USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.33) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -21:sc= 0.26! USER MOD Single : A 15 GLN : amide:sc= -2.63! K(o=-2.6!,f=-0.24) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 53 GLN : amide:sc= -1.92 K(o=-1.9,f=-7.8!) USER MOD Single : A 59 SER OG : rot -170:sc= -0.462 USER MOD Single : A 70 GLN : amide:sc= -10.1! C(o=-10!,f=-4!) USER MOD Single : A 74 THR OG1 : rot 98:sc= 1.19 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 171:sc= -0.115 (180deg=-0.182) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 96 SER OG : rot 104:sc= 0.993 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -1.03 K(o=-1,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 4.470 12.003 -16.134 1.00 1.00 N ATOM 47 CA GLU A 4 4.778 11.386 -14.849 1.00 1.00 C ATOM 48 C GLU A 4 3.726 11.758 -13.809 1.00 1.00 C ATOM 49 O GLU A 4 3.357 10.942 -12.965 1.00 1.00 O ATOM 50 CB GLU A 4 6.157 11.842 -14.366 1.00 1.00 C ATOM 51 CG GLU A 4 6.525 11.089 -13.086 1.00 1.00 C ATOM 52 CD GLU A 4 7.937 11.463 -12.648 1.00 1.00 C ATOM 53 OE1 GLU A 4 8.758 11.712 -13.514 1.00 1.00 O ATOM 54 OE2 GLU A 4 8.175 11.494 -11.452 1.00 1.00 O ATOM 0 HA GLU A 4 4.778 10.304 -14.979 1.00 1.00 H new ATOM 0 HB2 GLU A 4 6.904 11.656 -15.138 1.00 1.00 H new ATOM 0 HB3 GLU A 4 6.152 12.916 -14.180 1.00 1.00 H new ATOM 0 HG2 GLU A 4 5.814 11.330 -12.295 1.00 1.00 H new ATOM 0 HG3 GLU A 4 6.461 10.014 -13.255 1.00 1.00 H new ATOM 61 N LEU A 5 3.244 12.994 -13.876 1.00 1.00 N ATOM 62 CA LEU A 5 2.231 13.462 -12.935 1.00 1.00 C ATOM 63 C LEU A 5 0.868 12.873 -13.281 1.00 1.00 C ATOM 64 O LEU A 5 0.152 12.387 -12.407 1.00 1.00 O ATOM 65 CB LEU A 5 2.152 14.990 -12.968 1.00 1.00 C ATOM 66 CG LEU A 5 2.584 15.553 -11.612 1.00 1.00 C ATOM 67 CD1 LEU A 5 2.655 17.079 -11.694 1.00 1.00 C ATOM 68 CD2 LEU A 5 1.563 15.148 -10.546 1.00 1.00 C ATOM 0 H LEU A 5 3.535 13.686 -14.566 1.00 1.00 H new ATOM 0 HA LEU A 5 2.513 13.135 -11.934 1.00 1.00 H new ATOM 0 HB2 LEU A 5 2.794 15.381 -13.757 1.00 1.00 H new ATOM 0 HB3 LEU A 5 1.135 15.307 -13.198 1.00 1.00 H new ATOM 0 HG LEU A 5 3.564 15.157 -11.348 1.00 1.00 H new ATOM 0 HD11 LEU A 5 2.963 17.481 -10.729 1.00 1.00 H new ATOM 0 HD12 LEU A 5 3.379 17.369 -12.455 1.00 1.00 H new ATOM 0 HD13 LEU A 5 1.674 17.475 -11.956 1.00 1.00 H new ATOM 0 HD21 LEU A 5 1.868 15.548 -9.579 1.00 1.00 H new ATOM 0 HD22 LEU A 5 0.583 15.546 -10.810 1.00 1.00 H new ATOM 0 HD23 LEU A 5 1.509 14.061 -10.488 1.00 1.00 H new ATOM 80 N GLN A 6 0.516 12.921 -14.562 1.00 1.00 N ATOM 81 CA GLN A 6 -0.765 12.388 -15.012 1.00 1.00 C ATOM 82 C GLN A 6 -0.820 10.878 -14.804 1.00 1.00 C ATOM 83 O GLN A 6 -1.888 10.312 -14.572 1.00 1.00 O ATOM 84 CB GLN A 6 -0.972 12.708 -16.494 1.00 1.00 C ATOM 85 CG GLN A 6 -0.759 14.205 -16.726 1.00 1.00 C ATOM 86 CD GLN A 6 -1.336 14.609 -18.079 1.00 1.00 C ATOM 87 OE1 GLN A 6 -2.481 14.282 -18.390 1.00 1.00 O ATOM 88 NE2 GLN A 6 -0.606 15.305 -18.908 1.00 1.00 N