USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 816 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 62 THR OG1 : rot 62:sc= 1.01 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= -0.0926 USER MOD Set 2.1: A 32 ASN : amide:sc= -0.295 K(o=-1.5,f=-2.5) USER MOD Set 2.2: A 41 GLN : amide:sc= -1.18 X(o=-1.5,f=-1.8!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0617 USER MOD Single : A 5 THR OG1 : rot 106:sc= 0.561 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -5.11 K(o=-5.1,f=-11!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.571 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.7) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.641 USER MOD Single : A 70 MET CE :methyl 165:sc= -1.42 (180deg=-2.67!) USER MOD Single : A 74 SER OG : rot 110:sc= -0.0339 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 2.658 -1.696 -0.511 1.00 23.13 N ATOM 19 CA SER A 2 3.665 -2.742 -0.386 1.00 70.22 C ATOM 20 C SER A 2 3.366 -3.901 -1.332 1.00 60.42 C ATOM 21 O SER A 2 2.506 -3.797 -2.207 1.00 33.03 O ATOM 22 CB SER A 2 3.728 -3.249 1.057 1.00 14.01 C ATOM 23 OG SER A 2 5.016 -3.753 1.365 1.00 44.23 O ATOM 0 HA SER A 2 4.631 -2.316 -0.656 1.00 70.22 H new ATOM 0 HB2 SER A 2 3.478 -2.439 1.742 1.00 14.01 H new ATOM 0 HB3 SER A 2 2.983 -4.031 1.204 1.00 14.01 H new ATOM 0 HG SER A 2 5.030 -4.069 2.293 1.00 44.23 H new ATOM 29 N VAL A 3 4.084 -5.005 -1.151 1.00 5.10 N ATOM 30 CA VAL A 3 3.895 -6.185 -1.986 1.00 74.43 C ATOM 31 C VAL A 3 2.418 -6.548 -2.100 1.00 53.33 C ATOM 32 O VAL A 3 1.936 -6.891 -3.178 1.00 14.34 O ATOM 33 CB VAL A 3 4.668 -7.396 -1.431 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.369 -8.642 -2.249 1.00 62.02 C ATOM 35 CG2 VAL A 3 6.162 -7.109 -1.408 1.00 71.40 C ATOM 0 H VAL A 3 4.802 -5.107 -0.434 1.00 5.10 H new ATOM 0 HA VAL A 3 4.283 -5.938 -2.974 1.00 74.43 H new ATOM 0 HB VAL A 3 4.340 -7.576 -0.407 1.00 11.31 H new ATOM 0 HG11 VAL A 3 4.924 -9.487 -1.841 1.00 62.02 H new ATOM 0 HG12 VAL A 3 3.301 -8.856 -2.208 1.00 62.02 H new ATOM 0 HG13 VAL A 3 4.667 -8.478 -3.285 1.00 62.02 H new ATOM 0 HG21 VAL A 3 6.693 -7.975 -1.013 1.00 71.40 H new ATOM 0 HG22 VAL A 3 6.508 -6.902 -2.421 1.00 71.40 H new ATOM 0 HG23 VAL A 3 6.357 -6.244 -0.774 1.00 71.40 H new ATOM 45 N GLU A 4 1.707 -6.469 -0.979 1.00 43.03 N ATOM 46 CA GLU A 4 0.285 -6.790 -0.954 1.00 11.43 C ATOM 47 C GLU A 4 -0.462 -6.036 -2.050 1.00 22.33 C ATOM 48 O GLU A 4 -1.422 -6.548 -2.630 1.00 35.51 O ATOM 49 CB GLU A 4 -0.313 -6.450 0.413 1.00 73.40 C ATOM 50 CG GLU A 4 -1.832 -6.448 0.429 1.00 34.13 C ATOM 51 CD GLU A 4 -2.400 -6.129 1.798 1.00 73.21 C ATOM 52 OE1 GLU A 4 -1.772 -5.336 2.531 1.00 60.22 O ATOM 53 OE2 GLU A 4 -3.473 -6.673 2.137 1.00 42.52 O1- ATOM 0 H GLU A 4 2.092 -6.186 -0.078 1.00 43.03 H new ATOM 0 HA GLU A 4 0.177 -7.860 -1.134 1.00 11.43 H new ATOM 0 HB2 GLU A 4 0.049 -7.169 1.148 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.047 -5.469 0.724 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -2.198 -5.717 -0.292 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -2.196 -7.423 0.107 1.00 34.13 H new ATOM 60 N THR A 5 -0.017 -4.815 -2.330 1.00 74.04 N ATOM 61 CA THR A 5 -0.643 -3.990 -3.355 1.00 61.14 C ATOM 62 C THR A 5 -0.158 -4.378 -4.746 1.00 11.11 C ATOM 63 O THR A 5 -0.917 -4.324 -5.715 1.00 53.10 O ATOM 64 CB THR A 5 -0.357 -2.493 -3.122 1.00 23.45 C ATOM 65 OG1 THR A 5 -0.116 -2.251 -1.732 1.00 72.15 O ATOM 66 CG2 THR A 5 -1.524 -1.640 -3.597 1.00 71.31 C ATOM 0 H THR A 5 0.775 -4.376 -1.861 1.00 74.04 H new ATOM 0 HA THR A 5 -1.717 -4.163 -3.288 1.00 61.14 H new ATOM 0 HB THR A 5 0.529 -2.220 -3.696 1.00 23.45 H new ATOM 0 HG1 THR A 5 0.842 -2.103 -1.587 1.00 72.15 H new ATOM 0 HG21 THR A 5 -1.300 -0.588 -3.423 1.00 71.31 H new ATOM 0 HG22 THR A 5 -1.685 -1.805 -4.662 1.00 71.31 H new ATOM 0 HG23 THR A 5 -2.424 -1.915 -3.047 1.00 71.31 H new ATOM 74 N ILE A 6 1.108 -4.770 -4.839 1.00 14.44 N ATOM 75 CA ILE A 6 1.693 -5.168 -6.112 1.00 13.03 C ATOM 76 C ILE A 6 1.111 -6.494 -6.593 1.00 73.35 C ATOM 77 O ILE A 6 0.587 -6.587 -7.703 1.00 33.51 O ATOM 78 CB ILE A 6 3.224 -5.299 -6.013 1.00 41.41 C ATOM 79 CG1 ILE A 6 3.801 -4.158 -5.172 1.00 24.24 C ATOM 80 CG2 ILE A 6 3.847 -5.308 -7.401 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.296 -2.791 -5.580 1.00 64.21 C ATOM 0 H ILE A 6 1.748 -4.820 -4.047 1.00 14.44 H new ATOM 0 HA ILE A 6 1.450 -4.384 -6.829 1.00 13.03 H new ATOM 0 HB ILE A 6 3.462 -6.244 -5.524 1.00 41.41 H new ATOM 0 HG12 ILE A 6 3.555 -4.329 -4.124 1.00 24.24 H new ATOM 0 HG13 ILE A 6 4.888 -4.173 -5.251 1.00 24.24 H new ATOM 0 HG21 ILE A 6 4.929 -5.401 -7.313 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.455 -6.151 -7.970 1.00 42.51 H new ATOM 0 HG23 ILE A 6 3.603 -4.378 -7.915 1.00 42.51 H new ATOM 0 HD11 ILE A 6 3.747 -2.031 -4.941 1.00 64.21 H new ATOM 0 HD12 ILE A 6 3.565 -2.599 -6.618 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.212 -2.757 -5.474 1.00 64.21 H new ATOM 93 N ILE A 7 1.207 -7.516 -5.750 1.00 51.41 N ATOM 94 CA ILE A 7 0.688 -8.836 -6.087 1.00 0.02 C ATOM 95 C ILE A 7 -0.817 -8.789 -6.328 1.00 53.31 C ATOM 96 O ILE A 7 -1.354 -9.571 -7.112 1.00 54.10 O ATOM 97 CB ILE A 7 0.988 -9.860 -4.976 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.496 -10.082 -4.851 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.275 -11.173 -5.260 1.00 54.25 C ATOM 100 CD1 ILE A 7 3.135 -10.616 -6.113 1.00 52.51 C ATOM 0 H ILE A 7 1.639 -7.456 -4.828 1.00 51.41 H new ATOM 0 HA ILE A 7 1.191 -9.149 -7.002 1.00 0.02 H new ATOM 0 HB ILE A 7 0.618 -9.466 -4.029 1.00 13.24 H new ATOM 0 HG12 ILE A 7 2.973 -9.139 -4.583 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.686 -10.779 -4.034 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.497 -11.886 -4.466 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.800 -11.001 -5.303 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.617 -11.574 -6.214 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.205 -10.749 -5.951 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.685 -11.575 -6.371 1.00 52.51 H new ATOM 0 HD13 ILE A 7 2.976 -9.910 -6.928 1.00 52.51 H new ATOM 112 N GLU A 8 -1.491 -7.867 -5.650 1.00 35.43 N ATOM 113 CA GLU A 8 -2.935 -7.717 -5.791 1.00 71.25 C ATOM 114 C GLU A 8 -3.312 -7.424 -7.241 1.00 71.52 C ATOM 115 O GLU A 8 -4.360 -7.856 -7.720 1.00 32.54 O ATOM 116 CB GLU A 8 -3.445 -6.597 -4.883 1.00 71.25 C ATOM 117 CG GLU A 8 -4.089 -7.098 -3.601 1.00 15.12 C ATOM 118 CD GLU A 8 -5.565 -7.404 -3.770 1.00 1.01 C ATOM 119 OE1 GLU A 8 -6.301 -6.519 -4.254 1.00 75.25 O ATOM 120 OE2 GLU A 8 -5.984 -8.526 -3.417 1.00 14.41 O1- ATOM 0 H GLU A 8 -1.061 -7.212 -4.997 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.403 -8.656 -5.495 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.613 -5.940 -4.629 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -4.170 -5.996 -5.433 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.571 -7.997 -3.266 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.964 -6.349 -2.819 1.00 15.12 H new ATOM 127 N ARG A 9 -2.450 -6.686 -7.931 1.00 14.15 N ATOM 128 CA ARG A 9 -2.693 -6.332 -9.325 1.00 33.34 C ATOM 129 C ARG A 9 -2.423 -7.521 -10.242 1.00 22.34 C ATOM 130 O ARG A 9 -3.070 -7.679 -11.278 1.00 52.23 O ATOM 131 CB ARG A 9 -1.814 -5.148 -9.734 1.00 41.22 C ATOM 132 CG ARG A 9 -2.479 -4.210 -10.727 1.00 63.41 C ATOM 133 CD ARG A 9 -1.611 -2.995 -11.014 1.00 44.44 C ATOM 134 NE ARG A 9 -2.300 -1.744 -10.709 1.00 1.20 N ATOM 135 CZ ARG A 9 -3.279 -1.244 -11.455 1.00 43.43 C ATOM 136 NH1 ARG A 9 -3.682 -1.886 -12.542 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -3.857 -0.101 -11.112 1.00 51.24 N ATOM 0 H ARG A 9 -1.577 -6.321 -7.549 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.741 -6.049 -9.425 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -1.540 -4.584 -8.842 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -0.889 -5.526 -10.168 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -2.678 -4.744 -11.656 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -3.442 -3.885 -10.333 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -0.695 -3.057 -10.426 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -1.317 -3.000 -12.063 1.00 44.44 H new ATOM 0 HE ARG A 9 -2.014 -1.226 -9.878 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -3.240 -2.766 -12.808 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -4.434 -1.500 -13.113 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -3.550 0.395 -10.275 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -4.609 0.283 -11.685 1.00 51.24 H new ATOM 151 N ILE A 10 -1.462 -8.354 -9.855 1.00 40.41 N ATOM 152 CA ILE A 10 -1.107 -9.528 -10.643 1.00 14.34 C ATOM 153 C ILE A 10 -2.228 -10.562 -10.624 1.00 62.03 C ATOM 154 O ILE A 10 -2.743 -10.955 -11.671 1.00 74.00 O ATOM 155 CB ILE A 10 0.188 -10.182 -10.125 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.349 -9.188 -10.193 1.00 24.51 C ATOM 157 CG2 ILE A 10 0.507 -11.433 -10.930 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.466 -9.498 -9.221 1.00 13.02 C ATOM 0 H ILE A 10 -0.916 -8.238 -9.001 1.00 40.41 H new ATOM 0 HA ILE A 10 -0.948 -9.186 -11.666 1.00 14.34 H new ATOM 0 HB ILE A 10 0.042 -10.470 -9.084 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.751 -9.180 -11.206 1.00 24.51 H new ATOM 0 HG13 ILE A 10 0.971 -8.186 -9.992 1.00 24.51 H new ATOM 0 HG21 ILE A 10 1.425 -11.884 -10.553 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.313 -12.145 -10.836 1.00 55.12 H new ATOM 0 HG23 ILE A 10 0.638 -11.167 -11.979 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.255 -8.753 -9.324 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.078 -9.477 -8.203 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.871 -10.487 -9.435 1.00 13.02 H new ATOM 170 N LYS A 11 -2.602 -10.999 -9.426 1.00 61.13 N ATOM 171 CA LYS A 11 -3.665 -11.984 -9.269 1.00 50.23 C ATOM 172 C LYS A 11 -4.937 -11.532 -9.979 1.00 62.52 C ATOM 173 O LYS A 11 -5.686 -12.350 -10.512 1.00 43.22 O ATOM 174 CB LYS A 11 -3.953 -12.222 -7.785 1.00 4.34 C ATOM 175 CG LYS A 11 -3.995 -10.946 -6.962 1.00 75.22 C ATOM 176 CD LYS A 11 -5.186 -10.928 -6.020 1.00 21.30 C ATOM 177 CE LYS A 11 -6.232 -9.915 -6.462 1.00 45.52 C ATOM 178 NZ LYS A 11 -7.581 -10.241 -5.924 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.184 -10.686 -8.550 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.330 -12.917 -9.722 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -4.907 -12.739 -7.687 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.189 -12.883 -7.376 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.074 -10.853 -6.387 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -4.044 -10.084 -7.628 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.634 -11.921 -5.979 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -4.850 -10.689 -5.011 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -5.938 -8.920 -6.127 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -6.272 -9.886 -7.551 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -8.265 -9.528 -6.247 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -7.873 -11.180 -6.264 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -7.549 -10.244 -4.884 1.00 13.21 H new ATOM 192 N ALA A 12 -5.174 -10.224 -9.985 1.00 55.14 N ATOM 193 CA ALA A 12 -6.352 -9.664 -10.632 1.00 34.34 C ATOM 194 C ALA A 12 -6.207 -9.686 -12.150 1.00 55.24 C ATOM 195 O ALA A 12 -7.178 -9.916 -12.872 1.00 10.40 O ATOM 196 CB ALA A 12 -6.598 -8.243 -10.144 1.00 45.33 C ATOM 0 H ALA A 12 -4.564 -9.533 -9.548 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.210 -10.281 -10.366 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.482 -7.837 -10.636 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.755 -8.251 -9.065 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.734 -7.622 -10.381 1.00 45.33 H new ATOM 202 N ARG A 13 -4.990 -9.445 -12.627 1.00 1.42 N ATOM 203 CA ARG A 13 -4.719 -9.435 -14.060 1.00 42.34 C ATOM 204 C ARG A 13 -4.742 -10.852 -14.626 1.00 75.41 C ATOM 205 O ARG A 13 -5.433 -11.129 -15.607 1.00 71.34 O ATOM 206 CB ARG A 13 -3.364 -8.784 -14.339 1.00 55.21 C ATOM 207 CG ARG A 13 -3.061 -8.621 -15.820 1.00 12.20 C