 0 HG23 VAL A 41 11.815 9.130 -3.897 1.00 44.45 H new ATOM 639 N LYS A 42 13.970 12.466 -5.871 1.00 65.41 N ATOM 640 CA LYS A 42 15.228 13.065 -5.446 1.00 12.32 C ATOM 641 C LYS A 42 16.126 12.028 -4.778 1.00 51.01 C ATOM 642 O LYS A 42 16.114 11.878 -3.556 1.00 45.25 O ATOM 643 CB LYS A 42 14.966 14.224 -4.482 1.00 1.31 C ATOM 644 CG LYS A 42 16.057 15.282 -4.492 1.00 25.42 C ATOM 645 CD LYS A 42 16.434 15.707 -3.083 1.00 24.51 C ATOM 646 CE LYS A 42 17.725 15.043 -2.628 1.00 21.31 C ATOM 647 NZ LYS A 42 18.181 15.564 -1.309 1.00 44.32 N ATOM 0 H LYS A 42 13.783 12.545 -6.871 1.00 65.41 H new ATOM 0 HA LYS A 42 15.737 13.445 -6.332 1.00 12.32 H new ATOM 0 HB2 LYS A 42 14.016 14.692 -4.739 1.00 1.31 H new ATOM 0 HB3 LYS A 42 14.864 13.829 -3.471 1.00 1.31 H new ATOM 0 HG2 LYS A 42 16.937 14.893 -5.004 1.00 25.42 H new ATOM 0 HG3 LYS A 42 15.718 16.151 -5.057 1.00 25.42 H new ATOM 0 HD2 LYS A 42 16.548 16.790 -3.047 1.00 24.51 H new ATOM 0 HD3 LYS A 42 15.628 15.448 -2.396 1.00 24.51 H new ATOM 0 HE2 LYS A 42 17.575 13.965 -2.561 1.00 21.31 H new ATOM 0 HE3 LYS A 42 18.502 15.211 -3.373 1.00 21.31 H new ATOM 0 HZ1 LYS A 42 19.063 15.087 -1.034 1.00 44.32 H new ATOM 0 HZ2 LYS A 42 18.348 16.588 -1.379 1.00 44.32 H new ATOM 0 HZ3 LYS A 42 17.450 15.381 -0.592 1.00 44.32 H new ATOM 661 N SER A 43 16.904 11.316 -5.587 1.00 23.21 N ATOM 662 CA SER A 43 17.806 10.291 -5.075 1.00 31.35 C ATOM 663 C SER A 43 19.179 10.881 -4.767 1.00 63.13 C ATOM 664 O SER A 43 19.726 11.651 -5.555 1.00 54.25 O ATOM 665 CB SER A 43 17.943 9.150 -6.084 1.00 22.11 C ATOM 666 OG SER A 43 18.093 9.650 -7.401 1.00 45.15 O ATOM 0 H SER A 43 16.928 11.430 -6.600 1.00 23.21 H new ATOM 0 HA SER A 43 17.382 9.899 -4.151 1.00 31.35 H new ATOM 0 HB2 SER A 43 18.804 8.533 -5.826 1.00 22.11 H new ATOM 0 HB3 SER A 43 17.064 8.508 -6.033 1.00 22.11 H new ATOM 0 HG SER A 43 18.180 8.901 -8.027 1.00 45.15 H new ATOM 672 N SER A 44 19.730 10.513 -3.615 1.00 24.22 N ATOM 673 CA SER A 44 21.038 11.007 -3.199 1.00 64.12 C ATOM 674 C SER A 44 22.155 10.201 -3.853 1.00 20.12 C ATOM 675 O SER A 44 23.261 10.700 -4.053 1.00 15.34 O ATOM 676 CB SER A 44 21.170 10.944 -1.677 1.00 34.22 C ATOM 677 OG SER A 44 20.685 12.131 -1.074 1.00 33.24 O ATOM 0 H SER A 44 19.291 9.874 -2.952 1.00 24.22 H new ATOM 0 HA SER A 44 21.127 12.045 -3.520 1.00 64.12 H new ATOM 0 HB2 SER A 44 20.616 10.086 -1.296 1.00 34.22 H new ATOM 0 HB3 SER A 44 22.215 10.795 -1.405 1.00 34.22 H new ATOM 0 HG SER A 44 20.779 12.065 -0.101 1.00 33.24 H new ATOM 683 N GLY A 45 21.857 8.947 -4.182 1.00 15.40 N ATOM 684 CA GLY A 45 22.847 8.090 -4.809 1.00 74.15 C ATOM 685 C GLY A 45 22.970 6.746 -4.120 1.00 21.33 C ATOM 686 O GLY A 45 22.724 6.633 -2.919 1.00 1.35 O ATOM 0 H GLY A 45 20.949 8.510 -4.026 1.00 15.40 H new ATOM 0 HA2 GLY A 45 22.580 7.936 -5.854 1.00 74.15 H new ATOM 0 HA3 GLY A 45 23.815 8.590 -4.798 1.00 74.15 H new ATOM 690 N SER A 46 23.351 5.725 -4.880 1.00 64.31 N ATOM 691 CA SER A 46 23.501 4.381 -4.336 1.00 24.11 C ATOM 692 C SER A 46 24.915 3.856 -4.564 1.00 33.22 C ATOM 693 O SER A 46 25.599 3.452 -3.623 1.00 13.33 O ATOM 694 CB SER A 46 22.484 3.432 -4.975 1.00 71.14 C ATOM 695 OG SER A 46 22.398 2.215 -4.253 1.00 50.25 O ATOM 0 H SER A 46 23.562 5.803 -5.875 1.00 64.31 H new ATOM 0 HA SER A 46 23.319 4.429 -3.262 1.00 24.11 H new ATOM 0 HB2 SER A 46 21.505 3.910 -5.006 1.00 71.14 H new ATOM 0 HB3 SER A 46 22.771 3.227 -6.006 1.00 71.14 H new ATOM 0 HG SER A 46 21.741 1.627 -4.680 1.00 50.25 H new ATOM 701 N THR A 47 25.349 3.867 -5.821 1.00 21.42 N ATOM 702 CA THR A 47 26.679 3.393 -6.174 1.00 14.44 C ATOM 703 C THR A 47 26.837 1.909 -5.860 1.00 21.50 C ATOM 704 O THR A 47 26.005 1.320 -5.169 1.00 12.14 O ATOM 705 CB THR A 47 27.773 4.181 -5.429 1.00 15.14 C ATOM 706 OG1 THR A 47 27.276 5.469 -5.051 1.00 72.50 O ATOM 707 CG2 THR A 47 29.010 4.345 -6.299 1.00 75.03 C ATOM 0 H THR A 47 24.797 4.200 -6.611 1.00 21.42 H new ATOM 0 HA THR A 47 26.794 3.549 -7.247 1.00 14.44 H new ATOM 0 HB THR A 47 28.049 3.621 -4.535 1.00 15.14 H new ATOM 0 HG1 THR A 47 27.976 5.964 -4.576 1.00 72.50 H new ATOM 0 HG21 THR A 47 29.768 4.905 -5.751 1.00 75.03 H new ATOM 0 HG22 THR A 47 29.403 3.363 -6.562 1.00 75.03 H new ATOM 0 HG23 THR A 47 28.746 4.885 -7.208 1.00 