ATOM 0 H GLN A 6 1.094 13.320 -15.301 1.00 1.00 H new ATOM 0 HA GLN A 6 -1.557 12.853 -14.425 1.00 1.00 H new ATOM 0 HB2 GLN A 6 -0.275 12.132 -17.102 1.00 1.00 H new ATOM 0 HB3 GLN A 6 -1.977 12.421 -16.802 1.00 1.00 H new ATOM 0 HG2 GLN A 6 -1.238 14.777 -15.931 1.00 1.00 H new ATOM 0 HG3 GLN A 6 0.305 14.439 -16.690 1.00 1.00 H new ATOM 0 HE21 GLN A 6 0.343 15.575 -18.649 1.00 1.00 H new ATOM 0 HE22 GLN A 6 -0.984 15.579 -19.815 1.00 1.00 H new ATOM 97 N CYS A 7 0.338 10.231 -14.886 1.00 1.00 N ATOM 98 CA CYS A 7 0.411 8.787 -14.703 1.00 1.00 C ATOM 99 C CYS A 7 -0.293 8.376 -13.415 1.00 1.00 C ATOM 100 O CYS A 7 -1.006 7.373 -13.378 1.00 1.00 O ATOM 101 CB CYS A 7 1.873 8.338 -14.655 1.00 1.00 C ATOM 102 SG CYS A 7 2.084 6.857 -15.674 1.00 1.00 S ATOM 0 H CYS A 7 1.233 10.681 -15.077 1.00 1.00 H new ATOM 0 HA CYS A 7 -0.087 8.307 -15.546 1.00 1.00 H new ATOM 0 HB2 CYS A 7 2.522 9.136 -15.016 1.00 1.00 H new ATOM 0 HB3 CYS A 7 2.167 8.129 -13.626 1.00 1.00 H new ATOM 0 HG CYS A 7 3.327 6.477 -15.635 1.00 1.00 H new ATOM 107 N ILE A 8 -0.091 9.161 -12.361 1.00 1.00 N ATOM 108 CA ILE A 8 -0.715 8.872 -11.075 1.00 1.00 C ATOM 109 C ILE A 8 -2.216 9.132 -11.140 1.00 1.00 C ATOM 110 O ILE A 8 -3.016 8.338 -10.644 1.00 1.00 O ATOM 111 CB ILE A 8 -0.086 9.744 -9.986 1.00 1.00 C ATOM 112 CG1 ILE A 8 1.219 9.103 -9.512 1.00 1.00 C ATOM 113 CG2 ILE A 8 -1.051 9.867 -8.805 1.00 1.00 C ATOM 114 CD1 ILE A 8 2.010 10.110 -8.676 1.00 1.00 C ATOM 0 H ILE A 8 0.495 9.996 -12.371 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.552 7.821 -10.837 1.00 1.00 H new ATOM 0 HB ILE A 8 0.119 10.735 -10.390 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.005 8.213 -8.921 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.811 8.782 -10.369 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.601 10.488 -8.031 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.982 10.324 -9.142 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.259 8.877 -8.400 1.00 1.00 H new ATOM 0 HD11 ILE A 8 2.940 9.652 -8.339 1.00 1.00 H new ATOM 0 HD12 ILE A 8 2.236 10.987 -9.282 1.00 1.00 H new ATOM 0 HD13 ILE A 8 1.418 10.409 -7.811 1.00 1.00 H new ATOM 126 N ARG A 9 -2.591 10.253 -11.748 1.00 1.00 N ATOM 127 CA ARG A 9 -3.998 10.615 -11.869 1.00 1.00 C ATOM 128 C ARG A 9 -4.760 9.567 -12.673 1.00 1.00 C ATOM 129 O ARG A 9 -5.896 9.225 -12.345 1.00 1.00 O ATOM 130 CB ARG A 9 -4.129 11.978 -12.553 1.00 1.00 C ATOM 131 CG ARG A 9 -3.499 13.056 -11.667 1.00 1.00 C ATOM 132 CD ARG A 9 -4.602 13.842 -10.956 1.00 1.00 C ATOM 133 NE ARG A 9 -5.467 14.492 -11.934 1.00 1.00 N ATOM 134 CZ ARG A 9 -5.057 15.559 -12.613 1.00 1.00 C ATOM 135 NH1 ARG A 9 -3.861 16.041 -12.410 1.00 1.00 N ATOM 136 NH2 ARG A 9 -5.851 16.124 -13.481 1.00 1.00 N ATOM 0 H ARG A 9 -1.943 10.923 -12.163 1.00 1.00 H new ATOM 0 HA ARG A 9 -4.425 10.666 -10.867 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -3.637 11.958 -13.525 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -5.179 