ATOM 208 CD ARG A 13 -3.831 -7.455 -16.422 1.00 25.52 C ATOM 209 NE ARG A 13 -2.940 -6.403 -16.906 1.00 14.11 N ATOM 210 CZ ARG A 13 -3.306 -5.479 -17.786 1.00 35.11 C ATOM 211 NH1 ARG A 13 -4.537 -5.475 -18.277 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -2.438 -4.555 -18.178 1.00 54.31 N ATOM 0 H ARG A 13 -4.176 -9.254 -12.042 1.00 1.42 H new ATOM 0 HA ARG A 13 -5.501 -8.854 -14.549 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.335 -7.805 -13.861 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -2.580 -9.386 -13.880 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -1.992 -8.462 -15.958 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.318 -9.539 -16.348 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -4.448 -7.815 -17.245 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -4.507 -7.042 -15.673 1.00 25.52 H new ATOM 0 HE ARG A 13 -1.985 -6.377 -16.548 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -5.207 -6.184 -17.979 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -4.814 -4.763 -18.953 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -1.489 -4.555 -17.803 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -2.719 -3.845 -18.854 1.00 54.31 H new ATOM 226 N VAL A 14 -3.980 -11.745 -14.003 1.00 22.42 N ATOM 227 CA VAL A 14 -3.913 -13.133 -14.445 1.00 65.13 C ATOM 228 C VAL A 14 -5.306 -13.735 -14.582 1.00 11.41 C ATOM 229 O VAL A 14 -5.622 -14.374 -15.585 1.00 11.41 O ATOM 230 CB VAL A 14 -3.087 -13.993 -13.469 1.00 21.10 C ATOM 231 CG1 VAL A 14 -1.599 -13.743 -13.662 1.00 11.02 C ATOM 232 CG2 VAL A 14 -3.501 -13.712 -12.032 1.00 61.14 C ATOM 0 H VAL A 14 -3.401 -11.532 -13.191 1.00 22.42 H new ATOM 0 HA VAL A 14 -3.425 -13.131 -15.420 1.00 65.13 H new ATOM 0 HB VAL A 14 -3.284 -15.044 -13.682 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -1.033 -14.359 -12.964 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -1.317 -13.999 -14.683 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -1.380 -12.691 -13.478 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -2.908 -14.328 -11.356 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -3.334 -12.659 -11.805 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -4.558 -13.948 -11.905 1.00 61.14 H new ATOM 242 N GLY A 15 -6.139 -13.526 -13.566 1.00 21.44 N ATOM 243 CA GLY A 15 -7.490 -14.053 -13.592 1.00 52.30 C ATOM 244 C GLY A 15 -8.413 -13.238 -14.477 1.00 73.25 C ATOM 245 O GLY A 15 -9.594 -13.555 -14.610 1.00 42.21 O ATOM 0 H GLY A 15 -5.901 -13.000 -12.725 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -7.468 -15.084 -13.947 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -7.888 -14.073 -12.578 1.00 52.30 H new ATOM 249 N ALA A 16 -7.873 -12.184 -15.080 1.00 11.20 N ATOM 250 CA ALA A 16 -8.657 -11.321 -15.956 1.00 51.25 C ATOM 251 C ALA A 16 -8.121 -11.353 -17.383 1.00 3.23 C ATOM 252 O ALA A 16 -8.604 -10.633 -18.256 1.00 4.14 O ATOM 253 CB ALA A 16 -8.663 -9.896 -15.424 1.00 14.21 C ATOM 0 H ALA A 16 -6.897 -11.907 -14.978 1.00 11.20 H new ATOM 0 HA ALA A 16 -9.680 -11.696 -15.973 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.252 -9.262 -16.087 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.101 -9.882 -14.426 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -7.641 -9.521 -15.377 1.00 14.21 H new ATOM 259 N VAL A 17 -7.116 -12.193 -17.613 1.00 61.40 N ATOM 260 CA VAL A 17 -6.513 -12.320 -18.934 1.00 25.41 C ATOM 261 C VAL A 17 -7.578 -12.516 -20.008 1.00 62.03 C ATOM 262 O VAL A 17 -8.544 -13.252 -19.811 1.00 65.32 O ATOM 263 CB VAL A 17 -5.521 -13.498 -18.988 1.00 5.11 C ATOM 264 CG1 VAL A 17 -5.207 -13.865 -20.431 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.249 -13.158 -18.227 1.00 53.34 C ATOM 0 H VAL A 17 -6.703 -12.795 -16.901 1.00 61.40 H new ATOM 0 HA VAL A 17 -5.974 -11.392 -19.126 1.00 25.41 H new ATOM 0 HB VAL A 17 -5.983 -14.362 -18.510 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -4.505 -14.699 -20.450 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -6.126 -14.153 -20.941 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -4.765 -13.007 -20.937 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -3.560 -14.001 -18.275 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -3.781 -12.281 -18.674 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -4.493 -12.948 -17.186 1.00 53.34 H new ATOM 275 N ASP A 18 -7.393 -11.853 -21.144 1.00 53.03 N ATOM 276 CA ASP A 18 -8.337 -11.955 -22.251 1.00 53.12 C ATOM 277 C ASP A 18 -7.789 -12.857 -23.352 1.00 33.02 C ATOM 278 O ASP A 18 -6.586 -12.892 -23.618 1.00 11.13 O ATOM 279 CB ASP A 18 -8.644 -10.569 -22.816 1.00 41.05 C ATOM 280 CG ASP A 18 -9.684 -9.827 -22.000 1.00 3.44 C ATOM 281 OD1 ASP A 18 -10.879 -9.898 -22.355 1.00 41.35 O ATOM 282 OD2 ASP A 18 -9.303 -9.176 -21.005 1.00 43.50 O1- ATOM 0 H ASP A 18 -6.598 -11.239 -21.323 1.00 53.03 H new ATOM 0 HA ASP A 18 -9.258 -12.396 -21.871 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -7.726 -9.982 -22.849 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -8.996 -10.668 -23.843 1.00 41.05 H new ATOM 287 N PRO A 19 -8.687 -13.607 -24.007 1.00 61.33 N ATOM 288 CA PRO A 19 -8.317 -14.524 -25.088 1.00 24.45 C ATOM 289 C PRO A 19 -7.871 -13.785 -26.346 1.00 52.45 C ATOM 290 O PRO A 19 -7.360 -14.394 -27.285 1.00 60.01 O ATOM 291 CB PRO A 19 -9.608 -15.300 -25.354 1.00 44.51 C ATOM 292 CG PRO A 19 -10.697 -14.390 -24.902 1.00 61.04 C ATOM 293 CD PRO A 19 -10.136 -13.617 -23.741 1.00 65.12 C ATOM 0 HA PRO A 19 -7.473 -15.157 -24.814 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -9.711 -15.546 -26.411 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -9.625 -16.241 -24.804 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -11.004 -13.720 -25.705 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -11.580 -14.956 -24.604 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -10.543 -12.607 -23.696 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -10.367 -14.096 -22.790 1.00 65.12 H new ATOM 301 N ASN A 20 -8.066 -12.471 -26.356 1.00 14.21 N ATOM 302 CA ASN A 20 -7.683 -11.651 -27.499 1.00 51.20 C ATOM 303 C ASN A 20 -6.180 -11.391 -27.504 1.00 32.21 C ATOM 304 O ASN A 20 -5.558 -11.303 -28.562 1.00 25.02 O ATOM 305 CB ASN A 20 -8.441 -10.321 -27.475 1.00 64.43 C ATOM 306 CG ASN A 20 -9.533 -10.258 -28.526 1.00 2.35 C ATOM 307 OD1 ASN A 20 -9.477 -9.443 -29.446 1.00 4.13 O ATOM 308 ND2 ASN A 20 -10.532 -11.122 -28.392 1.00 52.44 N ATOM 0 H ASN A 20 -8.487 -11.951 -25.586 1.00 14.21 H new ATOM 0 HA ASN A 20 -7.943 -12.195 -28.407 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -8.881 -10.175 -26.489 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -7.739 -9.503 -27.635 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -11.295 -11.128 -29.068 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -10.536 -11.780 -27.613 1.00 52.44 H new ATOM 315 N GLY A 21 -5.601 -11.271 -26.313 1.00 50.52 N ATOM 316 CA GLY A 21 -4.175 -11.025 -26.203 1.00 62.51 C ATOM 317 C GLY A 21 -3.359 -12.300 -26.274 1.00 11.23 C ATOM 318 O GLY A 21 -2.976 -12.758 -27.350 1.00 25.24 O ATOM 0 H GLY A 21 -6.094 -11.340 -25.423 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -3.863 -10.353 -27.002 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -3.969 -10.517 -25.261 1.00 62.51 H new ATOM 322 N PRO A 22 -3.080 -12.894 -25.104 1.00 62.45 N ATOM 323 CA PRO A 22 -2.300 -14.132 -25.011 1.00 23.24 C ATOM 324 C PRO A 22 -3.059 -15.338 -25.555 1.00 51.52 C ATOM 325 O PRO A 22 -4.100 -15.191 -26.196 1.00 44.23 O ATOM 326 CB PRO A 22 -2.057 -14.287 -23.508 1.00 44.15 C ATOM 327 CG PRO A 22 -3.182 -13.552 -22.866 1.00 54.42 C ATOM 328 CD PRO A 22 -3.505 -12.405 -23.782 1.00 52.42 C ATOM 0 HA PRO A 22 -1.385 -14.082 -25.601 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -2.051 -15.337 -23.214 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -1.093 -13.869 -23.217 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -4.047 -14.201 -22.734 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -2.899 -13.193 -21.876 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -4.568 -12.164 -23.765 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -2.969 -11.500 -23.497 1.00 52.42 H new ATOM 336 N ARG A 23 -2.532 -16.530 -25.295 1.00 3.14 N ATOM 337 CA ARG A 23 -3.159 -17.761 -25.760 1.00 53.14 C ATOM 338 C ARG A 23 -2.904 -18.904 -24.782 1.00 53.31 C ATOM 339 O ARG A 23 -2.050 -18.803 -23.901 1.00 11.32 O ATOM 340 CB ARG A 23 -2.634 -18.134 -27.147 1.00 65.52 C ATOM 341 CG ARG A 23 -3.217 -17.288 -28.267 1.00 43.32 C ATOM 342 CD ARG A 23 -4.729 -17.427 -28.341 1.00 4.23 C ATOM 343 NE ARG A 23 -5.167 -17.955 -29.631 1.00 13.13 N ATOM 344 CZ ARG A 23 -5.224 -17.229 -30.741 1.00 63.53 C ATOM 345 NH1 ARG A 23 -4.874 -15.951 -30.720 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -5.634 -17.780 -31.877 1.00 32.33 N ATOM 0 H ARG A 23 -1.672 -16.669 -24.765 1.00 3.14 H new ATOM 0 HA ARG A 23 -4.234 -17.591 -25.821 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -1.549 -18.033 -27.154 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -2.858 -19.183 -27.341 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -2.954 -16.242 -28.109 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -2.776 -17.587 -29.218 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -5.072 -18.087 -27.544 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -5.191 -16.455 -28.171 1.00 4.23 H new ATOM 0 HE ARG A 23 -5.444 -18.935 -29.682 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -4.560 -15.523 -29.849 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -4.919 -15.396 -31.575 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -5.906 -18.763 -31.898 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -5.677 -17.221 -32.729 1.00 32.33 H new ATOM 360 N LYS A 24 -3.650 -19.991 -24.942 1.00 71.13 N ATOM 361 CA LYS A 24 -3.505 -21.155 -24.075 1.00 41.04 C ATOM 362 C LYS A 24 -2.035 -21.525 -23.903 1.00 22.22 C ATOM 363 O LYS A 24 -1.385 -21.982 -24.844 1.00 21.24 O ATOM 364 CB LYS A 24 -4.277 -22.344 -24.651 1.00 44.53 C ATOM 365 CG LYS A 24 -3.678 -22.897 -25.932 1.00 62.53 C ATOM 366 CD LYS A 24 -4.753 -23.408 -26.875 1.00 63.55 C ATOM 367 CE LYS A 24 -5.203 -24.812 -26.501 1.00 34.31 C ATOM 368 NZ LYS A 24 -6.137 -25.383 -27.509 1.00 63.14 N1+ ATOM 0 H LYS A 24 -4.362 -20.091 -25.665 1.00 71.13 H new ATOM 0 HA LYS A 24 -3.915 -20.903 -23.097 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -4.314 -23.138 -23.905 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -5.306 -22.039 -24.843 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -3.097 -22.120 -26.428 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -2.988 -23.706 -25.692 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -5.608 -22.733 -26.853 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -4.373 -23.407 -27.896 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -4.331 -25.459 -26.406 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -5.691 -24.789 -25.526 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -6.420 -26.340 -27.217 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -6.981 -24.780 -27.581 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -5.664 -25.429 -28.434 1.00 63.14 H new ATOM 382 N VAL A 25 -1.517 -21.325 -22.695 1.00 32.25 N ATOM 383 CA VAL A 25 -0.125 -21.641 -22.399 1.00 72.11 C ATOM 384 C VAL A 25 -0.021 -22.706 -21.314 1.00 51.12 C ATOM 385 O VAL A 25 -1.020 -23.078 -20.695 1.00 43.45 O ATOM 386 CB VAL A 25 0.650 -20.388 -21.949 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.812 -19.415 -23.107 1.00 11.11 C ATOM 388 CG2 VAL A 25 -0.050 -19.722 -20.775 1.00 3.14 C ATOM 0 H VAL A 25 -2.040 -20.946 -21.906 1.00 32.25 H new ATOM 0 HA VAL A 25 0.316 -22.022 -23.320 1.00 72.11 H new ATOM 0 HB VAL A 25 1.644 -20.695 -21.623 1.00 34.14 H new ATOM 0 HG11 VAL A 25 1.362 -18.536 -22.770 1.00 11.11 H new ATOM 0 HG12 VAL A 25 1.361 -19.899 -23.915 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.171 -19.112 -23.468 1.00 11.11 H new ATOM 0 HG21 VAL A 25 0.511 -18.839 -20.470 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -1.057 -19.428 -21.071 1.00 3.14 H new ATOM 0 HG23 VAL A 25 -0.107 -20.421 -19.941 