75.03 H new ATOM 715 N SER A 48 27.908 1.310 -6.372 1.00 64.52 N ATOM 716 CA SER A 48 28.171 -0.106 -6.148 1.00 4.05 C ATOM 717 C SER A 48 29.576 -0.316 -5.591 1.00 32.23 C ATOM 718 O SER A 48 30.367 0.622 -5.502 1.00 31.43 O ATOM 719 CB SER A 48 28.005 -0.889 -7.452 1.00 4.21 C ATOM 720 OG SER A 48 29.174 -0.808 -8.248 1.00 71.14 O ATOM 0 H SER A 48 28.607 1.784 -6.944 1.00 64.52 H new ATOM 0 HA SER A 48 27.451 -0.473 -5.417 1.00 4.05 H new ATOM 0 HB2 SER A 48 27.786 -1.933 -7.228 1.00 4.21 H new ATOM 0 HB3 SER A 48 27.154 -0.497 -8.009 1.00 4.21 H new ATOM 0 HG SER A 48 29.043 -1.318 -9.075 1.00 71.14 H new ATOM 726 N GLY A 49 29.879 -1.556 -5.217 1.00 73.13 N ATOM 727 CA GLY A 49 31.187 -1.867 -4.673 1.00 0.33 C ATOM 728 C GLY A 49 31.603 -3.299 -4.947 1.00 32.33 C ATOM 729 O GLY A 49 30.932 -4.241 -4.524 1.00 61.21 O ATOM 0 H GLY A 49 29.242 -2.350 -5.281 1.00 73.13 H new ATOM 0 HA2 GLY A 49 31.926 -1.189 -5.101 1.00 0.33 H new ATOM 0 HA3 GLY A 49 31.180 -1.693 -3.597 1.00 0.33 H new ATOM 733 N LYS A 50 32.713 -3.465 -5.658 1.00 11.42 N ATOM 734 CA LYS A 50 33.218 -4.793 -5.989 1.00 52.43 C ATOM 735 C LYS A 50 34.451 -5.129 -5.156 1.00 42.12 C ATOM 736 O LYS A 50 34.721 -6.296 -4.872 1.00 14.53 O ATOM 737 CB LYS A 50 33.559 -4.874 -7.479 1.00 52.25 C ATOM 738 CG LYS A 50 33.622 -6.295 -8.012 1.00 51.42 C ATOM 739 CD LYS A 50 33.405 -6.337 -9.516 1.00 21.24 C ATOM 740 CE LYS A 50 34.228 -7.437 -10.167 1.00 13.43 C ATOM 741 NZ LYS A 50 33.664 -7.847 -11.483 1.00 11.42 N ATOM 0 H LYS A 50 33.280 -2.697 -6.016 1.00 11.42 H new ATOM 0 HA LYS A 50 32.438 -5.519 -5.761 1.00 52.43 H new ATOM 0 HB2 LYS A 50 32.813 -4.315 -8.045 1.00 52.25 H new ATOM 0 HB3 LYS A 50 34.519 -4.388 -7.650 1.00 52.25 H new ATOM 0 HG2 LYS A 50 34.591 -6.732 -7.771 1.00 51.42 H new ATOM 0 HG3 LYS A 50 32.865 -6.904 -7.517 1.00 51.42 H new ATOM 0 HD2 LYS A 50 32.348 -6.498 -9.728 1.00 21.24 H new ATOM 0 HD3 LYS A 50 33.674 -5.374 -9.951 1.00 21.24 H new ATOM 0 HE2 LYS A 50 35.253 -7.092 -10.303 1.00 13.43 H new ATOM 0 HE3 LYS A 50 34.268 -8.301 -9.504 1.00 13.43 H new ATOM 0 HZ1 LYS A 50 34.253 -8.599 -11.894 1.00 11.42 H new ATOM 0 HZ2 LYS A 50 32.695 -8.200 -11.350 1.00 11.42 H new ATOM 0 HZ3 LYS A 50 33.649 -7.029 -12.125 1.00 11.42 H new ATOM 755 N LYS A 51 35.195 -4.099 -4.766 1.00 24.13 N ATOM 756 CA LYS A 51 36.397 -4.286 -3.962 1.00 71.51 C ATOM 757 C LYS A 51 37.434 -5.110 -4.717 1.00 12.32 C ATOM 758 O LYS A 51 37.132 -5.712 -5.746 1.00 2.32 O ATOM 759 CB LYS A 51 36.050 -4.970 -2.638 1.00 22.10 C ATOM 760 CG LYS A 51 35.990 -4.017 -1.457 1.00 50.41 C ATOM 761 CD LYS A 51 35.828 -4.765 -0.144 1.00 40.44 C ATOM 762 CE LYS A 51 35.213 -3.880 0.929 1.00 12.43 C ATOM 763 NZ LYS A 51 33.910 -4.416 1.411 1.00 2.25 N ATOM 0 H LYS A 51 34.987 -3.127 -4.994 1.00 24.13 H new ATOM 0 HA LYS A 51 36.821 -3.304 -3.755 1.00 71.51 H new ATOM 0 HB2 LYS A 51 35.087 -5.471 -2.739 1.00 22.10 H new ATOM 0 HB3 LYS A 51 36.791 -5.743 -2.433 1.00 22.10 H new ATOM 0 HG2 LYS A 51 36.900 -3.418 -1.425 1.00 50.41 H new ATOM 0 HG3 LYS A 51 35.157 -3.326 -1.588 1.00 50.41 H new ATOM 0 HD2 LYS A 51 35.199 -5.642 -0.299 1.00 40.44 H new ATOM 0 HD3 LYS A 51 36.800 -5.125 0.193 1.00 40.44 H new ATOM 0 HE2 LYS A 51 35.903 -3.794 1.768 1.00 12.43 H new ATOM 0 HE3 LYS A 51 35.068 -2.875 0.532 1.00 12.43 H new ATOM 0 HZ1 LYS A 51 33.524 -3.784 2.141 1.00 2.25 H new ATOM 0 HZ2 LYS A 51 33.243 -4.474 0.615 1.00 2.25 H new ATOM 0 HZ3 LYS A 51 34.052 -5.364 1.814 1.00 2.25 H new ATOM 777 N GLY A 52 38.658 -5.134 -4.198 1.00 63.31 N ATOM 778 CA GLY A 52 39.720 -5.889 -4.835 1.00 2.32 C ATOM 779 C GLY A 52 40.086 -7.141 -4.063 1.00 14.15 C ATOM 780 O GLY A 52 40.209 -8.221 -4.639 1.00 30.20 O ATOM 0 H GLY A 52 38.933 -4.643 -3.347 1.00 63.31 H new ATOM 0 HA2 GLY A 52 39.411 -6.165 -5.843 1.00 2.32 H new ATOM 0 HA3 GLY A 52 40.602 -5.256 -4.934 1.00 2.32 H new ATOM 784 N GLY A 53 40.263 -6.995 -2.752 1.00 44.22 N ATOM 785 CA GLY A 53 40.617 -8.130 -1.921 1.00 2.50 C ATOM 786 C GLY A 53 42.097 -8.173 -1.599 1.00 1.24 C ATOM 787 O GLY A 53 42.824 -7.212 -1.851 1.00 54.14 O ATOM 0 H GLY A 53 40.167 -6.111 -2.252 1.00 44.22 H new ATOM 0 HA2 GLY A 53 40.047 -8.088 -0.993 1.00 2.50 H new ATOM 0 HA3 GLY A 53 40.332 -9.051 -2.429 1.00 2.50 H new ATOM 