12.207 -12.732 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -2.835 12.597 -10.934 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -2.891 13.729 -12.272 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -5.190 13.172 -10.328 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -4.159 14.589 -10.297 1.00 1.00 H new ATOM 0 HE ARG A 9 -6.403 14.122 -12.100 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -3.242 15.599 -11.731 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -3.546 16.860 -12.931 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -6.786 15.747 -13.638 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -5.537 16.943 -14.002 1.00 1.00 H new ATOM 150 N GLU A 10 -4.129 9.059 -13.727 1.00 1.00 N ATOM 151 CA GLU A 10 -4.763 8.049 -14.569 1.00 1.00 C ATOM 152 C GLU A 10 -5.081 6.798 -13.757 1.00 1.00 C ATOM 153 O GLU A 10 -6.174 6.242 -13.859 1.00 1.00 O ATOM 154 CB GLU A 10 -3.839 7.685 -15.732 1.00 1.00 C ATOM 155 CG GLU A 10 -3.848 8.813 -16.765 1.00 1.00 C ATOM 156 CD GLU A 10 -4.753 8.442 -17.934 1.00 1.00 C ATOM 157 OE1 GLU A 10 -4.582 7.360 -18.472 1.00 1.00 O ATOM 158 OE2 GLU A 10 -5.603 9.248 -18.278 1.00 1.00 O ATOM 0 H GLU A 10 -3.188 9.326 -14.017 1.00 1.00 H new ATOM 0 HA GLU A 10 -5.694 8.460 -14.960 1.00 1.00 H new ATOM 0 HB2 GLU A 10 -2.825 7.520 -15.367 1.00 1.00 H new ATOM 0 HB3 GLU A 10 -4.167 6.753 -16.193 1.00 1.00 H new ATOM 0 HG2 GLU A 10 -4.196 9.737 -16.304 1.00 1.00 H new ATOM 0 HG3 GLU A 10 -2.835 8.998 -17.123 1.00 1.00 H new ATOM 165 N CYS A 11 -4.119 6.360 -12.952 1.00 1.00 N ATOM 166 CA CYS A 11 -4.310 5.173 -12.127 1.00 1.00 C ATOM 167 C CYS A 11 -5.276 5.466 -10.983 1.00 1.00 C ATOM 168 O CYS A 11 -5.943 4.565 -10.476 1.00 1.00 O ATOM 169 CB CYS A 11 -2.967 4.711 -11.558 1.00 1.00 C ATOM 170 SG CYS A 11 -3.253 3.703 -10.082 1.00 1.00 S ATOM 0 H CYS A 11 -3.206 6.805 -12.853 1.00 1.00 H new ATOM 0 HA CYS A 11 -4.731 4.384 -12.750 1.00 1.00 H new ATOM 0 HB2 CYS A 11 -2.422 4.134 -12.305 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -2.349 5.574 -11.308 1.00 1.00 H new ATOM 0 HG CYS A 11 -4.435 3.958 -9.605 1.00 1.00 H new ATOM 175 N ARG A 12 -5.345 6.731 -10.582 1.00 1.00 N ATOM 176 CA ARG A 12 -6.234 7.131 -9.497 1.00 1.00 C ATOM 177 C ARG A 12 -7.691 6.897 -9.883 1.00 1.00 C ATOM 178 O ARG A 12 -8.450 6.280 -9.135 1.00 1.00 O ATOM 179 CB ARG A 12 -6.024 8.610 -9.170 1.00 1.00 C ATOM 180 CG ARG A 12 -6.471 8.882 -7.731 1.00 1.00 C ATOM 181 CD ARG A 12 -6.277 10.364 -7.400 1.00 1.00 C ATOM 182 NE ARG A 12 -4.972 10.582 -6.789 1.00 1.00 N ATOM 183 CZ ARG A 12 -4.450 11.801 -6.701 1.00 1.00 C ATOM 184 NH1 ARG A 12 -5.105 12.826 -7.175 1.00 1.00 N ATOM 185 NH2 ARG A 12 -3.283 11.973 -6.144 1.00 1.00 N ATOM 0 H ARG A 12 -4.801 7.492 -10.988 1.00 1.00 H new ATOM 0 HA ARG A 12 -6.001 6.527 -8.620 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -4.974 8.875 -9.292 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -6.592 9.231 -9.862 