1.00 3.14 H new ATOM 398 N LEU A 26 1.193 -23.195 -21.086 1.00 52.13 N ATOM 399 CA LEU A 26 1.428 -24.219 -20.074 1.00 53.31 C ATOM 400 C LEU A 26 2.735 -23.960 -19.331 1.00 41.52 C ATOM 401 O LEU A 26 3.784 -23.778 -19.946 1.00 23.31 O ATOM 402 CB LEU A 26 1.461 -25.605 -20.719 1.00 34.22 C ATOM 403 CG LEU A 26 0.171 -26.055 -21.407 1.00 5.53 C ATOM 404 CD1 LEU A 26 0.070 -25.450 -22.799 1.00 50.53 C ATOM 405 CD2 LEU A 26 0.107 -27.573 -21.478 1.00 1.25 C ATOM 0 H LEU A 26 2.030 -22.899 -21.588 1.00 52.13 H new ATOM 0 HA LEU A 26 0.609 -24.179 -19.356 1.00 53.31 H new ATOM 0 HB2 LEU A 26 2.266 -25.623 -21.453 1.00 34.22 H new ATOM 0 HB3 LEU A 26 1.714 -26.336 -19.951 1.00 34.22 H new ATOM 0 HG LEU A 26 -0.675 -25.702 -20.817 1.00 5.53 H new ATOM 0 HD11 LEU A 26 -0.854 -25.781 -23.273 1.00 50.53 H new ATOM 0 HD12 LEU A 26 0.070 -24.363 -22.724 1.00 50.53 H new ATOM 0 HD13 LEU A 26 0.921 -25.772 -23.398 1.00 50.53 H new ATOM 0 HD21 LEU A 26 -0.817 -27.876 -21.970 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.960 -27.947 -22.045 1.00 1.25 H new ATOM 0 HD23 LEU A 26 0.133 -27.986 -20.470 1.00 1.25 H new ATOM 417 N GLY A 27 2.664 -23.948 -18.003 1.00 11.13 N ATOM 418 CA GLY A 27 3.848 -23.712 -17.199 1.00 74.50 C ATOM 419 C GLY A 27 3.535 -22.996 -15.900 1.00 72.22 C ATOM 420 O GLY A 27 2.369 -22.781 -15.568 1.00 33.15 O ATOM 0 H GLY A 27 1.807 -24.098 -17.470 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.329 -24.665 -16.978 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.561 -23.121 -17.773 1.00 74.50 H new ATOM 424 N VAL A 28 4.577 -22.628 -15.163 1.00 0.31 N ATOM 425 CA VAL A 28 4.408 -21.932 -13.894 1.00 11.43 C ATOM 426 C VAL A 28 5.488 -20.873 -13.698 1.00 12.21 C ATOM 427 O VAL A 28 6.576 -20.968 -14.267 1.00 72.43 O ATOM 428 CB VAL A 28 4.446 -22.913 -12.706 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.715 -22.328 -11.507 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.848 -24.253 -13.104 1.00 65.50 C ATOM 0 H VAL A 28 5.548 -22.800 -15.423 1.00 0.31 H new ATOM 0 HA VAL A 28 3.431 -21.449 -13.927 1.00 11.43 H new ATOM 0 HB VAL A 28 5.486 -23.075 -12.423 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.752 -23.035 -10.678 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.193 -21.394 -11.210 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.676 -22.135 -11.773 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.883 -24.934 -12.254 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.813 -24.112 -13.414 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.419 -24.675 -13.930 1.00 65.50 H new ATOM 440 N PHE A 29 5.180 -19.863 -12.890 1.00 21.24 N ATOM 441 CA PHE A 29 6.125 -18.785 -12.620 1.00 24.31 C ATOM 442 C PHE A 29 6.408 -18.674 -11.125 1.00 74.32 C ATOM 443 O PHE A 29 5.512 -18.841 -10.299 1.00 14.41 O ATOM 444 CB PHE A 29 5.579 -17.458 -13.147 1.00 62.43 C ATOM 445 CG PHE A 29 5.385 -17.438 -14.636 1.00 74.23 C ATOM 446 CD1 PHE A 29 6.330 -17.998 -15.479 1.00 73.12 C ATOM 447 CD2 PHE A 29 4.256 -16.858 -15.194 1.00 0.33 C ATOM 448 CE1 PHE A 29 6.155 -17.982 -16.850 1.00 43.11 C ATOM 449 CE2 PHE A 29 4.074 -16.840 -16.564 1.00 64.12 C ATOM 450 CZ PHE A 29 5.026 -17.401 -17.392 1.00 52.54 C ATOM 0 H PHE A 29 4.284 -19.769 -12.411 1.00 21.24 H new ATOM 0 HA PHE A 29 7.059 -19.015 -13.133 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.626 -17.248 -12.662 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.262 -16.656 -12.867 1.00 62.43 H new ATOM 0 HD1 PHE A 29 7.215 -18.453 -15.060 1.00 73.12 H new ATOM 0 HD2 PHE A 29 3.510 -16.415 -14.551 1.00 0.33 H new ATOM 0 HE1 PHE A 29 6.900 -18.423 -17.496 1.00 43.11 H new ATOM 0 HE2 PHE A 29 3.189 -16.388 -16.986 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.887 -17.385 -18.463 1.00 52.54 H new ATOM 460 N GLN A 30 7.663 -18.391 -10.787 1.00 73.10 N ATOM 461 CA GLN A 30 8.065 -18.259 -9.391 1.00 2.03 C ATOM 462 C GLN A 30 8.686 -16.890 -9.132 1.00 32.14 C ATOM 463 O GLN A 30 9.884 -16.691 -9.336 1.00 10.04 O ATOM 464 CB GLN A 30 9.059 -19.361 -9.018 1.00 11.10 C ATOM 465 CG GLN A 30 9.506 -19.312 -7.567 1.00 21.52 C ATOM 466 CD GLN A 30 8.360 -19.516 -6.596 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.441 -20.290 -6.857 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.410 -18.819 -5.466 1.00 1.20 N ATOM 0 H GLN A 30 8.417 -18.249 -11.459 1.00 73.10 H new ATOM 0 HA GLN A 30 7.174 -18.358 -8.771 1.00 2.03 H new ATOM 0 HB2 GLN A 30 8.604 -20.331 -9.217 1.00 11.10 H new ATOM 0 HB3 GLN A 30 9.935 -19.282 -9.662 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.262 -20.079 -7.398 1.00 21.52 H new ATOM 0 HG3 GLN A 30 9.978 -18.350 -7.369 1.00 21.52 H new ATOM 0 HE21 GLN A 30 9.192 -18.188 -5.290 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.667 -18.915 -4.774 1.00 1.20 H new ATOM 477 N LEU A 31 7.862 -15.950 -8.680 1.00 65.02 N ATOM 478 CA LEU A 31 8.330 -14.598 -8.393 1.00 54.50 C ATOM 479 C LEU A 31 8.992 -14.531 -7.021 1.00 53.24 C ATOM 480 O LEU A 31 8.432 -14.993 -6.027 1.00 13.04 O ATOM 481 CB LEU A 31 7.165 -13.610 -8.457 1.00 52.25 C ATOM 482 CG LEU A 31 7.245 -12.414 -7.507 1.00 62.25 C ATOM 483 CD1 LEU A 31 8.483 -11.582 -7.801 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.988 -11.563 -7.615 1.00 64.43 C ATOM 0 H LEU A 31 6.868 -16.099 -8.505 1.00 65.02 H new ATOM 0 HA LEU A 31 9.070 -14.328 -9.147 1.00 54.50 H new ATOM 0 HB2 LEU A 31 7.090 -13.234 -9.477 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.243 -14.153 -8.249 1.00 52.25 H new ATOM 0 HG LEU A 31 7.319 -12.788 -6.486 1.00 62.25 H new ATOM 0 HD11 LEU A 31 8.524 -10.735 -7.116 1.00 62.41 H new ATOM 0 HD12 LEU A 31 9.374 -12.197 -7.672 1.00 62.41 H new ATOM 0 HD13 LEU A 31 8.440 -11.216 -8.827 1.00 62.41 H new ATOM 0 HD21 LEU A 31 6.062 -10.717 -6.932 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.883 -11.197 -8.636 1.00 64.43 H new ATOM 0 HD23 LEU A 31 5.118 -12.165 -7.354 1.00 64.43 H new ATOM 496 N ASN A 32 10.188 -13.953 -6.973 1.00 55.44 N ATOM 497 CA ASN A 32 10.926 -13.825 -5.722 1.00 63.23 C ATOM 498 C ASN A 32 11.335 -12.375 -5.477 1.00 53.21 C ATOM 499 O ASN A 32 12.207 -11.841 -6.163 1.00 30.12 O ATOM 500 CB ASN A 32 12.168 -14.718 -5.744 1.00 15.22 C ATOM 501 CG ASN A 32 11.840 -16.155 -6.101 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.628 -16.992 -5.224 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.795 -16.447 -7.397 1.00 41.33 N ATOM 0 H ASN A 32 10.667 -13.566 -7.786 1.00 55.44 H new ATOM 0 HA ASN A 32 10.272 -14.143 -4.910 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.884 -14.322 -6.464 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.650 -14.690 -4.767 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.578 -17.397 -7.699 1.00 41.33 H new ATOM 0 HD22 ASN A 32 11.978 -15.721 -8.090 1.00 41.33 H new ATOM 510 N ILE A 33 10.697 -11.745 -4.496 1.00 31.21 N ATOM 511 CA ILE A 33 10.995 -10.358 -4.161 1.00 31.14 C ATOM 512 C ILE A 33 11.985 -10.272 -3.004 1.00 52.44 C ATOM 513 O ILE A 33 11.819 -10.935 -1.980 1.00 11.10 O ATOM 514 CB ILE A 33 9.718 -9.582 -3.788 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.668 -9.724 -4.891 1.00 12.13 C ATOM 516 CG2 ILE A 33 10.041 -8.116 -3.541 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.766 -10.927 -4.716 1.00 72.22 C ATOM 0 H ILE A 33 9.972 -12.172 -3.920 1.00 31.21 H new ATOM 0 HA ILE A 33 11.438 -9.907 -5.049 1.00 31.14 H new ATOM 0 HB ILE A 33 9.311 -10.003 -2.869 1.00 13.11 H new ATOM 0 HG12 ILE A 33 8.056 -8.822 -4.917 1.00 12.13 H new ATOM 0 HG13 ILE A 33 9.172 -9.795 -5.855 1.00 12.13 H new ATOM 0 HG21 ILE A 33 9.128 -7.581 -3.279 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.757 -8.034 -2.724 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.469 -7.681 -4.444 1.00 60.34 H new ATOM 0 HD11 ILE A 33 7.047 -10.964 -5.534 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.367 -11.836 -4.720 1.00 72.22 H new ATOM 0 HD13 ILE A 33 7.234 -10.848 -3.768 1.00 72.22 H new ATOM 529 N LYS A 34 13.015 -9.450 -3.172 1.00 22.24 N ATOM 530 CA LYS A 34 14.031 -9.274 -2.142 1.00 23.21 C ATOM 531 C LYS A 34 13.556 -8.298 -1.070 1.00 44.34 C ATOM 532 O LYS A 34 12.848 -7.334 -1.364 1.00 15.11 O ATOM 533 CB LYS A 34 15.335 -8.770 -2.764 1.00 53.34 C ATOM 534 CG LYS A 34 15.426 -7.256 -2.842 1.00 41.43 C ATOM 535 CD LYS A 34 16.181 -6.806 -4.082 1.00 33.21 C ATOM 536 CE LYS A 34 17.600 -6.376 -3.745 1.00 40.23 C ATOM 537 NZ LYS A 34 17.674 -4.927 -3.406 1.00 30.42 N1+ ATOM 0 H LYS A 34 13.168 -8.894 -4.014 1.00 22.24 H new ATOM 0 HA LYS A 34 14.209 -10.242 -1.674 1.00 23.21 H new ATOM 0 HB2 LYS A 34 16.175 -9.147 -2.181 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.433 -9.184 -3.768 1.00 53.34 H new ATOM 0 HG2 LYS A 34 14.423 -6.830 -2.851 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.926 -6.874 -1.952 1.00 41.43 H new ATOM 0 HD2 LYS A 34 16.209 -7.619 -4.807 1.00 33.21 H new ATOM 0 HD3 LYS A 34 15.651 -5.978 -4.552 1.00 33.21 H new ATOM 0 HE2 LYS A 34 17.968 -6.965 -2.905 1.00 40.23 H new ATOM 0 HE3 LYS A 34 18.254 -6.585 -4.592 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 18.657 -4.673 -3.182 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 17.346 -4.364 -4.217 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 17.070 -4.732 -2.582 1.00 30.42 H new ATOM 551 N THR A 35 13.949 -8.554 0.173 1.00 41.14 N ATOM 552 CA THR A 35 13.565 -7.698 1.288 1.00 62.04 C ATOM 553 C THR A 35 14.657 -7.654 2.351 1.00 21.21 C ATOM 554 O THR A 35 15.554 -8.496 2.367 1.00 42.41 O ATOM 555 CB THR A 35 12.252 -8.178 1.937 1.00 73.14 C ATOM 556 OG1 THR A 35 12.313 -7.996 3.357 1.00 74.33 O ATOM 557 CG2 THR A 35 11.994 -9.642 1.619 1.00 21.11 C ATOM 0 H THR A 35 14.534 -9.348 0.433 1.00 41.14 H new ATOM 0 HA THR A 35 13.418 -6.697 0.882 1.00 62.04 H new ATOM 0 HB THR A 35 11.433 -7.585 1.529 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.475 -8.302 3.762 1.00 74.33 H new ATOM 0 HG21 THR A 35 11.062 -9.957 2.088 1.00 21.11 H new ATOM 0 HG22 THR A 35 11.919 -9.772 0.539 1.00 21.11 H new ATOM 0 HG23 THR A 35 12.816 -10.248 2.001 1.00 21.11 H new ATOM 565 N ALA A 36 14.574 -6.667 3.237 1.00 32.44 N ATOM 566 CA ALA A 36 15.556 -6.515 4.305 1.00 70.24 C ATOM 567 C ALA A 36 15.517 -7.704 5.259 1.00 54.21 C ATOM 568 O ALA A 36 16.424 -7.893 6.068 1.00 10.51 O ATOM 569 CB ALA A 36 15.313 -5.219 5.064 1.00 11.33 C ATOM 0 H ALA A 36 13.838 -5.961 3.237 1.00 32.44 H new ATOM 0 HA ALA A 36 16.547 -6.478 3.852 1.00 70.24 H new ATOM 0 HB1 ALA A 36 16.053 -5.118 5.858 1.00 11.33 H new ATOM 0 HB2 ALA A 36 15.398 -4.375 4.379 1.00 11.33 H new ATOM 0 HB3 ALA A 36 14.314 -5.234 5.499 1.00 11.33 H new ATOM 575 N SER A 37 14.459 -8.503 5.158 1.00 12.43 N ATOM 576 CA SER A 37 14.299 -9.672 6.016 1.00 24.12 C ATOM 577 C SER A 37 14.469 -10.960 5.216 1.00 71.45 C ATOM 578 O SER A 37 14.037 -12.030 5.642 1.00 35.33 O ATOM 579 CB SER A 37 12.926 -9.654 6.689 1.00 74.34 C ATOM 580 OG SER A 37 13.048 -9.512 8.093 1.00 31.32 O ATOM 0 H SER A 37 13.700 -8.362 4.491 1.00 12.43 H new ATOM 0 HA SER A 37 15.072 -9.636 6.784 1.00 24.12 H new ATOM 0 HB2 SER A 37 12.332 -8.833 6.288 1.00 74.34 H new ATOM 0 HB3 SER A 37 12.393 -10.576 6.459 1.00 74.34 H new ATOM 0 HG SER A 37 12.156 -9.502 8.499 1.00 31.32 H new ATOM 586 N GLY A 38 15.104 -10.847 4.053 1.00 20.32 N ATOM 587 CA GLY A 38 15.321 -12.010 3.211 1.00 11.02 C ATOM 588 C GLY A 38 14.675 -11.866 1.847 1.00 44.13 C ATOM 589 O GLY A 38 14.882 -10.867 1.155 1.00 2.10 O ATOM 0 H GLY A 38 15.472 -9.972 3.679 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.392 -12.171 3.087 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.921 -12.894 3.708 1.00 11.02 H new ATOM 593 N VAL A 39 13.892 -12.865 1.456 1.00 25.01 N ATOM 594 CA VAL A 39 13.215 -12.847 0.165 1.00 53.13 C ATOM 595 C VAL A 39 11.837 -13.494 0.257 1.00 4.40 C ATOM 596 O VAL A 39 11.668 -14.524 0.909 1.00 12.03 O ATOM 597 CB VAL A 39 14.040 -13.573 -0.913 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.941 -15.081 -0.735 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.581 -13.161 -2.304 1.00 44.20 C ATOM 0 H VAL A 39 13.710 -13.698 2.015 1.00 25.01 H new ATOM 0 HA VAL A 39 13.103 -11.800 -0.118 1.00 53.13 H new ATOM 0 HB VAL A 39 15.085 -13.285 -0.801 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.530 -15.578 -1.506 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.323 -15.357 0.248 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.899 -15.390 -0.820 1.00 45.01 H new ATOM 0 HG21 VAL A 39 14.175 -13.684 -3.053 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.529 -13.418 -2.431 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.709 -12.085 -2.426 1.00 44.20 H new ATOM 609 N GLU A 40 10.857 -12.883 -0.401 1.00 32.42 N ATOM 610 CA GLU A 40 9.493 -13.401 -0.392 1.00 60.10 C ATOM 611 C GLU A 40 9.215 -14.223 -1.648 1.00 42.53 C ATOM 612 O GLU A 40 9.279 -13.709 -2.764 1.00 20.13 O ATOM 613 CB GLU A 40 8.489 -12.252 -0.289 1.00 24.13 C ATOM 614 CG GLU A 40 8.883 -11.188 0.722 1.00 11.04 C ATOM 615 CD GLU A 40 7.811 -10.130 0.903 1.00 24.31 C ATOM 616 OE1 GLU A 40 6.753 -10.240 0.248 1.00 60.43 O ATOM 617 OE2 GLU A 40 8.030 -9.194 1.700 1.00 55.13 O1- ATOM 0 H GLU A 40 10.981 -12.030 -0.946 1.00 32.42 H new ATOM 0 HA GLU A 40 9.383 -14.049 0.477 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.380 -11.787 -1.269 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.514 -12.656 -0.017 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.086 -11.662 1.682 1.00 11.04 H new ATOM 0 HG3 GLU A 40 9.809 -10.711 0.400 1.00 11.04 H new ATOM 624 N GLN A 41 8.909 -15.501 -1.455 1.00 42.11 N ATOM 625 CA GLN A 41 8.623 -16.395 -2.571 1.00 75.52 C ATOM 626 C GLN A 41 7.151 -16.323 -2.963 1.00 53.35 C ATOM 627 O GLN A 41 6.290 -16.042 -2.128 1.00 61.42 O ATOM 628 CB GLN A 41 8.997 -17.832 -2.210 1.00 53.24 C ATOM 629 CG GLN A 41 10.345 -17.955 -1.519 1.00 24.20 C ATOM 630 CD GLN A 41 11.253 -18.970 -2.185 1.00 1.24 C ATOM 631 OE1 GLN A 41 11.114 -20.176 -1.975 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.189 -18.487 -2.994 1.00 4.21 N ATOM 0 H GLN A 41 8.853 -15.941 -0.537 1.00 42.11 H new ATOM 0 HA GLN A 41 9.223 -16.075 -3.423 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.226 -18.247 -1.561 1.00 53.24 H new ATOM 0 HB3 GLN A 41 9.007 -18.435 -3.118 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.836 -16.982 -1.514 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.191 -18.239 -0.478 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.268 -17.480 -3.139 1.00 4.21 H new ATOM 0 HE22 GLN A 41 12.829 -19.123 -3.470 1.00 4.21 H new ATOM 641 N TRP A 42 6.868 -16.577 -4.235 1.00 43.02 N ATOM 642 CA TRP A 42 5.499 -16.540 -4.737 1.00 5.44 C ATOM 643 C TRP A 42 5.332 -17.473 -5.931 1.00 60.44 C ATOM 644 O TRP A 42 6.262 -17.665 -6.716 1.00 11.52 O ATOM 645 CB TRP A 42 5.117 -15.112 -5.131 1.00 34.30 C ATOM 646 CG TRP A 42 5.078 -14.166 -3.970 1.00 73.05 C ATOM 647 CD1 TRP A 42 6.103 -13.390 -3.510 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.956 -13.897 -3.121 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.688 -12.655 -2.427 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.375 -12.947 -2.169 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.641 -14.364 -3.075 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.522 -12.459 -1.182 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.796 -13.879 -2.095 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.239 -12.934 -1.159 1.00 22.13 C ATOM 0 H TRP A 42 7.569 -16.811 -4.938 1.00 43.02 H new ATOM 0 HA TRP A 42 4.837 -16.879 -3.940 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.831 -14.743 -5.868 1.00 34.30 H new ATOM 0 HB3 TRP A 42 4.139 -15.125 -5.613 1.00 34.30 H new ATOM 0 HD1 TRP A 42 7.095 -13.359 -3.936 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.264 -11.998 -1.900 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.291 -15.091 -3.792 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.861 -11.731 -0.460 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.777 -14.234 -2.049 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.554 -12.574 -0.405 1.00 22.13 H new ATOM 665 N ILE A 43 4.143 -18.051 -6.064 1.00 22.22 N ATOM 666 CA ILE A 43 3.855 -18.962 -7.163 1.00 14.53 C ATOM 667 C ILE A 43 2.719 -18.435 -8.032 1.00 73.12 C ATOM 668 O ILE A 43 1.610 -18.203 -7.550 1.00 34.33 O ATOM 669 CB ILE A 43 3.484 -20.366 -6.649 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.595 -20.915 -5.752 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.225 -21.306 -7.817 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.165 -21.125 -4.318 1.00 2.14 C ATOM 0 H ILE A 43 3.363 -17.904 -5.423 1.00 22.22 H new ATOM 0 HA ILE A 43 4.764 -19.031 -7.761 1.00 14.53 H new ATOM 0 HB ILE A 43 2.571 -20.291 -6.059 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.945 -21.863 -6.160 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.440 -20.227 -5.772 1.00 31.22 H new ATOM 0 HG21 ILE A 43 2.964 -22.294 -7.438 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.403 -20.920 -8.420 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.122 -21.379 -8.432 1.00 31.11 H new ATOM 0 HD11 ILE A 43 5.003 -21.516 -3.740 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.842 -20.175 -3.892 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.340 -21.836 -4.286 1.00 2.14 H new ATOM 684 N VAL A 44 3.001 -18.247 -9.317 1.00 32.54 N ATOM 685 CA VAL A 44 2.002 -17.749 -10.256 1.00 1.41 C ATOM 686 C VAL A 44 1.916 -18.638 -11.490 1.00 62.00 C ATOM 687 O VAL A 44 2.778 -18.583 -12.369 1.00 64.24 O ATOM 688 CB VAL A 44 2.315 -16.307 -10.695 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.530 -15.310 -9.856 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.808 -16.034 -10.604 1.00 14.24 C ATOM 0 H VAL A 44 3.914 -18.432 -9.732 1.00 32.54 H new ATOM 0 HA VAL A 44 1.044 -17.762 -9.736 1.00 1.41 H new ATOM 0 HB VAL A 44 2.010 -16.189 -11.735 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.765 -14.296 -10.181 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.462 -15.492 -9.978 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.800 -15.426 -8.806 1.00 0.24 H new ATOM 0 HG21 VAL A 44 4.010 -15.010 -10.918 1.00 14.24 H new ATOM 0 HG22 VAL A 44 4.141 -16.170 -9.575 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.345 -16.726 -11.254 1.00 14.24 H new ATOM 700 N ASP A 45 0.872 -19.457 -11.552 1.00 45.32 N ATOM 701 CA ASP A 45 0.672 -20.358 -12.681 1.00 21.31 C ATOM 702 C ASP A 45 -0.039 -19.644 -13.826 1.00 43.53 C ATOM 703 O ASP A 45 -0.849 -18.744 -13.602 1.00 12.42 O ATOM 704 CB ASP A 45 -0.134 -21.583 -12.247 1.00 64.12 C ATOM 705 CG ASP A 45 -0.676 -22.367 -13.426 1.00 63.33 C ATOM 706 OD1 ASP A 45 -1.888 -22.671 -13.430 1.00 21.05 O ATOM 707 OD2 ASP A 45 0.111 -22.676 -14.345 1.00 51.12 O1- ATOM 0 H ASP A 45 0.151 -19.516 -10.833 1.00 45.32 H new ATOM 0 HA ASP A 45 1.651 -20.684 -13.032 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.497 -22.233 -11.641 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.963 -21.264 -11.615 1.00 64.12 H new ATOM 712 N LEU A 46 0.268 -20.052 -15.053 1.00 52.01 N ATOM 713 CA LEU A 46 -0.341 -19.451 -16.234 1.00 33.22 C ATOM 714 C LEU A 46 -1.434 -20.353 -16.801 1.00 13.22 C ATOM 715 O LEU A 46 -2.277 -19.909 -17.582 1.00 72.41 O ATOM 716 CB LEU A 46 0.722 -19.186 -17.302 1.00 61.21 C ATOM 717 CG LEU A 46 1.864 -20.200 -17.378 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.407 -20.285 -18.795 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.970 -19.830 -16.402 1.00 32.43 C ATOM 0 H LEU A 46 0.935 -20.797 -15.255 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.793 -18.504 -15.938 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.230 -19.149 -18.274 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.150 -18.200 -17.123 1.00 61.21 H new ATOM 0 HG LEU A 46 1.475 -21.180 -17.101 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.219 -21.011 -18.831 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.611 -20.597 -19.471 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.781 -19.308 -19.101 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.775 -20.562 -16.469 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.357 -18.841 -16.649 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.572 -19.821 -15.387 1.00 32.43 H new ATOM 731 N LYS A 47 -1.415 -21.619 -16.401 1.00 32.14 N ATOM 732 CA LYS A 47 -2.406 -22.584 -16.865 1.00 73.41 C ATOM 733 C LYS A 47 -3.801 -22.210 -16.375 1.00 25.15 C ATOM 734 O LYS A 47 -4.756 -22.191 -17.151 1.00 30.54 O ATOM 735 CB LYS A 47 -2.044 -23.990 -16.384 1.00 12.14 C ATOM 736 CG LYS A 47 -0.882 -24.612 -17.138 1.00 71.22 C ATOM 737 CD LYS A 47 -0.871 -26.124 -16.998 1.00 44.04 C ATOM 738 CE LYS A 47 0.461 -26.626 -16.462 1.00 52.41 C ATOM 739 NZ LYS A 47 0.404 -28.068 -16.095 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.724 -22.002 -15.756 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.407 -22.570 -17.955 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -1.797 -23.949 -15.323 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.917 -24.635 -16.484 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.946 -24.344 -18.193 1.00 71.22 H new ATOM 0 HG3 LYS A 47 0.056 -24.204 -16.762 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.674 -26.434 -16.329 1.00 44.04 H new ATOM 0 HD3 LYS A 47 -1.070 -26.581 -17.967 1.00 44.04 H new ATOM 0 HE2 LYS A 47 1.236 -26.473 -17.213 1.00 52.41 H new ATOM 0 HE3 LYS A 47 0.745 -26.040 -15.588 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 1.331 -28.371 -15.734 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 -0.317 -28.211 -15.360 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 0.158 -28.630 -16.935 1.00 64.34 H new ATOM 753 N GLN A 48 -3.909 -21.911 -15.084 1.00 45.21 N ATOM 754 CA GLN A 48 -5.187 -21.538 -14.492 1.00 10.22 C ATOM 755 C GLN A 48 -5.191 -20.068 -14.085 1.00 4.23 C ATOM 756 O GLN A 48 -6.208 -19.538 -13.638 1.00 2.01 O ATOM 757 CB GLN A 48 -5.487 -22.416 -13.276 1.00 63.24 C ATOM 758 CG GLN A 48 -5.588 -23.896 -13.605 1.00 72.31 C ATOM 759 CD GLN A 48 -6.041 -24.729 -12.421 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.221 -25.058 -12.296 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.105 -25.072 -11.545 1.00 43.10 N ATOM 0 H GLN A 48 -3.127 -21.920 -14.429 1.00 45.21 H new ATOM 0 HA GLN A 48 -5.963 -21.691 -15.242 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -4.705 -22.270 -12.531 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.423 -22.088 -12.823 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.287 -24.034 -14.430 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.617 -24.255 -13.947 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.139 -24.777 -11.689 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -5.351 -25.631 -10.728 1.00 43.10 H new ATOM 770 N LEU A 49 -4.044 -19.414 -14.242 1.00 40.44 N ATOM 771 CA LEU A 49 -3.914 -18.004 -13.891 1.00 12.54 C ATOM 772 C LEU A 49 -4.238 -17.778 -12.419 1.00 71.02 C ATOM 773 O LEU A 49 -5.159 -17.033 -12.081 1.00 2.15 O ATOM 774 CB LEU A 49 -4.836 -17.153 -14.765 1.00 75.10 C ATOM 775 CG LEU A 49 -4.494 -17.103 -16.255 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.010 -16.834 -16.451 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.897 -18.401 -16.938 1.00 22.10 C ATOM 0 H LEU A 49 -3.192 -19.838 -14.610 1.00 40.44 H new ATOM 0 HA LEU A 49 -2.881 -17.705 -14.067 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -5.853 -17.530 -14.659 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -4.832 -16.134 -14.378 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.055 -16.287 -16.711 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -2.784 -16.802 -17.517 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -2.750 -15.878 -15.996 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.431 -17.629 -15.981 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -4.646 -18.348 -17.997 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -4.363 -19.234 -16.480 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -5.971 -18.553 -16.826 1.00 22.10 H new ATOM 789 N LYS A 50 -3.474 -18.422 -11.543 1.00 54.03 N ATOM 790 CA LYS A 50 -3.676 -18.289 -10.106 1.00 73.12 C ATOM 791 C LYS A 50 -2.425 -17.740 -9.429 1.00 13.13 C ATOM 792 O LYS A 50 -1.421 -17.467 -10.085 1.00 33.05 O ATOM 793 CB LYS A 50 -4.047 -19.643 -9.494 1.00 23.41 C ATOM 794 CG LYS A 50 -3.197 -20.794 -10.006 1.00 12.24 C ATOM 795 CD LYS A 50 -3.732 -22.135 -9.532 1.00 71.24 C ATOM 796 CE LYS A 50 -3.058 -22.580 -8.243 1.00 14.43 C ATOM 797 NZ LYS A 50 -3.575 -23.895 -7.773 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.708 -19.042 -11.805 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.494 -17.587 -9.943 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -3.947 -19.582 -8.410 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.095 -19.854 -9.706 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.175 -20.775 -11.096 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.170 -20.669 -9.664 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -4.808 -22.064 -9.375 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -3.572 -22.886 -10.306 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -1.982 -22.648 -8.401 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.220 -21.829 -7.470 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -3.091 -24.164 -6.892 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -4.598 -23.824 -7.598 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -3.398 -24.618 -8.500 1.00 41.23 H new ATOM 811 N VAL A 51 -2.493 -17.580 -8.111 1.00 11.01 N ATOM 812 CA VAL A 51 -1.365 -17.065 -7.344 1.00 51.13 C ATOM 813 C VAL A 51 -1.307 -17.697 -5.958 1.00 24.24 C ATOM 814 O VAL A 51 -2.338 -18.023 -5.370 1.00 11.33 O ATOM 815 CB VAL A 51 -1.439 -15.534 -7.195 1.00 74.54 C ATOM 816 CG1 VAL A 51 -0.165 -14.996 -6.562 1.00 60.22 C ATOM 817 CG2 VAL A 51 -1.691 -14.879 -8.545 1.00 51.31 C ATOM 0 H VAL A 51 -3.318 -17.800 -7.552 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.462 -17.326 -7.897 1.00 51.13 H new ATOM 0 HB VAL A 51 -2.273 -15.291 -6.537 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -0.236 -13.913 -6.465 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -0.033 -15.441 -5.576 1.00 60.22 H new ATOM 0 HG13 VAL A 51 0.689 -15.249 -7.191 1.00 60.22 H new ATOM 0 HG21 VAL A 51 -1.740 -13.797 -8.421 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.879 -15.129 -9.228 1.00 51.31 H new ATOM 0 HG23 VAL A 51 -2.634 -15.241 -8.954 1.00 51.31 H new ATOM 827 N ASP A 52 -0.094 -17.868 -5.442 1.00 34.02 N ATOM 828 CA ASP A 52 0.098 -18.461 -4.123 1.00 10.05 C ATOM 829 C ASP A 52 1.411 -17.994 -3.504 1.00 41.12 C ATOM 830 O ASP A 52 2.251 -17.401 -4.182 1.00 32.23 O ATOM 831 CB ASP A 52 0.079 -19.987 -4.219 1.00 62.44 C ATOM 832 CG ASP A 52 -1.086 -20.502 -5.041 1.00 53.22 C ATOM 833 OD1 ASP A 52 -0.883 -20.800 -6.236 1.00 40.15 O ATOM 834 OD2 ASP A 52 -2.201 -20.606 -4.488 1.00 41.01 O1- ATOM 0 H ASP A 52 0.770 -17.605 -5.916 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.721 -18.135 -3.482 1.00 10.05 H new ATOM 0 HB2 ASP A 52 1.013 -20.332 -4.663 1.00 62.44 H new ATOM 0 HB3 ASP A 52 0.027 -20.410 -3.216 1.00 62.44 H new ATOM 839 N GLN A 53 1.580 -18.263 -2.214 1.00 45.12 N ATOM 840 CA GLN A 53 2.792 -17.869 -1.504 1.00 63.05 C ATOM 841 C GLN A 53 3.801 -19.011 -1.472 1.00 31.52 C ATOM 842 O GLN A 53 3.448 -20.171 -1.682 1.00 43.42 O ATOM 843 CB GLN A 53 2.453 -17.431 -0.078 1.00 21.35 C ATOM 844 CG GLN A 53 2.265 -18.592 0.886 1.00 51.34 C ATOM 845 CD GLN A 53 1.000 -19.380 0.611 1.00 13.11 C ATOM 846 OE1 GLN A 53 -0.039 -19.143 1.229 1.00 31.44 O ATOM 847 NE2 GLN A 53 1.080 -20.324 -0.319 1.00 1.42 N ATOM 0 H GLN A 53 0.894 -18.752 -1.639 1.00 45.12 H new ATOM 0 HA GLN A 53 3.239 -17.030 -2.038 1.00 63.05 H new ATOM 0 HB2 GLN A 53 3.249 -16.786 0.294 1.00 21.35 H new ATOM 0 HB3 GLN A 53 1.541 -16.834 -0.097 1.00 21.35 H new ATOM 0 HG2 GLN A 53 3.125 -19.258 0.819 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.236 -18.211 1.907 1.00 51.34 H new ATOM 0 HE21 GLN A 53 1.961 -20.486 -0.806 1.00 1.42 H new ATOM 0 HE22 GLN A 53 0.260 -20.887 -0.546 1.00 1.42 H new ATOM 856 N GLY A 54 5.060 -18.676 -1.206 1.00 60.23 N ATOM 857 CA GLY A 54 6.101 -19.686 -1.152 1.00 32.11 C ATOM 858 C GLY A 54 6.632 -20.045 -2.524 1.00 61.12 C ATOM 859 O GLY A 54 6.565 -19.242 -3.455 1.00 34.53 O ATOM 0 H GLY A 54 5.378 -17.723 -1.027 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.921 -19.325 -0.531 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.709 -20.582 -0.672 1.00 32.11 H new ATOM 863 N VAL A 55 7.165 -21.257 -2.652 1.00 63.32 N ATOM 864 CA VAL A 55 7.711 -21.721 -3.922 1.00 0.23 C ATOM 865 C VAL A 55 7.028 -23.005 -4.377 1.00 31.05 C ATOM 866 O VAL A 55 6.627 -23.832 -3.558 1.00 13.53 O ATOM 867 CB VAL A 55 9.229 -21.967 -3.824 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.533 -23.009 -2.759 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.787 -22.392 -5.173 1.00 61.54 C ATOM 0 H VAL A 55 7.230 -21.934 -1.892 1.00 63.32 H new ATOM 0 HA VAL A 55 7.524 -20.935 -4.653 1.00 0.23 H new ATOM 0 HB VAL A 55 9.713 -21.035 -3.534 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.610 -23.170 -2.704 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.169 -22.659 -1.793 1.00 35.12 H new ATOM 0 HG13 VAL A 55 9.039 -23.946 -3.015 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.860 -22.562 -5.086 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.299 -23.312 -5.495 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.602 -21.607 -5.907 1.00 61.54 H new ATOM 879 N PHE A 56 6.898 -23.166 -5.690 1.00 21.01 N ATOM 880 CA PHE A 56 6.262 -24.351 -6.255 1.00 21.13 C ATOM 881 C PHE A 56 7.222 -25.538 -6.253 1.00 72.32 C ATOM 882 O PHE A 56 8.434 -25.368 -6.119 1.00 54.15 O ATOM 883 CB PHE A 56 5.786 -24.068 -7.682 1.00 15.22 C ATOM 884 CG PHE A 56 4.866 -25.123 -8.228 1.00 13.30 C ATOM 885 CD1 PHE A 56 3.744 -25.517 -7.516 1.00 53.50 C ATOM 886 CD2 PHE A 56 5.124 -25.721 -9.450 1.00 11.02 C ATOM 887 CE1 PHE A 56 2.896 -26.488 -8.015 1.00 22.55 C ATOM 888 CE2 PHE A 56 4.279 -26.691 -9.955 1.00 40.34 C ATOM 889 CZ PHE A 56 3.164 -27.076 -9.236 1.00 32.22 C ATOM 0 H PHE A 56 7.224 -22.492 -6.382 1.00 21.01 H new ATOM 0 HA PHE A 56 5.402 -24.602 -5.635 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.274 -23.106 -7.702 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.654 -23.981 -8.335 1.00 15.22 H new ATOM 0 HD1 PHE A 56 3.530 -25.060 -6.561 1.00 53.50 H new ATOM 0 HD2 PHE A 56 5.996 -25.426 -10.015 1.00 11.02 H new ATOM 0 HE1 PHE A 56 2.025 -26.787 -7.451 1.00 22.55 H new ATOM 0 HE2 PHE A 56 4.490 -27.148 -10.911 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.503 -27.835 -9.628 1.00 32.22 H new ATOM 899 N ALA A 57 6.670 -26.737 -6.402 1.00 32.10 N ATOM 900 CA ALA A 57 7.475 -27.952 -6.418 1.00 4.40 C ATOM 901 C ALA A 57 8.531 -27.895 -7.517 1.00 45.14 C ATOM 902 O ALA A 57 9.615 -28.462 -7.380 1.00 5.11 O ATOM 903 CB ALA A 57 6.586 -29.173 -6.599 1.00 15.14 C ATOM 0 H ALA A 57 5.668 -26.893 -6.513 1.00 32.10 H new ATOM 0 HA ALA A 57 7.989 -28.031 -5.460 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.201 -30.073 -6.609 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.874 -29.230 -5.776 1.00 15.14 H new ATOM 0 HB3 ALA A 57 6.045 -29.093 -7.542 1.00 15.14 H new ATOM 909 N SER A 58 8.206 -27.210 -8.609 1.00 54.32 N ATOM 910 CA SER A 58 9.124 -27.085 -9.734 1.00 12.25 C ATOM 911 C SER A 58 8.527 -26.203 -10.827 1.00 23.03 C ATOM 912 O SER A 58 7.950 -26.684 -11.802 1.00 74.33 O ATOM 913 CB SER A 58 9.459 -28.465 -10.303 1.00 24.15 C ATOM 914 OG SER A 58 10.783 -28.502 -10.805 1.00 63.33 O ATOM 0 H SER A 58 7.314 -26.733 -8.738 1.00 54.32 H new ATOM 0 HA SER A 58 10.040 -26.617 -9.373 1.00 12.25 H new ATOM 0 HB2 SER A 58 9.340 -29.221 -9.526 1.00 24.15 H new ATOM 0 HB3 SER A 58 8.758 -28.713 -11.100 1.00 24.15 H new ATOM 0 HG SER A 58 10.973 -29.395 -11.161 1.00 63.33 H new ATOM 920 N PRO A 59 8.669 -24.879 -10.661 1.00 64.12 N ATOM 921 CA PRO A 59 8.150 -23.902 -11.623 1.00 73.32 C ATOM 922 C PRO A 59 8.920 -23.917 -12.939 1.00 23.22 C ATOM 923 O PRO A 59 10.143 -24.067 -12.951 1.00 4.44 O ATOM 924 CB PRO A 59 8.345 -22.563 -10.906 1.00 61.42 C ATOM 925 CG PRO A 59 9.466 -22.801 -9.956 1.00 4.13 C ATOM 926 CD PRO A 59 9.345 -24.236 -9.523 1.00 10.03 C ATOM 0 HA PRO A 59 7.116 -24.110 -11.897 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.586 -21.768 -11.611 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.439 -22.260 -10.381 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.428 -22.618 -10.434 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.402 -22.129 -9.101 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.321 -24.682 -9.331 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.765 -24.331 -8.605 1.00 10.03 H new ATOM 934 N ASP A 60 8.199 -23.763 -14.043 1.00 20.31 N ATOM 935 CA ASP A 60 8.816 -23.758 -15.364 1.00 71.05 C ATOM 936 C ASP A 60 9.820 -22.617 -15.492 1.00 72.31 C ATOM 937 O ASP A 60 10.724 -22.662 -16.327 1.00 5.43 O ATOM 938 CB ASP A 60 7.744 -23.636 -16.449 1.00 60.31 C ATOM 939 CG ASP A 60 8.181 -24.248 -17.766 1.00 74.41 C ATOM 940 OD1 ASP A 60 7.307 -24.736 -18.513 1.00 62.40 O ATOM 941 OD2 ASP A 60 9.398 -24.241 -18.048 1.00 72.43 O1- ATOM 0 H ASP A 60 7.186 -23.640 -14.050 1.00 20.31 H new ATOM 0 HA ASP A 60 9.348 -24.700 -15.493 1.00 71.05 H new ATOM 0 HB2 ASP A 60 6.831 -24.125 -16.110 1.00 60.31 H new ATOM 0 HB3 ASP A 60 7.504 -22.584 -16.602 1.00 60.31 H new ATOM 946 N VAL A 61 9.654 -21.595 -14.659 1.00 23.13 N ATOM 947 CA VAL A 61 10.546 -20.441 -14.679 1.00 4.42 C ATOM 948 C VAL A 61 10.650 -19.803 -13.298 1.00 2.01 C ATOM 949 O VAL A 61 9.686 -19.796 -12.531 1.00 3.25 O ATOM 950 CB VAL A 61 10.069 -19.380 -15.687 1.00 33.32 C ATOM 951 CG1 VAL A 61 10.946 -18.139 -15.611 1.00 0.55 C ATOM 952 CG2 VAL A 61 10.061 -19.951 -17.097 1.00 33.43 C ATOM 0 H VAL A 61 8.911 -21.542 -13.962 1.00 23.13 H new ATOM 0 HA VAL A 61 11.527 -20.805 -14.983 1.00 4.42 H new ATOM 0 HB VAL A 61 9.050 -19.092 -15.430 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.594 -17.400 -16.331 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.896 -17.719 -14.606 1.00 0.55 H new ATOM 0 HG13 VAL A 61 11.977 -18.407 -15.842 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.721 -19.188 -17.797 1.00 33.43 H new ATOM 0 HG22 VAL A 61 11.068 -20.268 -17.367 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.388 -20.807 -17.139 1.00 33.43 H new ATOM 962 N THR A 62 11.826 -19.268 -12.985 1.00 50.24 N ATOM 963 CA THR A 62 12.057 -18.628 -11.697 1.00 14.23 C ATOM 964 C THR A 62 12.384 -17.150 -11.868 1.00 31.34 C ATOM 965 O THR A 62 13.482 -16.792 -12.294 1.00 52.43 O ATOM 966 CB THR A 62 13.204 -19.311 -10.928 1.00 64.24 C ATOM 967 OG1 THR A 62 13.688 -20.436 -11.668 1.00 4.13 O ATOM 968 CG2 THR A 62 12.740 -19.764 -9.552 1.00 53.40 C ATOM 0 H THR A 62 12.634 -19.266 -13.607 1.00 50.24 H new ATOM 0 HA THR A 62 11.135 -18.729 -11.124 1.00 14.23 H new ATOM 0 HB THR A 62 14.008 -18.586 -10.802 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.040 -20.133 -12.531 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.567 -20.243 -9.029 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.400 -18.901 -8.980 1.00 53.40 H new ATOM 0 HG23 THR A 62 11.919 -20.473 -9.660 1.00 53.40 H new ATOM 976 N VAL A 63 11.424 -16.293 -11.532 1.00 71.42 N ATOM 977 CA VAL A 63 11.612 -14.852 -11.647 1.00 52.44 C ATOM 978 C VAL A 63 12.155 -14.263 -10.350 1.00 12.25 C ATOM 979 O VAL A 63 11.600 -14.484 -9.273 1.00 15.12 O ATOM 980 CB VAL A 63 10.293 -14.142 -12.007 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.535 -12.661 -12.258 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.649 -14.798 -13.219 1.00 54.53 C ATOM 0 H VAL A 63 10.509 -16.572 -11.178 1.00 71.42 H new ATOM 0 HA VAL A 63 12.335 -14.690 -12.447 1.00 52.44 H new ATOM 0 HB VAL A 63 9.608 -14.236 -11.164 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.592 -12.176 -12.511 1.00 23.22 H new ATOM 0 HG12 VAL A 63 10.949 -12.203 -11.360 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.237 -12.542 -13.083 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.718 -14.284 -13.459 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.328 -14.736 -14.070 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.439 -15.844 -12.998 1.00 54.53 H new ATOM 992 N THR A 64 13.246 -13.510 -10.460 1.00 21.22 N ATOM 993 CA THR A 64 13.866 -12.890 -9.296 1.00 