791 N THR A 54 42.548 -9.291 -1.037 1.00 2.03 N ATOM 792 CA THR A 54 43.950 -9.454 -0.676 1.00 44.24 C ATOM 793 C THR A 54 44.443 -8.280 0.161 1.00 72.41 C ATOM 794 O THR A 54 43.656 -7.435 0.590 1.00 44.14 O ATOM 795 CB THR A 54 44.840 -9.588 -1.927 1.00 24.54 C ATOM 796 OG1 THR A 54 45.058 -8.300 -2.512 1.00 14.31 O ATOM 797 CG2 THR A 54 44.199 -10.514 -2.950 1.00 52.30 C ATOM 0 H THR A 54 41.961 -10.097 -0.822 1.00 2.03 H new ATOM 0 HA THR A 54 44.021 -10.370 -0.089 1.00 44.24 H new ATOM 0 HB THR A 54 45.796 -10.015 -1.623 1.00 24.54 H new ATOM 0 HG1 THR A 54 44.195 -7.875 -2.699 1.00 14.31 H new ATOM 0 HG21 THR A 54 44.845 -10.593 -3.824 1.00 52.30 H new ATOM 0 HG22 THR A 54 44.061 -11.502 -2.510 1.00 52.30 H new ATOM 0 HG23 THR A 54 43.231 -10.111 -3.249 1.00 52.30 H new ATOM 805 N THR A 55 45.752 -8.231 0.391 1.00 71.53 N ATOM 806 CA THR A 55 46.350 -7.159 1.178 1.00 43.42 C ATOM 807 C THR A 55 47.821 -6.972 0.824 1.00 62.11 C ATOM 808 O THR A 55 48.234 -5.895 0.395 1.00 31.13 O ATOM 809 CB THR A 55 46.228 -7.436 2.688 1.00 33.21 C ATOM 810 OG1 THR A 55 44.935 -7.975 2.985 1.00 42.24 O ATOM 811 CG2 THR A 55 46.448 -6.163 3.491 1.00 62.14 C ATOM 0 H THR A 55 46.418 -8.921 0.043 1.00 71.53 H new ATOM 0 HA THR A 55 45.803 -6.247 0.938 1.00 43.42 H new ATOM 0 HB THR A 55 46.995 -8.159 2.965 1.00 33.21 H new ATOM 0 HG1 THR A 55 44.866 -8.150 3.947 1.00 42.24 H new ATOM 0 HG21 THR A 55 46.357 -6.383 4.555 1.00 62.14 H new ATOM 0 HG22 THR A 55 47.444 -5.771 3.286 1.00 62.14 H new ATOM 0 HG23 THR A 55 45.701 -5.421 3.209 1.00 62.14 H new ATOM 819 N SER A 56 48.607 -8.029 1.005 1.00 21.40 N ATOM 820 CA SER A 56 50.034 -7.979 0.707 1.00 24.14 C ATOM 821 C SER A 56 50.719 -6.882 1.516 1.00 73.03 C ATOM 822 O SER A 56 51.679 -6.264 1.055 1.00 22.53 O ATOM 823 CB SER A 56 50.256 -7.743 -0.787 1.00 42.34 C ATOM 824 OG SER A 56 51.306 -8.558 -1.281 1.00 54.04 O ATOM 0 H SER A 56 48.280 -8.929 1.356 1.00 21.40 H new ATOM 0 HA SER A 56 50.473 -8.938 0.984 1.00 24.14 H new ATOM 0 HB2 SER A 56 49.337 -7.957 -1.333 1.00 42.34 H new ATOM 0 HB3 SER A 56 50.493 -6.693 -0.962 1.00 42.34 H new ATOM 0 HG SER A 56 51.428 -8.390 -2.239 1.00 54.04 H new ATOM 830 N GLY A 57 50.219 -6.645 2.724 1.00 10.02 N ATOM 831 CA GLY A 57 50.796 -5.622 3.578 1.00 63.13 C ATOM 832 C GLY A 57 52.088 -6.071 4.229 1.00 13.21 C ATOM 833 O GLY A 57 52.986 -5.262 4.468 1.00 51.04 O ATOM 0 H GLY A 57 49.425 -7.142 3.127 1.00 10.02 H new ATOM 0 HA2 GLY A 57 50.983 -4.724 2.989 1.00 63.13 H new ATOM 0 HA3 GLY A 57 50.078 -5.352 4.352 1.00 63.13 H new ATOM 837 N LYS A 58 52.185 -7.364 4.520 1.00 12.33 N ATOM 838 CA LYS A 58 53.378 -7.920 5.147 1.00 34.54 C ATOM 839 C LYS A 58 53.748 -9.260 4.521 1.00 71.02 C ATOM 840 O LYS A 58 53.017 -9.789 3.684 1.00 44.21 O ATOM 841 CB LYS A 58 53.153 -8.093 6.652 1.00 11.44 C ATOM 842 CG LYS A 58 51.898 -8.878 6.993 1.00 71.32 C ATOM 843 CD LYS A 58 52.190 -9.998 7.977 1.00 63.32 C ATOM 844 CE LYS A 58 52.332 -11.337 7.271 1.00 32.35 C ATOM 845 NZ LYS A 58 51.241 -12.279 7.644 1.00 24.05 N ATOM 0 H LYS A 58 51.451 -8.047 4.331 1.00 12.33 H new ATOM 0 HA LYS A 58 54.201 -7.224 4.985 1.00 34.54 H new ATOM 0 HB2 LYS A 58 54.016 -8.599 7.084 1.00 11.44 H new ATOM 0 HB3 LYS A 58 53.094 -7.109 7.118 1.00 11.44 H new ATOM 0 HG2 LYS A 58 51.152 -8.206 7.416 1.00 71.32 H new ATOM 0 HG3 LYS A 58 51.470 -9.296 6.082 1.00 71.32 H new ATOM 0 HD2 LYS A 58 53.107 -9.774 8.523 1.00 63.32 H new ATOM 0 HD3 LYS A 58 51.387 -10.056 8.712 1.00 63.32 H new ATOM 0 HE2 LYS A 58 52.324 -11.181 6.192 1.00 32.35 H new ATOM 0 HE3 LYS A 58 53.296 -11.780 7.522 1.00 32.35 H new ATOM 0 HZ1 LYS A 58 51.374 -13.180 7.142 1.00 24.05 H new ATOM 0 HZ2 LYS A 58 51.264 -12.448 8.670 1.00 24.05 H new ATOM 0 HZ3 LYS A 58 50.323 -11.868 7.381 1.00 24.05 H new ATOM 859 N LYS A 59 54.889 -9.805 4.930 1.00 33.15 N ATOM 860 CA LYS A 59 55.356 -11.085 4.412 1.00 54.13 C ATOM 861 C LYS A 59 55.651 -12.058 5.549 1.00 44.44 C ATOM 862 O LYS A 59 55.015 -13.105 5.662 1.00 34.44 O ATOM 863 CB LYS A 59 56.611 -10.885 3.558 1.00 32.42 C ATOM 864 CG LYS A 59 56.479 -9.773 2.532 1.00 23.52 C ATOM 865 CD LYS A 59 57.802 -9.489 1.843 1.00 52.35 C ATOM 866 CE LYS A 59 58.525 -8.314 2.485 1.00 43.24 C ATOM 867 NZ LYS A 59 58.119 -7.016 1.878 1.00 