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -7.518 8.606 -7.607 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -5.896 8.267 -7.039 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -6.364 10.960 -8.308 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -7.063 10.698 -6.723 1.00 1.00 H new ATOM 0 HE ARG A 12 -4.450 9.786 -6.423 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -6.017 12.691 -7.612 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -4.705 13.762 -7.108 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -2.771 11.172 -5.776 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -2.883 12.909 -6.077 1.00 1.00 H new ATOM 199 N LEU A 13 -8.077 7.395 -11.054 1.00 1.00 N ATOM 200 CA LEU A 13 -9.448 7.232 -11.527 1.00 1.00 C ATOM 201 C LEU A 13 -9.715 5.782 -11.910 1.00 1.00 C ATOM 202 O LEU A 13 -10.693 5.183 -11.466 1.00 1.00 O ATOM 203 CB LEU A 13 -9.692 8.134 -12.740 1.00 1.00 C ATOM 204 CG LEU A 13 -11.082 7.855 -13.322 1.00 1.00 C ATOM 205 CD1 LEU A 13 -11.763 9.178 -13.667 1.00 1.00 C ATOM 206 CD2 LEU A 13 -10.951 7.011 -14.592 1.00 1.00 C ATOM 0 H LEU A 13 -7.466 7.910 -11.688 1.00 1.00 H new ATOM 0 HA LEU A 13 -10.126 7.513 -10.721 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -9.613 9.181 -12.448 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -8.928 7.956 -13.497 1.00 1.00 H new ATOM 0 HG LEU A 13 -11.677 7.314 -12.586 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -12.752 8.981 -14.081 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -11.861 9.783 -12.765 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -11.163 9.716 -14.401 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -11.942 6.815 -15.002 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -10.354 7.550 -15.327 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -10.464 6.066 -14.352 1.00 1.00 H new ATOM 218 N ALA A 14 -8.846 5.228 -12.745 1.00 1.00 N ATOM 219 CA ALA A 14 -9.004 3.852 -13.192 1.00 1.00 C ATOM 220 C ALA A 14 -9.125 2.907 -12.001 1.00 1.00 C ATOM 221 O ALA A 14 -9.732 1.841 -12.104 1.00 1.00 O ATOM 222 CB ALA A 14 -7.810 3.441 -14.054 1.00 1.00 C ATOM 0 H ALA A 14 -8.029 5.707 -13.124 1.00 1.00 H new ATOM 0 HA ALA A 14 -9.918 3.788 -13.783 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -7.937 2.410 -14.384 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -7.747 4.095 -14.924 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -6.894 3.525 -13.470 1.00 1.00 H new ATOM 228 N GLN A 15 -8.548 3.304 -10.871 1.00 1.00 N ATOM 229 CA GLN A 15 -8.602 2.481 -9.669 1.00 1.00 C ATOM 230 C GLN A 15 -10.025 2.425 -9.124 1.00 1.00 C ATOM 231 O GLN A 15 -10.468 1.392 -8.622 1.00 1.00 O ATOM 232 CB GLN A 15 -7.666 3.051 -8.602 1.00 1.00 C ATOM 233 CG GLN A 15 -6.321 2.325 -8.662 1.00 1.00 C ATOM 234 CD GLN A 15 -6.462 0.918 -8.092 1.00 1.00 C ATOM 235 OE1 GLN A 15 -5.476 0.188 -7.988 1.00 1.00 O ATOM 236 NE2 GLN A 15 -7.637 0.493 -7.715 1.00 1.00 N ATOM 0 H GLN A 15 -8.042 4.183 -10.763 