44.01 C ATOM 994 C THR A 64 13.949 -11.376 -9.460 1.00 25.10 C ATOM 995 O THR A 64 14.751 -10.870 -10.244 1.00 72.04 O ATOM 996 CB THR A 64 15.280 -13.447 -9.049 1.00 34.33 C ATOM 997 OG1 THR A 64 15.531 -14.552 -9.923 1.00 1.35 O ATOM 998 CG2 THR A 64 15.442 -13.891 -7.603 1.00 73.53 C ATOM 0 H THR A 64 13.718 -13.315 -11.343 1.00 21.22 H new ATOM 0 HA THR A 64 13.236 -13.126 -8.438 1.00 44.01 H new ATOM 0 HB THR A 64 15.999 -12.653 -9.252 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.433 -14.899 -9.761 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.449 -14.281 -7.453 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.280 -13.041 -6.941 1.00 73.53 H new ATOM 0 HG23 THR A 64 14.714 -14.670 -7.378 1.00 73.53 H new ATOM 1006 N VAL A 65 13.117 -10.658 -8.712 1.00 24.10 N ATOM 1007 CA VAL A 65 13.098 -9.202 -8.774 1.00 44.40 C ATOM 1008 C VAL A 65 13.284 -8.591 -7.389 1.00 72.43 C ATOM 1009 O VAL A 65 13.230 -9.290 -6.378 1.00 51.43 O ATOM 1010 CB VAL A 65 11.780 -8.682 -9.379 1.00 33.51 C ATOM 1011 CG1 VAL A 65 11.745 -8.936 -10.879 1.00 53.11 C ATOM 1012 CG2 VAL A 65 10.587 -9.329 -8.692 1.00 61.51 C ATOM 0 H VAL A 65 12.448 -11.061 -8.056 1.00 24.10 H new ATOM 0 HA VAL A 65 13.927 -8.902 -9.416 1.00 44.40 H new ATOM 0 HB VAL A 65 11.724 -7.606 -9.215 1.00 33.51 H new ATOM 0 HG11 VAL A 65 10.807 -8.562 -11.290 1.00 53.11 H new ATOM 0 HG12 VAL A 65 12.580 -8.421 -11.355 1.00 53.11 H new ATOM 0 HG13 VAL A 65 11.823 -10.007 -11.069 1.00 53.11 H new ATOM 0 HG21 VAL A 65 9.664 -8.950 -9.132 1.00 61.51 H new ATOM 0 HG22 VAL A 65 10.634 -10.410 -8.823 1.00 61.51 H new ATOM 0 HG23 VAL A 65 10.606 -9.091 -7.628 1.00 61.51 H new ATOM 1022 N GLY A 66 13.502 -7.280 -7.350 1.00 71.14 N ATOM 1023 CA GLY A 66 13.692 -6.597 -6.085 1.00 41.23 C ATOM 1024 C GLY A 66 12.447 -5.863 -5.629 1.00 23.54 C ATOM 1025 O GLY A 66 11.523 -5.645 -6.414 1.00 73.14 O ATOM 0 H GLY A 66 13.550 -6.679 -8.173 1.00 71.14 H new ATOM 0 HA2 GLY A 66 13.982 -7.322 -5.324 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.514 -5.888 -6.179 1.00 41.23 H new ATOM 1029 N LEU A 67 12.418 -5.482 -4.357 1.00 13.24 N ATOM 1030 CA LEU A 67 11.275 -4.770 -3.796 1.00 45.22 C ATOM 1031 C LEU A 67 11.024 -3.467 -4.547 1.00 21.23 C ATOM 1032 O LEU A 67 9.924 -3.226 -5.042 1.00 45.23 O ATOM 1033 CB LEU A 67 11.507 -4.480 -2.312 1.00 52.23 C ATOM 1034 CG LEU A 67 10.271 -4.547 -1.414 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.872 -5.993 -1.162 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.528 -3.826 -0.099 1.00 21.12 C ATOM 0 H LEU A 67 13.174 -5.654 -3.694 1.00 13.24 H new ATOM 0 HA LEU A 67 10.395 -5.405 -3.902 1.00 45.22 H new ATOM 0 HB2 LEU A 67 12.244 -5.189 -1.935 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.944 -3.486 -2.221 1.00 52.23 H new ATOM 0 HG LEU A 67 9.447 -4.048 -1.924 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.991 -6.021 -0.521 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.646 -6.479 -2.111 1.00 15.22 H new ATOM 0 HD13 LEU A 67 10.693 -6.517 -0.673 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.638 -3.884 0.528 1.00 21.12 H new ATOM 0 HD22 LEU A 67 11.366 -4.296 0.416 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.765 -2.781 -0.297 1.00 21.12 H new ATOM 1048 N GLU A 68 12.054 -2.629 -4.630 1.00 23.10 N ATOM 1049 CA GLU A 68 11.944 -1.351 -5.322 1.00 24.34 C ATOM 1050 C GLU A 68 11.454 -1.547 -6.753 1.00 61.31 C ATOM 1051 O GLU A 68 10.564 -0.835 -7.220 1.00 21.23 O ATOM 1052 CB GLU A 68 13.295 -0.632 -5.328 1.00 2.03 C ATOM 1053 CG GLU A 68 13.949 -0.553 -3.960 1.00 62.33 C ATOM 1054 CD GLU A 68 14.834 0.669 -3.805 1.00 54.24 C ATOM 1055 OE1 GLU A 68 14.890 1.222 -2.687 1.00 72.13 O ATOM 1056 OE2 GLU A 68 15.469 1.073 -4.801 1.00 60.41 O1- ATOM 0 H GLU A 68 12.973 -2.813 -4.227 1.00 23.10 H new ATOM 0 HA GLU A 68 11.217 -0.739 -4.788 1.00 24.34 H new ATOM 0 HB2 GLU A 68 13.968 -1.147 -6.014 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.158 0.378 -5.714 1.00 2.03 H new ATOM 0 HG2 GLU A 68 13.175 -0.536 -3.192 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.544 -1.451 -3.794 1.00 62.33 H new ATOM 1063 N ASP A 69 12.040 -2.518 -7.445 1.00 20.45 N ATOM 1064 CA ASP A 69 11.663 -2.810 -8.824 1.00 42.22 C ATOM 1065 C ASP A 69 10.158 -3.033 -8.940 1.00 43.43 C ATOM 1066 O ASP A 69 9.491 -2.413 -9.767 1.00 14.14 O ATOM 1067 CB ASP A 69 12.415 -4.041 -9.330 1.00 71.20 C ATOM 1068 CG ASP A 69 13.175 -3.770 -10.614 1.00 61.35 C ATOM 1069 OD1 ASP A 69 14.052 -2.881 -10.607 1.00 51.33 O ATOM 1070 OD2 ASP A 69 12.891 -4.445 -11.625 1.00 23.21 O1- ATOM 0 H ASP A 69 12.778 -3.116 -7.074 1.00 20.45 H new ATOM 0 HA ASP A 69 11.933 -1.951 -9.439 1.00 42.22 H new ATOM 0 HB2 ASP A 69 13.112 -4.377 -8.563 1.00 71.20 H new ATOM 0 HB3 ASP A 69 11.707 -4.853 -9.495 1.00 71.20 H new ATOM 1075 N MET A 70 9.632 -3.924 -8.107 1.00 54.02 N ATOM 1076 CA MET A 70 8.206 -4.228 -8.116 1.00 40.11 C ATOM 1077 C MET A 70 7.377 -2.959 -7.951 1.00 33.44 C ATOM 1078 O MET A 70 6.509 -2.659 -8.772 1.00 2.01 O ATOM 1079 CB MET A 70 7.867 -5.222 -7.003 1.00 64.44 C ATOM 1080 CG MET A 70 6.876 -6.293 -7.425 1.00 53.12 C ATOM 1081 SD MET A 70 7.636 -7.920 -7.583 1.00 44.35 S ATOM 1082 CE MET A 70 6.584 -8.667 -8.825 1.00 74.02 C ATOM 0 H MET A 70 10.171 -4.448 -7.418 1.00 54.02 H new ATOM 0 HA MET A 70 7.962 -4.676 -9.079 1.00 40.11 H new ATOM 0 HB2 MET A 70 8.785 -5.702 -6.664 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.459 -4.677 -6.152 1.00 64.44 H new ATOM 0 HG2 MET A 70 6.068 -6.343 -6.695 1.00 53.12 H new ATOM 0 HG3 MET A 70 6.427 -6.012 -8.378 1.00 53.12 H new ATOM 0 HE1 MET A 70 7.069 -9.558 -9.224 1.00 74.02 H new ATOM 0 HE2 MET A 70 5.630 -8.943 -8.376 1.00 74.02 H new ATOM 0 HE3 MET A 70 6.412 -7.955 -9.632 1.00 74.02 H new ATOM 1092 N LEU A 71 7.649 -2.215 -6.883 1.00 4.41 N ATOM 1093 CA LEU A 71 6.929 -0.977 -6.610 1.00 52.32 C ATOM 1094 C LEU A 71 7.100 0.017 -7.754 1.00 50.24 C ATOM 1095 O LEU A 71 6.204 0.813 -8.038 1.00 51.41 O ATOM 1096 CB LEU A 71 7.421 -0.355 -5.302 1.00 73.33 C ATOM 1097 CG LEU A 71 7.500 -1.297 -4.100 1.00 72.22 C ATOM 1098 CD1 LEU A 71 8.541 -0.806 -3.105 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.139 -1.423 -3.430 1.00 30.51 C ATOM 0 H LEU A 71 8.363 -2.448 -6.193 1.00 4.41 H new ATOM 0 HA LEU A 71 5.870 -1.216 -6.516 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.411 0.067 -5.473 1.00 73.33 H new ATOM 0 HB3 LEU A 71 6.761 0.474 -5.046 1.00 73.33 H new ATOM 0 HG LEU A 71 7.801 -2.283 -4.455 1.00 72.22 H new ATOM 0 HD11 LEU A 71 8.583 -1.489 -2.256 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.517 -0.767 -3.589 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.269 0.190 -2.756 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.214 -2.097 -2.577 1.00 30.51 H new ATOM 0 HD22 LEU A 71 5.809 -0.442 -3.089 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.417 -1.821 -4.144 1.00 30.51 H new ATOM 1111 N ALA A 72 8.254 -0.036 -8.410 1.00 72.12 N ATOM 1112 CA ALA A 72 8.541 0.856 -9.526 1.00 10.33 C ATOM 1113 C ALA A 72 7.553 0.641 -10.668 1.00 3.31 C ATOM 1114 O ALA A 72 6.954 1.592 -11.170 1.00 20.22 O ATOM 1115 CB ALA A 72 9.967 0.650 -10.014 1.00 1.25 C ATOM 0 H ALA A 72 9.006 -0.688 -8.188 1.00 72.12 H new ATOM 0 HA ALA A 72 8.434 1.882 -9.175 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.167 1.323 -10.848 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.663 0.861 -9.202 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.094 -0.382 -10.342 1.00 1.25 H new ATOM 1121 N ILE A 73 7.390 -0.613 -11.074 1.00 10.35 N ATOM 1122 CA ILE A 73 6.474 -0.952 -12.157 1.00 70.44 C ATOM 1123 C ILE A 73 5.022 -0.818 -11.711 1.00 3.41 C ATOM 1124 O ILE A 73 4.271 0.000 -12.244 1.00 51.33 O ATOM 1125 CB ILE A 73 6.712 -2.385 -12.668 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.211 -2.650 -12.830 1.00 5.34 C ATOM 1127 CG2 ILE A 73 5.984 -2.605 -13.986 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.524 -4.010 -13.413 1.00 20.44 C ATOM 0 H ILE A 73 7.880 -1.411 -10.670 1.00 10.35 H new ATOM 0 HA ILE A 73 6.669 -0.249 -12.967 1.00 70.44 H new ATOM 0 HB ILE A 73 6.315 -3.087 -11.935 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.641 -1.881 -13.472 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.695 -2.560 -11.857 1.00 5.34 H new ATOM 0 HG21 ILE A 73 6.162 -3.622 -14.334 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.914 -2.453 -13.841 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.354 -1.897 -14.728 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.604 -4.129 -13.499 1.00 20.44 H new ATOM 0 HD12 ILE A 73 8.124 -4.786 -12.760 1.00 20.44 H new ATOM 0 HD13 ILE A 73 8.069 -4.096 -14.400 1.00 20.44 H new ATOM 1140 N SER A 74 4.633 -1.625 -10.729 1.00 34.22 N ATOM 1141 CA SER A 74 3.269 -1.597 -10.213 1.00 34.44 C ATOM 1142 C SER A 74 2.889 -0.193 -9.755 1.00 12.00 C ATOM 1143 O SER A 74 1.710 0.149 -9.675 1.00 4.54 O ATOM 1144 CB SER A 74 3.122 -2.582 -9.050 1.00 32.15 C ATOM 1145 OG SER A 74 1.787 -2.619 -8.579 1.00 43.53 O ATOM 0 H SER A 74 5.242 -2.306 -10.275 1.00 34.22 H new ATOM 0 HA SER A 74 2.596 -1.891 -11.018 1.00 34.44 H new ATOM 0 HB2 SER A 74 3.425 -3.578 -9.373 1.00 32.15 H new ATOM 0 HB3 SER A 74 3.789 -2.293 -8.238 1.00 32.15 H new ATOM 0 HG SER A 74 1.380 -3.478 -8.817 1.00 43.53 H new ATOM 1151 N GLY A 75 3.900 0.619 -9.455 1.00 30.23 N ATOM 1152 CA GLY A 75 3.652 1.977 -9.008 1.00 71.54 C ATOM 1153 C GLY A 75 3.226 2.891 -10.139 1.00 52.41 C ATOM 1154 O GLY A 75 2.946 4.070 -9.924 1.00 72.55 O ATOM 0 H GLY A 75 4.885 0.360 -9.514 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.878 1.968 -8.241 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.555 2.374 -8.545 1.00 71.54 H new ATOM 1158 N LYS A 76 3.179 2.347 -11.351 1.00 72.22 N ATOM 1159 CA LYS A 76 2.784 3.120 -12.522 1.00 63.32 C ATOM 1160 C LYS A 76 3.809 4.208 -12.826 1.00 4.25 C ATOM 1161 O LYS A 76 3.561 5.101 -13.638 1.00 51.51 O ATOM 1162 CB LYS A 76 1.407 3.749 -12.304 1.00 43.21 C ATOM 1163 CG LYS A 76 0.479 2.902 -11.449 1.00 10.13 C ATOM 1164 CD LYS A 76 -0.980 3.166 -11.778 1.00 41.34 C ATOM 1165 CE LYS A 76 -1.747 3.656 -10.560 1.00 40.22 C ATOM 1166 NZ LYS A 76 -3.214 3.457 -10.711 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.410 1.373 -11.547 1.00 72.22 H new ATOM 0 HA LYS A 76 2.735 2.442 -13.374 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.533 4.724 -11.833 1.00 43.21 H new ATOM 0 HB3 LYS A 76 0.938 3.921 -13.273 1.00 43.21 H new ATOM 0 HG2 LYS A 76 0.702 1.847 -11.604 1.00 10.13 H new ATOM 0 HG3 LYS A 76 0.659 3.114 -10.395 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -1.046 3.908 -12.573 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -1.440 2.253 -12.155 1.00 41.34 H new ATOM 0 HE2 LYS A 76 -1.398 3.126 -9.674 1.00 40.22 H new ATOM 0 HE3 LYS A 76 -1.539 4.714 -10.401 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 -3.701 3.804 -9.860 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -3.552 3.983 -11.542 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -3.416 2.445 -10.837 1.00 53.25 H new ATOM 1180 N THR A 77 4.964 4.128 -12.172 1.00 13.43 N ATOM 1181 CA THR A 77 6.026 5.104 -12.373 1.00 43.43 C ATOM 1182 C THR A 77 7.102 4.563 -13.307 1.00 63.21 C ATOM 1183 O THR A 77 7.788 5.326 -13.988 1.00 21.54 O ATOM 1184 CB THR A 77 6.679 5.507 -11.037 1.00 71.41 C ATOM 1185 OG1 THR A 77 7.599 6.583 -11.246 1.00 24.34 O ATOM 1186 CG2 THR A 77 7.404 4.326 -10.411 1.00 61.23 C ATOM 0 H THR A 77 5.187 3.396 -11.498 1.00 13.43 H new ATOM 0 HA THR A 77 5.565 5.983 -12.824 1.00 43.43 H new ATOM 0 HB THR A 77 5.892 5.831 -10.356 1.00 71.41 H new ATOM 0 HG1 THR A 77 8.008 6.834 -10.392 1.00 24.34 H new ATOM 0 HG21 THR A 77 7.857 4.635 -9.469 1.00 61.23 H new ATOM 0 HG22 THR A 77 6.694 3.520 -10.225 1.00 61.23 H new ATOM 0 HG23 THR A 77 8.182 3.975 -11.090 1.00 61.23 H new ATOM 1194 N LEU A 78 7.243 3.243 -13.337 1.00 61.23 N ATOM 1195 CA LEU A 78 8.235 2.598 -14.190 1.00 64.41 C ATOM 1196 C LEU A 78 7.599 1.491 -15.025 1.00 4.21 C ATOM 1197 O LEU A 78 6.452 1.108 -14.798 1.00 64.35 O ATOM 1198 CB LEU A 78 9.370 2.022 -13.341 1.00 40.00 C ATOM 1199 CG LEU A 78 10.748 2.651 -13.549 1.00 14.14 C ATOM 1200 CD1 LEU A 78 