52.54 N ATOM 0 H LYS A 59 55.508 -9.379 5.620 1.00 33.15 H new ATOM 0 HA LYS A 59 54.565 -11.508 3.792 1.00 54.13 H new ATOM 0 HB2 LYS A 59 57.454 -10.665 4.213 1.00 32.42 H new ATOM 0 HB3 LYS A 59 56.842 -11.817 3.043 1.00 32.42 H new ATOM 0 HG2 LYS A 59 55.733 -10.050 1.788 1.00 23.52 H new ATOM 0 HG3 LYS A 59 56.121 -8.867 3.021 1.00 23.52 H new ATOM 0 HD2 LYS A 59 58.435 -10.375 1.889 1.00 52.35 H new ATOM 0 HD3 LYS A 59 57.626 -9.277 0.788 1.00 52.35 H new ATOM 0 HE2 LYS A 59 58.313 -8.297 3.554 1.00 43.24 H new ATOM 0 HE3 LYS A 59 59.601 -8.446 2.375 1.00 43.24 H new ATOM 0 HZ1 LYS A 59 58.633 -6.240 2.342 1.00 52.54 H new ATOM 0 HZ2 LYS A 59 58.344 -7.022 0.863 1.00 52.54 H new ATOM 0 HZ3 LYS A 59 57.096 -6.878 2.005 1.00 52.54 H new ATOM 881 N GLY A 60 56.619 -11.705 6.388 1.00 70.31 N ATOM 882 CA GLY A 60 56.980 -12.557 7.506 1.00 70.44 C ATOM 883 C GLY A 60 58.480 -12.673 7.686 1.00 53.54 C ATOM 884 O GLY A 60 58.959 -13.044 8.759 1.00 64.53 O ATOM 0 H GLY A 60 57.160 -10.844 6.314 1.00 70.31 H new ATOM 0 HA2 GLY A 60 56.537 -12.160 8.419 1.00 70.44 H new ATOM 0 HA3 GLY A 60 56.558 -13.550 7.353 1.00 70.44 H new ATOM 888 N THR A 61 59.228 -12.357 6.632 1.00 62.00 N ATOM 889 CA THR A 61 60.682 -12.431 6.678 1.00 54.11 C ATOM 890 C THR A 61 61.311 -11.079 6.361 1.00 15.03 C ATOM 891 O THR A 61 62.414 -11.007 5.820 1.00 51.43 O ATOM 892 CB THR A 61 61.223 -13.480 5.687 1.00 34.24 C ATOM 893 OG1 THR A 61 62.635 -13.638 5.866 1.00 44.44 O ATOM 894 CG2 THR A 61 60.930 -13.070 4.252 1.00 12.42 C ATOM 0 H THR A 61 58.850 -12.048 5.737 1.00 62.00 H new ATOM 0 HA THR A 61 60.952 -12.726 7.692 1.00 54.11 H new ATOM 0 HB THR A 61 60.724 -14.428 5.885 1.00 34.24 H new ATOM 0 HG1 THR A 61 63.058 -12.756 5.928 1.00 44.44 H new ATOM 0 HG21 THR A 61 61.321 -13.826 3.571 1.00 12.42 H new ATOM 0 HG22 THR A 61 59.853 -12.978 4.113 1.00 12.42 H new ATOM 0 HG23 THR A 61 61.406 -12.112 4.043 1.00 12.42 H new ATOM 902 N VAL A 62 60.604 -10.007 6.705 1.00 73.43 N ATOM 903 CA VAL A 62 61.093 -8.656 6.459 1.00 74.15 C ATOM 904 C VAL A 62 61.347 -7.917 7.768 1.00 11.23 C ATOM 905 O VAL A 62 62.201 -7.034 7.839 1.00 55.45 O ATOM 906 CB VAL A 62 60.099 -7.844 5.608 1.00 41.20 C ATOM 907 CG1 VAL A 62 58.757 -7.734 6.316 1.00 63.34 C ATOM 908 CG2 VAL A 62 60.663 -6.466 5.299 1.00 21.32 C ATOM 0 H VAL A 62 59.690 -10.049 7.155 1.00 73.43 H new ATOM 0 HA VAL A 62 62.031 -8.754 5.912 1.00 74.15 H new ATOM 0 HB VAL A 62 59.944 -8.367 4.664 1.00 41.20 H new ATOM 0 HG11 VAL A 62 58.067 -7.157 5.700 1.00 63.34 H new ATOM 0 HG12 VAL A 62 58.349 -8.732 6.480 1.00 63.34 H new ATOM 0 HG13 VAL A 62 58.892 -7.235 7.275 1.00 63.34 H new ATOM 0 HG21 VAL A 62 59.947 -5.906 4.697 1.00 21.32 H new ATOM 0 HG22 VAL A 62 60.849 -5.932 6.231 1.00 21.32 H new ATOM 0 HG23 VAL A 62 61.597 -6.571 4.748 1.00 21.32 H new ATOM 918 N SER A 63 60.599 -8.284 8.803 1.00 3.12 N ATOM 919 CA SER A 63 60.740 -7.654 10.110 1.00 74.00 C ATOM 920 C SER A 63 60.629 -8.688 11.227 1.00 52.14 C ATOM 921 O SER A 63 59.651 -8.706 11.975 1.00 70.01 O ATOM 922 CB SER A 63 59.677 -6.569 10.295 1.00 3.14 C ATOM 923 OG SER A 63 59.843 -5.527 9.350 1.00 21.44 O ATOM 0 H SER A 63 59.889 -9.015 8.762 1.00 3.12 H new ATOM 0 HA SER A 63 61.728 -7.196 10.160 1.00 74.00 H new ATOM 0 HB2 SER A 63 58.684 -7.006 10.188 1.00 3.14 H new ATOM 0 HB3 SER A 63 59.740 -6.162 11.304 1.00 3.14 H new ATOM 0 HG SER A 63 59.151 -4.847 9.488 1.00 21.44 H new ATOM 929 N ILE A 64 61.637 -9.546 11.333 1.00 1.32 N ATOM 930 CA ILE A 64 61.653 -10.582 12.358 1.00 54.40 C ATOM 931 C ILE A 64 63.075 -10.865 12.832 1.00 2.20 C ATOM 932 O ILE A 64 64.055 -10.570 12.146 1.00 22.32 O ATOM 933 CB ILE A 64 61.025 -11.891 11.846 1.00 54.42 C ATOM 934 CG1 ILE A 64 61.310 -12.069 10.353 1.00 53.33 C ATOM 935 CG2 ILE A 64 59.527 -11.898 12.109 1.00 22.23 C ATOM 936 CD1 ILE A 64 62.784 -12.060 10.013 1.00 35.12 C ATOM 0 H ILE A 64 62.454 -9.545 10.722 1.00 1.32 H new ATOM 0 HA ILE A 64 61.062 -10.208 13.194 1.00 54.40 H new ATOM 0 HB ILE A 64 61.473 -12.726 12.384 1.00 54.42 H new ATOM 0 HG12 ILE A 64 60.874 -13.010 10.018 1.00 53.33 H new ATOM 0 HG13 ILE A 64 60.813 -11.273 9.799 1.00 53.33 H new ATOM 0 HG21 ILE A 64 59.097 -12.830 11.741 1.00 22.23 H new ATOM 0 HG22 ILE A 64 59.345 -11.812 