1.00 1.00 H new ATOM 0 HA GLN A 15 -8.283 1.471 -9.927 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -7.522 4.119 -8.763 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -8.110 2.934 -7.614 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -5.971 2.275 -9.693 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -5.573 2.881 -8.098 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -8.451 1.101 -7.803 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -7.741 -0.447 -7.333 1.00 1.00 H new ATOM 598 N ALA A 45 6.512 -10.325 -5.671 1.00 1.00 N ATOM 599 CA ALA A 45 7.949 -10.563 -5.700 1.00 1.00 C ATOM 600 C ALA A 45 8.702 -9.378 -5.102 1.00 1.00 C ATOM 601 O ALA A 45 9.762 -9.545 -4.499 1.00 1.00 O ATOM 602 CB ALA A 45 8.413 -10.793 -7.139 1.00 1.00 C ATOM 0 HA ALA A 45 8.162 -11.451 -5.105 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.488 -10.970 -7.151 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.898 -11.660 -7.553 1.00 1.00 H new ATOM 0 HB3 ALA A 45 8.184 -9.913 -7.740 1.00 1.00 H new ATOM 608 N ILE A 46 8.148 -8.183 -5.279 1.00 1.00 N ATOM 609 CA ILE A 46 8.775 -6.974 -4.756 1.00 1.00 C ATOM 610 C ILE A 46 8.039 -6.484 -3.512 1.00 1.00 C ATOM 611 O ILE A 46 8.619 -5.807 -2.663 1.00 1.00 O ATOM 612 CB ILE A 46 8.760 -5.878 -5.823 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.338 -5.714 -6.361 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.694 -6.265 -6.971 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.273 -4.484 -7.269 1.00 1.00 C ATOM 0 H ILE A 46 7.272 -8.026 -5.777 1.00 1.00 H new ATOM 0 HA ILE A 46 9.805 -7.207 -4.487 1.00 1.00 H new ATOM 0 HB ILE A 46 9.097 -4.940 -5.382 1.00 1.00 H new ATOM 0 HG12 ILE A 46 7.043 -6.605 -6.916 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.636 -5.606 -5.535 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.681 -5.483 -7.730 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.708 -6.385 -6.590 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.359 -7.204 -7.412 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.259 -4.368 -7.652 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.550 -3.597 -6.700 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.964 -4.610 -8.103 1.00 1.00 H new ATOM 627 N ALA A 47 6.761 -6.833 -3.410 1.00 1.00 N ATOM 628 CA ALA A 47 5.958 -6.424 -2.263 1.00 1.00 C ATOM 629 C ALA A 47 6.481 -7.071 -0.985 1.00 1.00 C ATOM 630 O ALA A 47 6.296 -6.542 0.111 1.00 1.00 O ATOM 631 CB ALA A 47 4.496 -6.822 -2.478 1.00 1.00 C ATOM 0 H ALA A 47 6.262 -7.393 -4.101 1.00 1.00 H new ATOM 0 HA ALA A 47 6.027 -5.341 -2.163 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.904 -6.513 -1.617 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.114 -6.334 -3.375 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.427 -7.903 -2.596 1.00 1.00 H new ATOM 637 N ASN A 48 7.138 -8.216 -1.136 1.00 1.00 N ATOM 638 CA ASN A 48 7.689 -8.926 0.012 1.00 1.00 C ATOM 639 C ASN A 48 9.042 -8.340 0.387 1.00 