11.163 2.558 -15.009 1.00 21.42 C ATOM 1201 CD2 LEU A 78 10.750 4.100 -13.083 1.00 52.03 C ATOM 0 H LEU A 78 6.683 2.598 -12.780 1.00 61.23 H new ATOM 0 HA LEU A 78 8.640 3.351 -14.866 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.100 2.126 -12.290 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.445 0.954 -13.547 1.00 40.00 H new ATOM 0 HG LEU A 78 11.472 2.097 -12.951 1.00 14.14 H new ATOM 0 HD11 LEU A 78 12.146 3.011 -15.137 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.204 1.511 -15.310 1.00 21.42 H new ATOM 0 HD13 LEU A 78 10.437 3.085 -15.628 1.00 21.42 H new ATOM 0 HD21 LEU A 78 11.739 4.531 -13.239 1.00 52.03 H new ATOM 0 HD22 LEU A 78 10.013 4.666 -13.653 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.499 4.142 -12.023 1.00 52.03 H new ATOM 1213 N THR A 79 8.353 0.980 -15.993 1.00 53.44 N ATOM 1214 CA THR A 79 7.865 -0.084 -16.862 1.00 2.24 C ATOM 1215 C THR A 79 8.838 -1.257 -16.897 1.00 31.21 C ATOM 1216 O THR A 79 10.039 -1.087 -16.684 1.00 53.42 O ATOM 1217 CB THR A 79 7.640 0.424 -18.299 1.00 73.11 C ATOM 1218 OG1 THR A 79 8.855 0.969 -18.822 1.00 25.35 O ATOM 1219 CG2 THR A 79 6.546 1.482 -18.334 1.00 71.32 C ATOM 0 H THR A 79 9.305 1.286 -16.195 1.00 53.44 H new ATOM 0 HA THR A 79 6.913 -0.418 -16.448 1.00 2.24 H new ATOM 0 HB THR A 79 7.327 -0.420 -18.914 1.00 73.11 H new ATOM 0 HG1 THR A 79 8.704 1.288 -19.736 1.00 25.35 H new ATOM 0 HG21 THR A 79 6.405 1.826 -19.359 1.00 71.32 H new ATOM 0 HG22 THR A 79 5.614 1.055 -17.963 1.00 71.32 H new ATOM 0 HG23 THR A 79 6.834 2.324 -17.705 1.00 71.32 H new ATOM 1227 N VAL A 80 8.313 -2.447 -17.166 1.00 5.33 N ATOM 1228 CA VAL A 80 9.135 -3.650 -17.230 1.00 10.20 C ATOM 1229 C VAL A 80 10.284 -3.477 -18.219 1.00 63.11 C ATOM 1230 O VAL A 80 11.417 -3.873 -17.946 1.00 72.02 O ATOM 1231 CB VAL A 80 8.303 -4.879 -17.638 1.00 1.42 C ATOM 1232 CG1 VAL A 80 9.190 -6.108 -17.763 1.00 32.31 C ATOM 1233 CG2 VAL A 80 7.183 -5.119 -16.638 1.00 54.23 C ATOM 0 H VAL A 80 7.321 -2.605 -17.343 1.00 5.33 H new ATOM 0 HA VAL A 80 9.539 -3.811 -16.230 1.00 10.20 H new ATOM 0 HB VAL A 80 7.854 -4.685 -18.612 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.584 -6.966 -18.052 1.00 32.31 H new ATOM 0 HG12 VAL A 80 9.953 -5.931 -18.521 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.670 -6.309 -16.805 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.605 -5.992 -16.942 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.609 -5.292 -15.650 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.532 -4.246 -16.605 1.00 54.23 H new ATOM 1243 N GLY A 81 9.984 -2.882 -19.369 1.00 1.42 N ATOM 1244 CA GLY A 81 11.001 -2.666 -20.381 1.00 4.53 C ATOM 1245 C GLY A 81 12.152 -1.820 -19.875 1.00 72.43 C ATOM 1246 O GLY A 81 13.302 -2.028 -20.263 1.00 54.32 O ATOM 0 H GLY A 81 9.054 -2.545 -19.618 1.00 1.42 H new ATOM 0 HA2 GLY A 81 11.383 -3.629 -20.719 1.00 4.53 H new ATOM 0 HA3 GLY A 81 10.550 -2.180 -21.247 1.00 4.53 H new ATOM 1250 N ASP A 82 11.843 -0.863 -19.007 1.00 14.13 N ATOM 1251 CA ASP A 82 12.861 0.018 -18.446 1.00 21.43 C ATOM 1252 C ASP A 82 13.829 -0.761 -17.562 1.00 23.42 C ATOM 1253 O ASP A 82 15.046 -0.621 -17.682 1.00 72.21 O ATOM 1254 CB ASP A 82 12.206 1.142 -17.641 1.00 22.14 C ATOM 1255 CG ASP A 82 12.234 2.470 -18.371 1.00 13.02 C ATOM 1256 OD1 ASP A 82 13.235 2.745 -19.066 1.00 14.15 O ATOM 1257 OD2 ASP A 82 11.255 3.235 -18.248 1.00 41.32 O1- ATOM 0 H ASP A 82 10.896 -0.677 -18.677 1.00 14.13 H new ATOM 0 HA ASP A 82 13.424 0.453 -19.272 1.00 21.43 H new ATOM 0 HB2 ASP A 82 11.173 0.873 -17.422 1.00 22.14 H new ATOM 0 HB3 ASP A 82 12.718 1.246 -16.684 1.00 22.14 H new ATOM 1262 N ALA A 83 13.279 -1.582 -16.672 1.00 45.42 N ATOM 1263 CA ALA A 83 14.093 -2.384 -15.769 1.00 21.54 C ATOM 1264 C ALA A 83 14.797 -3.511 -16.517 1.00 74.42 C ATOM 1265 O ALA A 83 15.928 -3.875 -16.193 1.00 71.11 O ATOM 1266 CB ALA A 83 13.235 -2.950 -14.646 1.00 12.34 C ATOM 0 H ALA A 83 12.273 -1.708 -16.558 1.00 45.42 H new ATOM 0 HA ALA A 83 14.857 -1.737 -15.338 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.857 -3.547 -13.979 1.00 12.34 H new ATOM 0 HB2 ALA A 83 12.783 -2.132 -14.085 1.00 12.34 H new ATOM 0 HB3 ALA A 83 12.450 -3.577 -15.069 1.00 12.34 H new ATOM 1272 N LEU A 84 14.122 -4.061 -17.520 1.00 41.30 N ATOM 1273 CA LEU A 84 14.683 -5.148 -18.315 1.00 72.41 C ATOM 1274 C LEU A 84 16.058 -4.773 -18.857 1.00 23.24 C ATOM 1275 O LEU A 84 17.027 -5.513 -18.688 1.00 61.34 O ATOM 1276 CB LEU A 84 13.744 -5.497 -19.472 1.00 54.12 C ATOM 1277 CG LEU A 84 13.286 -6.954 -19.549 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.453 -7.861 -19.909 1.00 35.23 C ATOM 1279 CD2 LEU A 84 12.660 -7.387 -18.232 1.00 24.15 C ATOM 0 H LEU A 84 13.185 -3.772 -17.802 1.00 41.30 H new ATOM 0 HA LEU A 84 14.793 -6.019 -17.669 1.00 72.41 H new ATOM 0 HB2 LEU A 84 12.860 -4.863 -19.400 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.243 -5.244 -20.407 1.00 54.12 H new ATOM 0 HG LEU A 84 12.532 -7.037 -20.331 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.109 -8.894 -19.959 1.00 35.23 H new ATOM 0 HD12 LEU A 84 14.858 -7.566 -20.877 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.229 -7.774 -19.149 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.340 -8.426 -18.306 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.393 -7.289 -17.431 1.00 24.15 H new ATOM 0 HD23 LEU A 84 11.798 -6.757 -18.014 1.00 24.15 H new ATOM 1291 N LYS A 85 16.137 -3.617 -19.507 1.00 13.23 N ATOM 1292 CA LYS A 85 17.394 -3.139 -20.071 1.00 53.44 C ATOM 1293 C LYS A 85 18.486 -3.098 -19.008 1.00 73.11 C ATOM 1294 O LYS A 85 19.602 -3.567 -19.233 1.00 1.12 O ATOM 1295 CB LYS A 85 17.208 -1.748 -20.681 1.00 25.42 C ATOM 1296 CG LYS A 85 17.453 -1.703 -22.179 1.00 52.24 C ATOM 1297 CD LYS A 85 16.569 -0.670 -22.858 1.00 12.13 C ATOM 1298 CE LYS A 85 15.809 -1.271 -24.030 1.00 30.01 C ATOM 1299 NZ LYS A 85 16.570 -1.154 -25.305 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.344 -2.993 -19.656 1.00 13.23 H new ATOM 0 HA LYS A 85 17.699 -3.833 -20.854 1.00 53.44 H new ATOM 0 HB2 LYS A 85 16.194 -1.403 -20.477 1.00 25.42 H new ATOM 0 HB3 LYS A 85 17.887 -1.051 -20.189 1.00 25.42 H new ATOM 0 HG2 LYS A 85 18.500 -1.469 -22.370 1.00 52.24 H new ATOM 0 HG3 LYS A 85 17.262 -2.686 -22.610 1.00 52.24 H new ATOM 0 HD2 LYS A 85 15.862 -0.263 -22.135 1.00 12.13 H new ATOM 0 HD3 LYS A 85 17.181 0.161 -23.208 1.00 12.13 H new ATOM 0 HE2 LYS A 85 15.600 -2.321 -23.827 1.00 30.01 H new ATOM 0 HE3 LYS A 85 14.847 -0.769 -24.134 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 16.018 -1.575 -26.079 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 16.747 -0.150 -25.513 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 17.477 -1.654 -25.215 1.00 0.02 H new ATOM 1313 N GLN A 86 18.157 -2.537 -17.849 1.00 11.43 N ATOM 1314 CA GLN A 86 19.111 -2.436 -16.751 1.00 53.23 C ATOM 1315 C GLN A 86 19.416 -3.811 -16.167 1.00 21.22 C ATOM 1316 O GLN A 86 20.444 -4.008 -15.519 1.00 41.42 O ATOM 1317 CB GLN A 86 18.567 -1.515 -15.658 1.00 12.42 C ATOM 1318 CG GLN A 86 18.025 -0.196 -16.187 1.00 73.05 C ATOM 1319 CD GLN A 86 17.930 0.869 -15.113 1.00 42.21 C ATOM 1320 OE1 GLN A 86 18.938 1.447 -14.705 1.00 72.11 O ATOM 1321 NE2 GLN A 86 16.715 1.135 -14.649 1.00 61.43 N ATOM 0 H GLN A 86 17.237 -2.146 -17.646 1.00 11.43 H new ATOM 0 HA GLN A 86 20.036 -2.015 -17.145 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.774 -2.034 -15.119 1.00 12.42 H new ATOM 0 HB3 GLN A 86 19.360 -1.310 -14.939 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.669 0.161 -16.991 1.00 73.05 H new ATOM 0 HG3 GLN A 86 17.038 -0.360 -16.619 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.907 0.632 -15.016 1.00 61.43 H new ATOM 0 HE22 GLN A 86 16.589 1.843 -13.926 1.00 61.43 H new ATOM 1330 N GLY A 87 18.516 -4.762 -16.402 1.00 0.43 N ATOM 1331 CA GLY A 87 18.709 -6.107 -15.892 1.00 2.32 C ATOM 1332 C GLY A 87 18.297 -6.240 -14.439 1.00 44.42 C ATOM 1333 O GLY A 87 19.035 -6.796 -13.625 1.00 32.22 O ATOM 0 H GLY A 87 17.658 -4.625 -16.936 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.132 -6.808 -16.496 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.758 -6.385 -15.996 1.00 2.32 H new ATOM 1337 N LYS A 88 17.116 -5.728 -14.111 1.00 21.33 N ATOM 1338 CA LYS A 88 16.606 -5.792 -12.746 1.00 11.34 C ATOM 1339 C LYS A 88 15.854 -7.097 -12.507 1.00 1.12 C ATOM 1340 O LYS A 88 15.871 -7.639 -11.401 1.00 61.44 O ATOM 1341 CB LYS A 88 15.686 -4.601 -12.467 1.00 75.34 C ATOM 1342 CG LYS A 88 16.343 -3.253 -12.714 1.00 24.51 C ATOM 1343 CD LYS A 88 16.927 -2.677 -11.435 1.00 73.13 C ATOM 1344 CE LYS A 88 18.384 -3.074 -11.259 1.00 11.13 C ATOM 1345 NZ LYS A 88 19.012 -2.382 -10.100 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.493 -5.264 -14.772 1.00 21.33 H new ATOM 0 HA LYS A 88 17.456 -5.753 -12.065 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.799 -4.684 -13.094 1.00 75.34 H new ATOM 0 HB3 LYS A 88 15.350 -4.647 -11.431 1.00 75.34 H new ATOM 0 HG2 LYS A 88 17.131 -3.362 -13.459 1.00 24.51 H new ATOM 0 HG3 LYS A 88 15.610 -2.559 -13.125 1.00 24.51 H new ATOM 0 HD2 LYS A 88 16.845 -1.590 -11.453 1.00 73.13 H new ATOM 0 HD3 LYS A 88 16.348 -3.026 -10.580 1.00 73.13 H new ATOM 0 HE2 LYS A 88 18.452 -4.153 -11.118 1.00 11.13 H new ATOM 0 HE3 LYS A 88 18.937 -2.836 -12.167 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 20.005 -2.680 -10.014 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 18.970 -1.353 -10.246 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 18.500 -2.629 -9.229 1.00 30.44 H new ATOM 1359 N ILE A 89 15.198 -7.596 -13.548 1.00 4.34 N ATOM 1360 CA ILE A 89 14.442 -8.838 -13.451 1.00 61.10 C ATOM 1361 C ILE A 89 15.312 -10.040 -13.801 1.00 40.34 C ATOM 1362 O ILE A 89 15.894 -10.103 -14.883 1.00 73.31 O ATOM 1363 CB ILE A 89 13.211 -8.823 -14.377 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.490 -7.477 -14.280 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.267 -9.962 -14.022 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.389 -7.307 -15.303 1.00 63.11 C ATOM 0 H ILE A 89 15.175 -7.159 -14.469 1.00 4.34 H new ATOM 0 HA ILE A 89 14.107 -8.923 -12.417 1.00 61.10 H new ATOM 0 HB ILE A 89 13.546 -8.962 -15.405 1.00 34.53 H new ATOM 0 HG12 ILE A 89 12.066 -7.372 -13.281 1.00 63.53 H new ATOM 0 HG13 ILE A 89 13.217 -6.675 -14.404 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.402 -9.938 -14.685 1.00 22.12 H new ATOM 0 HG22 ILE A 89 12.786 -10.914 -14.137 1.00 22.12 H new ATOM 0 HG23 ILE A 89 11.936 -9.852 -12.989 1.00 22.12 H new ATOM 0 HD11 ILE A 89 10.922 -6.331 -15.176 1.00 63.11 H new ATOM 0 HD12 ILE A 89 11.810 -7.380 -16.306 1.00 63.11 H new ATOM 0 HD13 ILE A 89 10.641 -8.088 -15.166 1.00 63.11 H new ATOM 1378 N GLU A 90 15.396 -10.992 -12.877 1.00 44.31 N ATOM 1379 CA GLU A 90 16.195 -12.193 -13.089 1.00 3.44 C ATOM 1380 C GLU A 90 15.312 -13.371 -13.492 1.00 63.21 C ATOM 1381 O GLU A 90 14.165 -13.478 -13.057 1.00 12.42 O ATOM 1382 CB GLU A 90 16.981 -12.541 -11.823 1.00 21.54 C ATOM 1383 CG GLU A 90 18.476 -12.301 -11.949 1.00 21.32 C ATOM 1384 CD GLU A 90 19.298 -13.495 -11.503 1.00 53.14 C ATOM 1385 OE1 GLU A 90 19.207 -14.555 -12.159 1.00 2.24 O ATOM 1386 OE2 GLU A 90 20.031 -13.370 -10.500 1.00 73.11 O1- ATOM 0 H GLU A 90 14.921 -10.955 -11.975 1.00 44.31 H new ATOM 0 HA GLU A 90 16.896 -11.992 -13.899 1.00 3.44 H new ATOM 0 HB2 GLU A 90 16.596 -11.950 -10.992 1.00 21.54 H new ATOM 0 HB3 GLU A 90 16.809 -13.589 -11.575 1.00 21.54 H new ATOM 0 HG2 GLU A 90 18.716 -12.066 -12.986 1.00 21.32 H new ATOM 0 HG3 GLU A 90 18.752 -11.431 -11.353 1.00 21.32 H new ATOM 1393 N LEU A 91 15.855 -14.252 -14.325 1.00 41.35 N ATOM 1394 CA LEU A 91 15.117 -15.422 -14.788 1.00 12.31 C ATOM 1395 C LEU A 91 16.007 -16.661 -14.790 1.00 71.23 C ATOM 1396 O LEU A 91 17.170 -16.601 -15.189 1.00 24.34 O ATOM 1397 CB LEU A 91 14.561 -15.177 -16.191 1.00 34.35 C ATOM 1398 CG LEU A 91 15.547 -14.611 -17.215 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.116 -15.725 -18.078 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.872 -13.556 -18.078 1.00 15.23 C ATOM 0 H LEU A 91 16.803 -14.178 -14.693 1.00 41.35 H new ATOM 0 HA LEU A 91 14.288 -15.593 -14.101 1.00 12.31 H new