13.180 1.00 22.23 H new ATOM 0 HG23 ILE A 64 59.063 -11.057 11.594 1.00 22.23 H new ATOM 0 HD11 ILE A 64 62.910 -12.191 8.938 1.00 35.12 H new ATOM 0 HD12 ILE A 64 63.222 -11.109 10.317 1.00 35.12 H new ATOM 0 HD13 ILE A 64 63.284 -12.874 10.539 1.00 35.12 H new ATOM 948 N PRO A 65 63.194 -11.452 14.031 1.00 24.21 N ATOM 949 CA PRO A 65 64.492 -11.790 14.623 1.00 42.43 C ATOM 950 C PRO A 65 65.184 -12.933 13.886 1.00 34.23 C ATOM 951 O PRO A 65 66.306 -13.310 14.222 1.00 4.23 O ATOM 952 CB PRO A 65 64.132 -12.214 16.049 1.00 11.23 C ATOM 953 CG PRO A 65 62.720 -12.680 15.962 1.00 51.25 C ATOM 954 CD PRO A 65 62.070 -11.832 14.903 1.00 72.23 C ATOM 0 HA PRO A 65 65.192 -10.956 14.576 1.00 42.43 H new ATOM 0 HB2 PRO A 65 64.789 -13.008 16.404 1.00 11.23 H new ATOM 0 HB3 PRO A 65 64.232 -11.382 16.746 1.00 11.23 H new ATOM 0 HG2 PRO A 65 62.673 -13.737 15.699 1.00 51.25 H new ATOM 0 HG3 PRO A 65 62.212 -12.567 16.920 1.00 51.25 H new ATOM 0 HD2 PRO A 65 61.307 -12.387 14.356 1.00 72.23 H new ATOM 0 HD3 PRO A 65 61.581 -10.957 15.333 1.00 72.23 H new ATOM 962 N SER A 66 64.508 -13.478 12.880 1.00 1.25 N ATOM 963 CA SER A 66 65.057 -14.580 12.098 1.00 33.45 C ATOM 964 C SER A 66 66.494 -14.283 11.677 1.00 61.44 C ATOM 965 O SER A 66 67.311 -15.191 11.534 1.00 0.31 O ATOM 966 CB SER A 66 64.194 -14.835 10.862 1.00 2.01 C ATOM 967 OG SER A 66 64.349 -16.165 10.397 1.00 3.24 O ATOM 0 H SER A 66 63.579 -13.175 12.587 1.00 1.25 H new ATOM 0 HA SER A 66 65.056 -15.473 12.723 1.00 33.45 H new ATOM 0 HB2 SER A 66 63.147 -14.650 11.101 1.00 2.01 H new ATOM 0 HB3 SER A 66 64.469 -14.136 10.072 1.00 2.01 H new ATOM 0 HG SER A 66 63.786 -16.303 9.607 1.00 3.24 H new ATOM 973 N LYS A 67 66.793 -13.004 11.478 1.00 33.14 N ATOM 974 CA LYS A 67 68.129 -12.584 11.074 1.00 12.04 C ATOM 975 C LYS A 67 68.842 -11.864 12.215 1.00 71.32 C ATOM 976 O LYS A 67 70.057 -11.665 12.175 1.00 22.43 O ATOM 977 CB LYS A 67 68.052 -11.669 9.850 1.00 65.41 C ATOM 978 CG LYS A 67 69.288 -11.724 8.970 1.00 42.21 C ATOM 979 CD LYS A 67 70.169 -10.503 9.171 1.00 10.11 C ATOM 980 CE LYS A 67 69.760 -9.363 8.252 1.00 32.32 C ATOM 981 NZ LYS A 67 70.858 -8.372 8.075 1.00 31.40 N ATOM 0 H LYS A 67 66.127 -12.240 11.590 1.00 33.14 H new ATOM 0 HA LYS A 67 68.700 -13.477 10.817 1.00 12.04 H new ATOM 0 HB2 LYS A 67 67.181 -11.944 9.256 1.00 65.41 H new ATOM 0 HB3 LYS A 67 67.899 -10.643 10.183 1.00 65.41 H new ATOM 0 HG2 LYS A 67 69.857 -12.626 9.196 1.00 42.21 H new ATOM 0 HG3 LYS A 67 68.989 -11.790 7.924 1.00 42.21 H new ATOM 0 HD2 LYS A 67 70.107 -10.175 10.209 1.00 10.11 H new ATOM 0 HD3 LYS A 67 71.209 -10.769 8.982 1.00 10.11 H new ATOM 0 HE2 LYS A 67 69.473 -9.765 7.280 1.00 32.32 H new ATOM 0 HE3 LYS A 67 68.882 -8.863 8.662 1.00 32.32 H new ATOM 0 HZ1 LYS A 67 70.540 -7.611 7.442 1.00 31.40 H new ATOM 0 HZ2 LYS A 67 71.115 -7.969 8.999 1.00 31.40 H new ATOM 0 HZ3 LYS A 67 71.687 -8.843 7.660 1.00 31.40 H new ATOM 995 N LYS A 68 68.079 -11.475 13.231 1.00 63.11 N ATOM 996 CA LYS A 68 68.637 -10.779 14.385 1.00 44.23 C ATOM 997 C LYS A 68 69.848 -11.524 14.936 1.00 44.30 C ATOM 998 O LYS A 68 70.990 -11.109 14.736 1.00 53.23 O ATOM 999 CB LYS A 68 67.576 -10.629 15.478 1.00 5.14 C ATOM 1000 CG LYS A 68 68.128 -10.112 16.795 1.00 12.50 C ATOM 1001 CD LYS A 68 67.314 -8.942 17.320 1.00 53.35 C ATOM 1002 CE LYS A 68 67.874 -7.613 16.835 1.00 74.41 C ATOM 1003 NZ LYS A 68 67.504 -7.338 15.419 1.00 20.41 N ATOM 0 H LYS A 68 67.072 -11.630 13.279 1.00 63.11 H new ATOM 0 HA LYS A 68 68.958 -9.789 14.061 1.00 44.23 H new ATOM 0 HB2 LYS A 68 66.799 -9.949 15.128 1.00 5.14 H new ATOM 0 HB3 LYS A 68 67.101 -11.596 15.647 1.00 5.14 H new ATOM 0 HG2 LYS A 68 68.128 -10.916 17.531 1.00 12.50 H new ATOM 0 HG3 LYS A 68 69.165 -9.804 16.660 1.00 12.50 H new ATOM 0 HD2 LYS A 68 66.278 -9.042 16.995 1.00 53.35 H new ATOM 0 HD3 LYS A 68 67.309 -8.960 18.410 1.00 53.35 H new ATOM 0 HE2 LYS A 68 67.502 -6.809 17.470 1.00 74.41 H new ATOM 0 HE3 LYS A 68 68.960 -7.620 16.932 1.00 74.41 H new ATOM 0 HZ1 LYS A 68 67.724 -6.348 15.189 1.00 20.41 H new ATOM 0 HZ2 LYS A 68 68.043 -7.968 14.791 1.00 20.41 H new ATOM 0 HZ3 LYS A 68 66.486 -7.506 15.287 1.00 20.41 H new ATOM 1017 N LYS A 69 69.593 -12.628 15.630 1.00 2.22 N ATOM 1018 CA LYS A 69 70.662 -13.434 16.208 1.00 14.31 C ATOM 1019 C LYS A 69 71.619 -12.565 17.019 1.00 4.03 C ATOM 1020 O LYS A 69 72.819 -12.528 16.749 1.00 44.40 O ATOM 1021 CB LYS A 69 71.431 -14.165 15.105 1.00 2.24 C ATOM 1022 CG LYS A 69 71.981 -15.513 15.538 1.00 31.42 C ATOM 1023 CD LYS A 69 71.202 -16.660 14.917 1.00 70.23 C ATOM 1024 CE LYS A 69 71.642 -18.002 15.479 1.00 43.43 C ATOM 1025 NZ LYS A 69 70.875 -18.371 16.701 1.00 13.13 N ATOM 0 H LYS A 69 68.654 -12.985 15.806 1.00 2.22 H new ATOM 0 HA LYS A 69 70.210 -14.168 16.875 1.00 14.31 H new ATOM 0 HB2 LYS A 69 70.772 -14.309 14.249 1.00 2.24 H new ATOM 0 HB3 LYS A 69 72.256 -13.536 14.771 1.00 2.24 H new ATOM 0 HG2 LYS A 69 73.030 -15.588 15.252 1.00 31.42 H new ATOM 0 HG3 LYS A 69 71.941 -15.591 16.624 1.00 31.42 H new ATOM 0 HD2 LYS A 69 70.137 -16.519 15.101 1.00 70.23 H new ATOM 0 HD3 LYS A 69 71.343 -16.653 13.836 1.00 70.23 H new ATOM 0 HE2 LYS A 69 71.510 -18.774 14.721 1.00 43.43 H new ATOM 0 HE3 LYS A 69 72.705 -17.966 15.715 1.00 43.43 H new ATOM 0 HZ1 LYS A 69 71.205 -19.292 17.053 1.00 13.13 H new ATOM 0 HZ2 LYS A 69 71.021 -17.648 17.434 1.00 13.13 H new ATOM 0 HZ3 LYS A 69 69.863 -18.431 16.471 1.00 13.13 H new ATOM 1039 N ASN A 70 71.080 -11.871 18.016 1.00 21.33 N ATOM 1040 CA ASN A 70 71.887 -11.004 18.867 1.00 72.22 C ATOM 1041 C ASN A 70 72.686 -10.010 18.030 1.00 51.14 C ATOM 1042 O ASN A 70 73.850 -10.246 17.711 1.00 12.31 O ATOM 1043 CB ASN A 70 72.834 -11.840 19.729 1.00 53.20 C ATOM 1044 CG ASN A 70 72.093 -12.788 20.653 1.00 61.44 C ATOM 1045 OD1 ASN A 70 71.912 -13.964 20.338 1.00 24.40 O ATOM 1046 ND2 ASN A 70 71.659 -12.277 21.800 1.00 50.33 N ATOM 0 H ASN A 70 70.088 -11.892 18.254 1.00 21.33 H new ATOM 0 HA ASN A 70 71.213 -10.445 19.516 1.00 72.22 H new ATOM 0 HB2 ASN A 70 73.498 -12.413 19.082 1.00 53.20 H new ATOM 0 HB3 ASN A 70 73.462 -11.176 20.323 1.00 53.20 H new ATOM 0 HD21 ASN A 70 71.153 -12.866 22.461 1.00 50.33 H new ATOM 0 HD22 ASN A 70 71.832 -11.296 22.019 1.00 50.33 H new ATOM 1053 N GLY A 71 72.052 -8.896 17.678 1.00 33.43 N ATOM 1054 CA GLY A 71 72.718 -7.882 16.881 1.00 13.24 C ATOM 1055 C GLY A 71 72.365 -6.475 17.320 1.00 34.34 C ATOM 1056 O GLY A 71 71.193 -6.150 17.503 1.00 21.15 O ATOM 0 H GLY A 71 71.088 -8.677 17.931 1.00 33.43 H new ATOM 0 HA2 GLY A 71 73.797 -8.021 16.950 1.00 13.24 H new ATOM 0 HA3 GLY A 71 72.446 -8.011 15.833 1.00 13.24 H new ATOM 1060 N ASN A 72 73.383 -5.637 17.492 1.00 23.12 N ATOM 1061 CA ASN A 72 73.175 -4.258 17.915 1.00 72.41 C ATOM 1062 C ASN A 72 74.439 -3.429 17.712 1.00 1.22 C ATOM 1063 O ASN A 72 74.459 -2.491 16.917 1.00 62.24 O ATOM 1064 CB ASN A 72 72.751 -4.211 19.385 1.00 42.31 C ATOM 1065 CG ASN A 72 72.137 -2.878 19.767 1.00 20.12 C ATOM 1066 OD1 ASN A 72 71.449 -2.246 18.966 1.00 44.45 O ATOM 1067 ND2 ASN A 72 72.384 -2.445 20.998 1.00 22.41 N ATOM 0 H ASN A 72 74.360 -5.890 17.345 1.00 23.12 H new ATOM 0 HA ASN A 72 72.381 -3.833 17.301 1.00 72.41 H new ATOM 0 HB2 ASN A 72 72.033 -5.008 19.579 1.00 42.31 H new ATOM 0 HB3 ASN A 72 73.618 -4.403 20.017 1.00 42.31 H new ATOM 0 HD21 ASN A 72 71.997 -1.555 21.313 1.00 22.41 H new ATOM 0 HD22 ASN A 72 72.960 -3.002 21.629 1.00 22.41 H new ATOM 1074 N GLY A 73 75.495 -3.784 18.439 1.00 73.13 N ATOM 1075 CA GLY A 73 76.751 -3.064 18.324 1.00 65.51 C ATOM 1076 C GLY A 73 77.364 -2.750 19.674 1.00 52.25 C ATOM 1077 O GLY A 73 77.189 -1.653 20.203 1.00 44.44 O ATOM 0 H GLY A 73 75.503 -4.557 19.105 1.00 73.13 H new ATOM 0 HA2 GLY A 73 77.454 -3.657 17.738 1.00 65.51 H new ATOM 0 HA3 GLY A 73 76.585 -2.135 17.779 1.00 65.51 H new ATOM 1081 N GLY A 74 78.085 -3.717 20.234 1.00 60.34 N ATOM 1082 CA GLY A 74 78.713 -3.519 21.526 1.00 14.44 C ATOM 1083 C GLY A 74 77.703 -3.380 22.648 1.00 51.42 C ATOM 1084 O GLY A 74 76.619 -2.832 22.453 1.00 72.35 O ATOM 0 H GLY A 74 78.245 -4.633 19.815 1.00 60.34 H new ATOM 0 HA2 GLY A 74 79.373 -4.360 21.738 1.00 14.44 H new ATOM 0 HA3 GLY A 74 79.336 -2.626 21.490 1.00 14.44 H new ATOM 1088 N VAL A 75 78.059 -3.881 23.828 1.00 44.23 N ATOM 1089 CA VAL A 75 77.174 -3.811 24.985 1.00 41.54 C ATOM 1090 C VAL A 75 77.618 -2.718 25.950 1.00 74.22 C ATOM 1091 O VAL A 75 76.804 -1.924 26.421 1.00 20.22 O ATOM 1092 CB VAL A 75 77.126 -5.155 25.735 1.00 23.15 C ATOM 1093 CG1 VAL