ATOM 0 HB2 LEU A 91 14.170 -16.119 -16.575 1.00 34.35 H new ATOM 0 HB3 LEU A 91 13.717 -14.491 -16.111 1.00 34.35 H new ATOM 0 HG LEU A 91 16.370 -14.139 -16.678 1.00 43.14 H new ATOM 0 HD11 LEU A 91 16.815 -15.304 -18.801 1.00 21.14 H new ATOM 0 HD12 LEU A 91 16.636 -16.445 -17.446 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.305 -16.226 -18.607 1.00 21.14 H new ATOM 0 HD21 LEU A 91 15.588 -13.164 -18.801 1.00 15.23 H new ATOM 0 HD22 LEU A 91 14.030 -14.003 -18.607 1.00 15.23 H new ATOM 0 HD23 LEU A 91 14.513 -12.744 -17.446 1.00 15.23 H new ATOM 1412 N SER A 92 15.451 -17.784 -14.345 1.00 62.30 N ATOM 1413 CA SER A 92 16.195 -19.036 -14.294 1.00 12.01 C ATOM 1414 C SER A 92 15.365 -20.184 -14.861 1.00 53.43 C ATOM 1415 O SER A 92 14.377 -20.606 -14.263 1.00 42.11 O ATOM 1416 CB SER A 92 16.606 -19.353 -12.854 1.00 32.04 C ATOM 1417 OG SER A 92 16.173 -18.338 -11.966 1.00 24.24 O ATOM 0 H SER A 92 14.488 -17.852 -14.015 1.00 62.30 H new ATOM 0 HA SER A 92 17.092 -18.922 -14.903 1.00 12.01 H new ATOM 0 HB2 SER A 92 16.180 -20.310 -12.553 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.690 -19.454 -12.795 1.00 32.04 H new ATOM 0 HG SER A 92 16.446 -18.564 -11.052 1.00 24.24 H new ATOM 1423 N GLY A 93 15.776 -20.685 -16.023 1.00 72.14 N ATOM 1424 CA GLY A 93 15.060 -21.779 -16.653 1.00 41.14 C ATOM 1425 C GLY A 93 14.762 -21.511 -18.115 1.00 52.41 C ATOM 1426 O GLY A 93 15.516 -21.925 -18.995 1.00 72.03 O ATOM 0 H GLY A 93 16.591 -20.353 -16.538 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.649 -22.692 -16.567 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.125 -21.952 -16.120 1.00 41.14 H new ATOM 1430 N ASP A 94 13.660 -20.817 -18.375 1.00 50.01 N ATOM 1431 CA ASP A 94 13.263 -20.493 -19.741 1.00 42.00 C ATOM 1432 C ASP A 94 12.970 -19.003 -19.884 1.00 61.22 C ATOM 1433 O ASP A 94 11.887 -18.538 -19.533 1.00 24.31 O ATOM 1434 CB ASP A 94 12.034 -21.309 -20.144 1.00 44.20 C ATOM 1435 CG ASP A 94 12.251 -22.091 -21.424 1.00 62.13 C ATOM 1436 OD1 ASP A 94 11.845 -23.271 -21.475 1.00 22.23 O ATOM 1437 OD2 ASP A 94 12.829 -21.524 -22.375 1.00 42.01 O1- ATOM 0 H ASP A 94 13.025 -20.467 -17.658 1.00 50.01 H new ATOM 0 HA ASP A 94 14.091 -20.746 -20.403 1.00 42.00 H new ATOM 0 HB2 ASP A 94 11.780 -21.999 -19.339 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.183 -20.640 -20.271 1.00 44.20 H new ATOM 1442 N ALA A 95 13.945 -18.262 -20.401 1.00 52.22 N ATOM 1443 CA ALA A 95 13.790 -16.824 -20.592 1.00 61.03 C ATOM 1444 C ALA A 95 12.596 -16.514 -21.488 1.00 63.24 C ATOM 1445 O ALA A 95 12.053 -15.409 -21.453 1.00 24.01 O ATOM 1446 CB ALA A 95 15.062 -16.231 -21.179 1.00 22.22 C ATOM 0 H ALA A 95 14.849 -18.632 -20.695 1.00 52.22 H new ATOM 0 HA ALA A 95 13.606 -16.370 -19.618 1.00 61.03 H new ATOM 0 HB1 ALA A 95 14.933 -15.157 -21.317 1.00 22.22 H new ATOM 0 HB2 ALA A 95 15.895 -16.412 -20.500 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.270 -16.698 -22.142 1.00 22.22 H new ATOM 1452 N ASP A 96 12.194 -17.494 -22.290 1.00 31.21 N ATOM 1453 CA ASP A 96 11.063 -17.326 -23.195 1.00 63.04 C ATOM 1454 C ASP A 96 9.756 -17.213 -22.417 1.00 71.11 C ATOM 1455 O ASP A 96 8.978 -16.279 -22.621 1.00 42.54 O ATOM 1456 CB ASP A 96 10.988 -18.497 -24.175 1.00 13.52 C ATOM 1457 CG ASP A 96 10.592 -18.059 -25.571 1.00 14.13 C ATOM 1458 OD1 ASP A 96 9.379 -18.055 -25.870 1.00 42.02 O ATOM 1459 OD2 ASP A 96 11.495 -17.720 -26.365 1.00 51.14 O1- ATOM 0 H ASP A 96 12.635 -18.413 -22.332 1.00 31.21 H new ATOM 0 HA ASP A 96 11.212 -16.403 -23.755 1.00 63.04 H new ATOM 0 HB2 ASP A 96 11.956 -18.996 -24.215 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.267 -19.228 -23.809 1.00 13.52 H new ATOM 1464 N LEU A 97 9.519 -18.170 -21.526 1.00 21.24 N ATOM 1465 CA LEU A 97 8.305 -18.178 -20.718 1.00 53.03 C ATOM 1466 C LEU A 97 8.139 -16.860 -19.969 1.00 34.03 C ATOM 1467 O LEU A 97 7.039 -16.318 -19.884 1.00 22.40 O ATOM 1468 CB LEU A 97 8.338 -19.342 -19.726 1.00 23.04 C ATOM 1469 CG LEU A 97 7.187 -20.344 -19.827 1.00 32.22 C ATOM 1470 CD1 LEU A 97 5.854 -19.650 -19.588 1.00 33.50 C ATOM 1471 CD2 LEU A 97 7.197 -21.033 -21.183 1.00 13.34 C ATOM 0 H LEU A 97 10.151 -18.950 -21.345 1.00 21.24 H new ATOM 0 HA LEU A 97 7.454 -18.302 -21.387 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.275 -19.881 -19.861 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.349 -18.932 -18.716 1.00 23.04 H new ATOM 0 HG LEU A 97 7.322 -21.103 -19.056 1.00 32.22 H new ATOM 0 HD11 LEU A 97 5.046 -20.378 -19.664 1.00 33.50 H new ATOM 0 HD12 LEU A 97 5.849 -19.204 -18.593 1.00 33.50 H new ATOM 0 HD13 LEU A 97 5.711 -18.870 -20.336 1.00 33.50 H new ATOM 0 HD21 LEU A 97 6.371 -21.742 -21.237 1.00 13.34 H new ATOM 0 HD22 LEU A 97 7.087 -20.288 -21.971 1.00 13.34 H new ATOM 0 HD23 LEU A 97 8.140 -21.563 -21.315 1.00 13.34 H new ATOM 1483 N ALA A 98 9.242 -16.351 -19.429 1.00 51.02 N ATOM 1484 CA ALA A 98 9.220 -15.095 -18.690 1.00 72.21 C ATOM 1485 C ALA A 98 9.101 -13.904 -19.636 1.00 74.34 C ATOM 1486 O ALA A 98 8.243 -13.040 -19.456 1.00 70.15 O ATOM 1487 CB ALA A 98 10.468 -14.965 -17.831 1.00 43.44 C ATOM 0 H ALA A 98 10.161 -16.789 -19.490 1.00 51.02 H new ATOM 0 HA ALA A 98 8.345 -15.100 -18.041 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.437 -14.022 -17.285 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.510 -15.793 -17.123 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.352 -14.987 -18.468 1.00 43.44 H new ATOM 1493 N ALA A 99 9.967 -13.865 -20.643 1.00 41.25 N ATOM 1494 CA ALA A 99 9.957 -12.782 -21.617 1.00 41.24 C ATOM 1495 C ALA A 99 8.551 -12.536 -22.154 1.00 64.45 C ATOM 1496 O ALA A 99 8.121 -11.392 -22.299 1.00 63.22 O ATOM 1497 CB ALA A 99 10.913 -13.091 -22.761 1.00 14.33 C ATOM 0 H ALA A 99 10.685 -14.572 -20.805 1.00 41.25 H new ATOM 0 HA ALA A 99 10.289 -11.874 -21.114 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.895 -12.273 -23.481 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.924 -13.208 -22.369 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.606 -14.014 -23.253 1.00 14.33 H new ATOM 1503 N LYS A 100 7.837 -13.618 -22.446 1.00 1.23 N ATOM 1504 CA LYS A 100 6.479 -13.523 -22.965 1.00 72.44 C ATOM 1505 C LYS A 100 5.611 -12.652 -22.062 1.00 13.34 C ATOM 1506 O LYS A 100 4.802 -11.855 -22.540 1.00 61.21 O ATOM 1507 CB LYS A 100 5.860 -14.916 -23.095 1.00 31.43 C ATOM 1508 CG LYS A 100 5.396 -15.249 -24.502 1.00 4.53 C ATOM 1509 CD LYS A 100 5.267 -16.748 -24.707 1.00 22.41 C ATOM 1510 CE LYS A 100 5.113 -17.098 -26.180 1.00 35.11 C ATOM 1511 NZ LYS A 100 4.803 -18.541 -26.377 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.178 -14.573 -22.331 1.00 1.23 H new ATOM 0 HA LYS A 100 6.526 -13.061 -23.951 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.591 -15.660 -22.777 1.00 31.43 H new ATOM 0 HB3 LYS A 100 5.012 -14.992 -22.415 1.00 31.43 H new ATOM 0 HG2 LYS A 100 4.435 -14.771 -24.692 1.00 4.53 H new ATOM 0 HG3 LYS A 100 6.103 -14.842 -25.225 1.00 4.53 H new ATOM 0 HD2 LYS A 100 6.147 -17.249 -24.303 1.00 22.41 H new ATOM 0 HD3 LYS A 100 4.406 -17.120 -24.152 1.00 22.41 H new ATOM 0 HE2 LYS A 100 4.318 -16.493 -26.616 1.00 35.11 H new ATOM 0 HE3 LYS A 100 6.032 -16.848 -26.711 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 4.706 -18.740 -27.393 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 5.573 -19.118 -25.984 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 3.913 -18.774 -25.892 1.00 40.13 H new ATOM 1525 N LEU A 101 5.786 -12.807 -20.754 1.00 12.30 N ATOM 1526 CA LEU A 101 5.020 -12.033 -19.783 1.00 3.23 C ATOM 1527 C LEU A 101 5.344 -10.546 -19.894 1.00 62.45 C ATOM 1528 O LEU A 101 4.452 -9.718 -20.078 1.00 14.21 O ATOM 1529 CB LEU A 101 5.311 -12.526 -18.364 1.00 62.20 C ATOM 1530 CG LEU A 101 4.136 -13.163 -17.621 1.00 45.40 C ATOM 1531 CD1 LEU A 101 3.521 -14.278 -18.451 1.00 50.44 C ATOM 1532 CD2 LEU A 101 4.587 -13.690 -16.266 1.00 34.24 C ATOM 0 H LEU A 101 6.451 -13.461 -20.342 1.00 12.30 H new ATOM 0 HA LEU A 101 3.961 -12.172 -19.999 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.122 -13.253 -18.413 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.674 -11.683 -17.775 1.00 62.20 H new ATOM 0 HG LEU A 101 3.376 -12.399 -17.458 1.00 45.40 H new ATOM 0 HD11 LEU A 101 2.687 -14.719 -17.906 1.00 50.44 H new ATOM 0 HD12 LEU A 101 3.163 -13.872 -19.397 1.00 50.44 H new ATOM 0 HD13 LEU A 101 4.272 -15.043 -18.646 1.00 50.44 H new ATOM 0 HD21 LEU A 101 3.739 -14.140 -15.750 1.00 34.24 H new ATOM 0 HD22 LEU A 101 5.365 -14.440 -16.408 1.00 34.24 H new ATOM 0 HD23 LEU A 101 4.980 -12.868 -15.668 1.00 34.24 H new ATOM 1544 N ALA A 102 6.627 -10.216 -19.781 1.00 31.42 N ATOM 1545 CA ALA A 102 7.069 -8.830 -19.873 1.00 1.32 C ATOM 1546 C ALA A 102 6.462 -8.139 -21.089 1.00 62.44 C ATOM 1547 O ALA A 102 6.252 -6.927 -21.084 1.00 20.35 O ATOM 1548 CB ALA A 102 8.588 -8.764 -19.930 1.00 64.24 C ATOM 0 H ALA A 102 7.377 -10.889 -19.626 1.00 31.42 H new ATOM 0 HA ALA A 102 6.726 -8.305 -18.981 1.00 1.32 H new ATOM 0 HB1 ALA A 102 8.905 -7.723 -19.999 1.00 64.24 H new ATOM 0 HB2 ALA A 102 9.006 -9.212 -19.028 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.943 -9.310 -20.804 1.00 64.24 H new ATOM 1554 N GLU A 103 6.184 -8.919 -22.130 1.00 45.13 N ATOM 1555 CA GLU A 103 5.603 -8.380 -23.353 1.00 0.13 C ATOM 1556 C GLU A 103 4.119 -8.078 -23.164 1.00 54.13 C ATOM 1557 O GLU A 103 3.632 -7.023 -23.571 1.00 43.44 O ATOM 1558 CB GLU A 103 5.791 -9.364 -24.510 1.00 65.34 C ATOM 1559 CG GLU A 103 5.865 -8.696 -25.872 1.00 71.40 C ATOM 1560 CD GLU A 103 4.550 -8.756 -26.624 1.00 43.23 C ATOM 1561 OE1 GLU A 103 3.506 -8.433 -26.019 1.00 35.33 O ATOM 1562 OE2 GLU A 103 4.564 -9.124 -27.817 1.00 44.42 O1- ATOM 0 H GLU A 103 6.352 -9.925 -22.150 1.00 45.13 H new ATOM 0 HA GLU A 103 6.118 -7.449 -23.590 1.00 0.13 H new ATOM 0 HB2 GLU A 103 6.705 -9.935 -24.345 1.00 65.34 H new ATOM 0 HB3 GLU A 103 4.965 -10.076 -24.508 1.00 65.34 H new ATOM 0 HG2 GLU A 103 6.160 -7.654 -25.746 1.00 71.40 H new ATOM 0 HG3 GLU A 103 6.641 -9.177 -26.467 1.00 71.40 H new ATOM 1569 N VAL A 104 3.405 -9.013 -22.544 1.00 33.41 N ATOM 1570 CA VAL A 104 1.977 -8.847 -22.299 1.00 23.33 C ATOM 1571 C VAL A 104 1.720 -7.763 -21.259 1.00 20.50 C ATOM 1572 O VAL A 104 0.619 -7.220 -21.175 1.00 4.15 O ATOM 1573 CB VAL A 104 1.334 -10.164 -21.824 1.00 33.51 C ATOM 1574 CG1 VAL A 104 1.447 -10.297 -20.312 1.00 74.10 C ATOM 1575 CG2 VAL A 104 -0.119 -10.236 -22.266 1.00 43.11 C ATOM 0 H VAL A 104 3.792 -9.893 -22.202 1.00 33.41 H new ATOM 0 HA VAL A 104 1.525 -8.551 -23.245 1.00 23.33 H new ATOM 0 HB VAL A 104 1.870 -10.996 -22.280 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.988 -11.233 -19.994 1.00 74.10 H new ATOM 0 HG12 VAL A 104 2.498 -10.292 -20.024 1.00 74.10 H new ATOM 0 HG13 VAL A 104 0.936 -9.461 -19.834 1.00 74.10 H new ATOM 0 HG21 VAL A 104 -0.558 -11.173 -21.922 1.00 43.11 H new ATOM 0 HG22 VAL A 104 -0.671 -9.398 -21.839 1.00 43.11 H new ATOM 0 HG23 VAL A 104 -0.171 -10.189 -23.354 1.00 43.11 H new ATOM 1585 N ILE A 105 2.743 -7.453 -20.470 1.00 64.50 N ATOM 1586 CA ILE A 105 2.627 -6.432 -19.436 1.00 64.45 C ATOM 1587 C ILE A 105 2.526 -5.039 -20.049 1.00 25.40 C ATOM 1588 O ILE A 105 1.907 -4.141 -19.477 1.00 74.01 O ATOM 1589 CB ILE A 105 3.826 -6.470 -18.471 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.780 -7.737 -17.615 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.837 -5.230 -17.590 1.00 10.31 C ATOM 1592 CD1 ILE A 105 5.019 -7.944 -16.773 1.00 20.20 C ATOM 0 H ILE A 105 3.661 -7.894 -20.527 1.00 64.50 H new ATOM 0 HA ILE A 105 1.716 -6.649 -18.879 1.00 64.45 H new ATOM 0 HB ILE A 105 4.745 -6.483 -19.058 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.909 -7.692 -16.961 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.645 -8.601 -18.266 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.691 -5.272 -16.913 1.00 10.31 H new ATOM 0 HG22 ILE A 105 3.913 -4.340 -18.215 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.916 -5.188 -17.009 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.916 -8.861 -16.193 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.891 -8.022 -17.422 1.00 20.20 H new ATOM 0 HD13 ILE A 105 5.144 -7.099 -16.096 1.00 20.20 H new