A 75 76.064 -5.122 26.823 1.00 24.40 C ATOM 1094 CG2 VAL A 75 76.871 -6.298 24.765 1.00 3.55 C ATOM 0 H VAL A 75 78.953 -4.339 24.007 1.00 44.23 H new ATOM 0 HA VAL A 75 76.178 -3.577 24.609 1.00 41.54 H new ATOM 0 HB VAL A 75 78.093 -5.321 26.209 1.00 23.15 H new ATOM 0 HG11 VAL A 75 76.045 -6.080 27.342 1.00 24.40 H new ATOM 0 HG12 VAL A 75 76.296 -4.329 27.534 1.00 24.40 H new ATOM 0 HG13 VAL A 75 75.089 -4.933 26.374 1.00 24.40 H new ATOM 0 HG21 VAL A 75 76.840 -7.240 25.313 1.00 3.55 H new ATOM 0 HG22 VAL A 75 75.918 -6.141 24.260 1.00 3.55 H new ATOM 0 HG23 VAL A 75 77.672 -6.334 24.026 1.00 3.55 H new ATOM 1104 N PHE A 76 78.914 -2.682 26.240 1.00 40.22 N ATOM 1105 CA PHE A 76 79.467 -1.686 27.150 1.00 53.04 C ATOM 1106 C PHE A 76 80.876 -1.284 26.724 1.00 34.22 C ATOM 1107 O PHE A 76 81.457 -1.878 25.817 1.00 61.45 O ATOM 1108 CB PHE A 76 79.488 -2.228 28.580 1.00 34.43 C ATOM 1109 CG PHE A 76 78.133 -2.269 29.226 1.00 34.20 C ATOM 1110 CD1 PHE A 76 77.578 -1.126 29.778 1.00 33.42 C ATOM 1111 CD2 PHE A 76 77.412 -3.451 29.279 1.00 10.14 C ATOM 1112 CE1 PHE A 76 76.332 -1.162 30.374 1.00 10.01 C ATOM 1113 CE2 PHE A 76 76.164 -3.494 29.873 1.00 53.52 C ATOM 1114 CZ PHE A 76 75.624 -2.347 30.420 1.00 63.20 C ATOM 0 H PHE A 76 79.601 -3.331 25.858 1.00 40.22 H new ATOM 0 HA PHE A 76 78.830 -0.802 27.114 1.00 53.04 H new ATOM 0 HB2 PHE A 76 79.909 -3.234 28.573 1.00 34.43 H new ATOM 0 HB3 PHE A 76 80.151 -1.609 29.185 1.00 34.43 H new ATOM 0 HD1 PHE A 76 78.126 -0.196 29.742 1.00 33.42 H new ATOM 0 HD2 PHE A 76 77.830 -4.350 28.851 1.00 10.14 H new ATOM 0 HE1 PHE A 76 75.912 -0.264 30.803 1.00 10.01 H new ATOM 0 HE2 PHE A 76 75.613 -4.422 29.909 1.00 53.52 H new ATOM 0 HZ PHE A 76 74.649 -2.376 30.883 1.00 63.20 H new ATOM 1124 N GLY A 77 81.421 -0.269 27.389 1.00 54.35 N ATOM 1125 CA GLY A 77 82.757 0.197 27.066 1.00 11.41 C ATOM 1126 C GLY A 77 83.810 -0.376 27.994 1.00 53.24 C ATOM 1127 O GLY A 77 84.883 0.203 28.159 1.00 73.30 O ATOM 0 H GLY A 77 80.961 0.238 28.145 1.00 54.35 H new ATOM 0 HA2 GLY A 77 82.995 -0.076 26.038 1.00 11.41 H new ATOM 0 HA3 GLY A 77 82.782 1.285 27.121 1.00 11.41 H new ATOM 1131 N GLY A 78 83.503 -1.517 28.603 1.00 71.02 N ATOM 1132 CA GLY A 78 84.441 -2.147 29.513 1.00 12.14 C ATOM 1133 C GLY A 78 83.879 -3.405 30.147 1.00 72.43 C ATOM 1134 O GLY A 78 83.730 -3.481 31.366 1.00 22.44 O ATOM 0 H GLY A 78 82.622 -2.016 28.482 1.00 71.02 H new ATOM 0 HA2 GLY A 78 85.356 -2.393 28.974 1.00 12.14 H new ATOM 0 HA3 GLY A 78 84.713 -1.440 30.296 1.00 12.14 H new ATOM 1138 N LEU A 79 83.563 -4.392 29.316 1.00 4.45 N ATOM 1139 CA LEU A 79 83.011 -5.653 29.802 1.00 15.53 C ATOM 1140 C LEU A 79 84.120 -6.668 30.063 1.00 55.33 C ATOM 1141 O LEU A 79 83.973 -7.564 30.894 1.00 63.53 O ATOM 1142 CB LEU A 79 82.014 -6.219 28.790 1.00 54.41 C ATOM 1143 CG LEU A 79 82.567 -6.515 27.395 1.00 40.42 C ATOM 1144 CD1 LEU A 79 82.082 -7.869 26.905 1.00 5.31 C ATOM 1145 CD2 LEU A 79 82.168 -5.418 26.419 1.00 63.22 C ATOM 0 H LEU A 79 83.679 -4.344 28.304 1.00 4.45 H new ATOM 0 HA LEU A 79 82.494 -5.457 30.742 1.00 15.53 H new ATOM 0 HB2 LEU A 79 81.598 -7.141 29.197 1.00 54.41 H new ATOM 0 HB3 LEU A 79 81.189 -5.514 28.690 1.00 54.41 H new ATOM 0 HG LEU A 79 83.655 -6.542 27.455 1.00 40.42 H new ATOM 0 HD11 LEU A 79 82.486 -8.062 25.911 1.00 5.31 H new ATOM 0 HD12 LEU A 79 82.419 -8.646 27.591 1.00 5.31 H new ATOM 0 HD13 LEU A 79 80.993 -7.871 26.861 1.00 5.31 H new ATOM 0 HD21 LEU A 79 82.570 -5.645 25.432 1.00 63.22 H new ATOM 0 HD22 LEU A 79 81.081 -5.358 26.363 1.00 63.22 H new ATOM 0 HD23 LEU A 79 82.567 -4.463 26.762 1.00 63.22 H new ATOM 1157 N PHE A 80 85.231 -6.519 29.349 1.00 14.41 N ATOM 1158 CA PHE A 80 86.366 -7.422 29.504 1.00 5.14 C ATOM 1159 C PHE A 80 87.384 -6.852 30.488 1.00 41.03 C ATOM 1160 O PHE A 80 88.553 -7.238 30.481 1.00 60.23 O ATOM 1161 CB PHE A 80 87.033 -7.674 28.151 1.00 3.50 C ATOM 1162 CG PHE A 80 86.753 -9.039 27.590 1.00 50.13 C ATOM 1163 CD1 PHE A 80 85.456 -9.432 27.303 1.00 20.20 C ATOM 1164 CD2 PHE A 80 87.787 -9.929 27.348 1.00 51.41 C ATOM 1165 CE1 PHE A 80 85.195 -10.688 26.788 1.00 71.43 C ATOM 1166 CE2 PHE A 80 87.533 -11.186 26.831 1.00 23.42 C ATOM 1167 CZ PHE A 80 86.235 -11.565 26.550 1.00 11.30 C ATOM 0 H PHE A 80 85.370 -5.782 28.658 1.00 14.41 H new ATOM 0 HA PHE A 80 85.995 -8.367 29.899 1.00 5.14 H new ATOM 0 HB2 PHE A 80 86.692 -6.921 27.441 1.00 3.50 H new ATOM 0 HB3 PHE A 80 88.110 -7.547 28.257 1.00 3.50 H new ATOM 0 HD1 PHE A 80 84.639 -8.749 27.484 1.00 20.20 H new ATOM 0 HD2 PHE A 80 88.804 -9.637 27.566 1.00 51.41 H new ATOM 0 HE1 PHE A 80 84.179 -10.983 26.572 1.00 71.43 H new ATOM 0 HE2 PHE A 80 88.348 -11.870 26.647 1.00 23.42 H new ATOM 0 HZ PHE A 80 86.034 -12.546 26.145 1.00 11.30 H new ATOM 1177 N ALA A 81 86.931 -5.931 31.332 1.00 44.33 N ATOM 1178 CA ALA A 81 87.801 -5.308 32.322 1.00 42.21 C ATOM 1179 C ALA A 81 88.151 -6.286 33.438 1.00 63.15 C ATOM 1180 O ALA A 81 87.785 -7.461 33.386 1.00 73.52 O ATOM 1181 CB ALA A 81 87.141 -4.063 32.895 1.00 2.31 C ATOM 0 H ALA A 81 85.966 -5.600 31.350 1.00 44.33 H new ATOM 0 HA ALA A 81 88.727 -5.019 31.825 1.00 42.21 H new ATOM 0 HB1 ALA A 81 87.802 -3.608 33.633 1.00 2.31 H new ATOM 0 HB2 ALA A 81 86.948 -3.351 32.092 1.00 2.31 H new ATOM 0 HB3 ALA A 81 86.199 -4.337 33.371 1.00 2.31 H new ATOM 1187 N LYS A 82 88.862 -5.796 34.447 1.00 72.42 N ATOM 1188 CA LYS A 82 89.261 -6.625 35.578 1.00 50.31 C ATOM 1189 C LYS A 82 90.187 -7.750 35.126 1.00 32.12 C ATOM 1190 O LYS A 82 90.339 -8.002 33.931 1.00 60.33 O ATOM 1191 CB LYS A 82 88.027 -7.213 36.266 1.00 61.40 C ATOM 1192 CG LYS A 82 88.214 -7.443 37.756 1.00 61.35 C ATOM 1193 CD LYS A 82 86.880 -7.577 38.471 1.00 15.45 C ATOM 1194 CE LYS A 82 86.977 -8.522 39.660 1.00 42.45 C ATOM 1195 NZ LYS A 82 85.672 -9.178 39.954 1.00 51.32 N ATOM 0 H LYS A 82 89.174 -4.827 34.505 1.00 72.42 H new ATOM 0 HA LYS A 82 89.799 -5.996 36.286 1.00 50.31 H new ATOM 0 HB2 LYS A 82 87.182 -6.542 36.114 1.00 61.40 H new ATOM 0 HB3 LYS A 82 87.772 -8.160 35.790 1.00 61.40 H new ATOM 0 HG2 LYS A 82 88.805 -8.345 37.915 1.00 61.35 H new ATOM 0 HG3 LYS A 82 88.776 -6.614 38.185 1.00 61.35 H new ATOM 0 HD2 LYS A 82 86.548 -6.596 38.811 1.00 15.45 H new ATOM 0 HD3 LYS A 82 86.127 -7.944 37.773 1.00 15.45 H new ATOM 0 HE2 LYS A 82 87.729 -9.284 39.458 1.00 42.45 H new ATOM 0 HE3 LYS A 82 87.311 -7.969 40.538 1.00 42.45 H new ATOM 0 HZ1 LYS A 82 85.779 -9.814 40.770 1.00 51.32 H new ATOM 0 HZ2 LYS A 82 84.960 -8.452 40.172 1.00 51.32 H new ATOM 0 HZ3 LYS A 82 85.365 -9.727 39.126 1.00 51.32 H new ATOM 1209 N LYS A 83 90.805 -8.424 36.090 1.00 20.44 N ATOM 1210 CA LYS A 83 91.715 -9.524 35.794 1.00 61.11 C ATOM 1211 C LYS A 83 90.983 -10.659 35.085 1.00 14.13 C ATOM 1212 O LYS A 83 89.905 -11.075 35.509 1.00 71.25 O ATOM 1213 CB LYS A 83 92.359 -10.042 37.082 1.00 44.30 C ATOM 1214 CG LYS A 83 93.192 -9.000 37.807 1.00 24.53 C ATOM 1215 CD LYS A 83 94.577 -8.869 37.197 1.00 4.40 C ATOM 1216 CE LYS A 83 94.943 -7.413 36.953 1.00 42.41 C ATOM 1217 NZ LYS A 83 95.432 -6.750 38.193 1.00 71.55 N ATOM 0 H LYS A 83 90.692 -8.227 37.084 1.00 20.44 H new ATOM 0 HA LYS A 83 92.495 -9.149 35.132 1.00 61.11 H new ATOM 0 HB2 LYS A 83 91.576 -10.399 37.751 1.00 44.30 H new ATOM 0 HB3 LYS A 83 92.990 -10.898 36.844 1.00 44.30 H new ATOM 0 HG2 LYS A 83 92.684 -8.036 37.769 1.00 24.53 H new ATOM 0 HG3 LYS A 83 93.281 -9.272 38.859 1.00 24.53 H new ATOM 0 HD2 LYS A 83 95.312 -9.324 37.861 1.00 4.40 H new ATOM 0 HD3 LYS A 83 94.615 -9.417 36.256 1.00 4.40 H new ATOM 0 HE2 LYS A 83 95.712 -7.356 36.183 1.00 42.41 H new ATOM 0 HE3 LYS A 83 94.072 -6.878 36.574 1.00 42.41 H new ATOM 0 HZ1 LYS A 83 95.671 -5.759 37.986 1.00 71.55 H new ATOM 0 HZ2 LYS A 83 94.689 -6.782 38.920 1.00 71.55 H new ATOM 0 HZ3 LYS A 83 96.278 -7.245 38.541 1.00 71.55 H new ATOM 1231 N ASP A 84 91.577 -11.157 34.006 1.00 2.31 N ATOM 1232 CA ASP A 84 90.983 -12.246 33.241 1.00 2.55 C ATOM 1233 C ASP A 84 90.978 -13.540 34.050 1.00 50.43 C ATOM 1234 O ASP A 84 89.950 -14.207 34.167 1.00 61.44 O ATOM 1235 CB ASP A 84 91.745 -12.453 31.930 1.00 20.02 C ATOM 1236 CG ASP A 84 92.986 -13.303 32.111 1.00 54.42 C ATOM 1237 OD1 ASP A 84 93.802 -12.981 33.000 1.00 74.14 O ATOM 1238 OD2 ASP A 84 93.145 -14.290 31.361 1.00 74.22 O ATOM 0 H ASP A 84 92.469 -10.823 33.642 1.00 2.31 H new ATOM 0 HA ASP A 84 89.952 -11.976 33.014 1.00 2.55 H new ATOM 0 HB2 ASP A 84 91.087 -12.926 31.201 1.00 20.02 H new ATOM 0 HB3 ASP A 84 92.029 -11.483 31.521 1.00 20.02 H new TER 1243 ASP A 84