1.00 C ATOM 640 O ASN A 48 9.500 -8.478 1.521 1.00 1.00 O ATOM 641 CB ASN A 48 7.844 -10.411 -0.316 1.00 1.00 C ATOM 642 CG ASN A 48 6.492 -11.111 -0.234 1.00 1.00 C ATOM 643 OD1 ASN A 48 5.849 -11.095 0.816 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.023 -11.729 -1.283 1.00 1.00 N ATOM 0 H ASN A 48 7.301 -8.669 -2.035 1.00 1.00 H new ATOM 0 HA ASN A 48 7.006 -8.815 0.854 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.263 -10.529 -1.315 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.544 -10.874 0.380 1.00 1.00 H new ATOM 0 HD21 ASN A 48 5.120 -12.201 -1.235 1.00 1.00 H new ATOM 0 HD22 ASN A 48 6.559 -11.740 -2.151 1.00 1.00 H new ATOM 651 N PHE A 49 9.675 -7.681 -0.577 1.00 1.00 N ATOM 652 CA PHE A 49 10.975 -7.071 -0.347 1.00 1.00 C ATOM 653 C PHE A 49 10.850 -5.903 0.626 1.00 1.00 C ATOM 654 O PHE A 49 11.817 -5.185 0.877 1.00 1.00 O ATOM 655 CB PHE A 49 11.559 -6.581 -1.672 1.00 1.00 C ATOM 656 CG PHE A 49 12.746 -7.439 -2.041 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.574 -8.816 -2.233 1.00 1.00 C ATOM 658 CD2 PHE A 49 14.014 -6.864 -2.188 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.671 -9.618 -2.571 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.110 -7.666 -2.525 1.00 1.00 C ATOM 661 CZ PHE A 49 14.940 -9.042 -2.718 1.00 1.00 C ATOM 0 H PHE A 49 9.309 -7.557 -1.521 1.00 1.00 H new ATOM 0 HA PHE A 49 11.640 -7.818 0.086 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.803 -6.629 -2.456 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.863 -5.538 -1.585 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.595 -9.259 -2.120 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.146 -5.802 -2.041 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.539 -10.680 -2.718 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.089 -7.223 -2.636 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.786 -9.659 -2.980 1.00 1.00 H new ATOM 671 N LEU A 50 9.651 -5.727 1.174 1.00 1.00 N ATOM 672 CA LEU A 50 9.396 -4.650 2.128 1.00 1.00 C ATOM 673 C LEU A 50 8.794 -5.221 3.411 1.00 1.00 C ATOM 674 O LEU A 50 7.636 -5.639 3.435 1.00 1.00 O ATOM 675 CB LEU A 50 8.435 -3.624 1.510 1.00 1.00 C ATOM 676 CG LEU A 50 9.176 -2.744 0.487 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.456 -2.799 -0.863 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.195 -1.295 0.979 1.00 1.00 C ATOM 0 H LEU A 50 8.841 -6.315 0.975 1.00 1.00 H new ATOM 0 HA LEU A 50 10.338 -4.157 2.368 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.606 -4.139 1.024 1.00 1.00 H new ATOM 0 HB3 LEU A 50 8.006 -2.999 2.294 1.00 1.00 H new ATOM 0 HG LEU A 50 10.196 -3.112 0.374 1.00 1.00 H new ATOM 0 HD11 LEU A 50 8.985 -2.174 -1.583 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.434 -3.828 -1.222 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.436 -2.434 -0.746 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.720 -0.672 0.255 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.172 -0.936 1.093 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.707 -1.244 1.940 1.00 1.00 H new ATOM 690 N GLU A 51 9.596 -5.245 4.474 1.00 1.00 N ATOM 691 CA GLU A 51 9.145 -5.777 5.758 1.00 1.00 C ATOM 692 C GLU A 51 7.840 -5.103 6.208 1.00 1.00 C ATOM 693 O GLU A 51 7.549 -3.982 5.791 1.00 1.00 O ATOM 694 CB GLU A 51 10.228 -5.555 6.821 1.00 1.00 C ATOM 695 CG GLU A 51 11.189 -6.744 6.840 1.00 1.00 C ATOM 696 CD GLU A 51 10.494 -7.970 7.424 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.512 -8.116 8.636 1.00 1.00 O ATOM 698 OE2 GLU A 51 9.945 -8.741 6.653 1.00 1.00 O ATOM 0 H GLU A 51 10.557 -4.904 4.472 1.00 1.00 H new ATOM 0 HA GLU A 51 8.959 -6.844 5.637 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.776 -4.637 6.609 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.768 -5.432 7.801 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.534 -6.959 5.829 1.00 1.00 H new ATOM 0 HG3 GLU A 51 12.071 -6.500 7.432 1.00 1.00 H new ATOM 705 N PRO A 52 7.057 -5.748 7.052 1.00 1.00 N ATOM 706 CA PRO A 52 5.777 -5.159 7.553 1.00 1.00 C ATOM 707 C PRO A 52 5.971 -3.767 8.154 1.00 1.00 C ATOM 708 O PRO A 52 5.262 -2.824 7.800 1.00 1.00 O ATOM 709 CB PRO A 52 5.301 -6.128 8.638 1.00 1.00 C ATOM 710 CG PRO A 52 6.045 -7.405 8.435 1.00 1.00 C ATOM 711 CD PRO A 52 7.294 -7.095 7.610 1.00 1.00 C ATOM 0 HA PRO A 52 5.063 -5.035 6.738 1.00 1.00 H new ATOM 0 HB2 PRO A 52 5.495 -5.722 9.631 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.226 -6.292 8.565 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.320 -7.843 9.394 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.419 -8.134 7.920 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.191 -7.114 8.229 1.00 1.00 H new ATOM 0 HD3 PRO A 52 7.437 -7.831 6.819 1.00 1.00 H new ATOM 719 N GLN A 53 6.927 -3.647 9.071 1.00 1.00 N ATOM 720 CA GLN A 53 7.193 -2.366 9.718 1.00 1.00 C ATOM 721 C GLN A 53 7.597 -1.326 8.680 1.00 1.00 C ATOM 722 O GLN A 53 7.165 -0.175 8.736 1.00 1.00 O ATOM 723 CB GLN A 53 8.313 -2.523 10.749 1.00 1.00 C ATOM 724 CG GLN A 53 7.763 -2.249 12.151 1.00 1.00 C ATOM 725 CD GLN A 53 7.378 -0.778 12.280 1.00 1.00 C ATOM 726 OE1 GLN A 53 7.155 -0.104 11.276 1.00 1.00 O ATOM 727 NE2 GLN A 53 7.291 -0.238 13.465 1.00 1.00 N ATOM 0 H GLN A 53 7.525 -4.413 9.381 1.00 1.00 H new ATOM 0 HA GLN A 53 6.285 -2.034 10.221 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.727 -3.530 10.700 1.00 1.00 H new ATOM 0 HB3 GLN A 53 9.126 -1.833 10.525 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.894 -2.879 12.340 1.00 1.00 H new ATOM 0 HG3 GLN A 53 8.511 -2.505 12.901 1.00 1.00 H new ATOM 0 HE21 GLN A 53 7.476 -0.799 14.296 1.00 1.00 H new ATOM 0 HE22 GLN A 53 7.037 0.745 13.560 1.00 1.00 H new ATOM 736 N ALA A 54 8.414 -1.747 7.727 1.00 1.00 N ATOM 737 CA ALA A 54 8.860 -0.848 6.671 1.00 1.00 C ATOM 738 C ALA A 54 7.662 -0.341 5.881 1.00 1.00 C ATOM 739 O ALA A 54 7.681 0.765 5.336 1.00 1.00 O ATOM 740 CB ALA A 54 9.823 -1.577 5.734 1.00 1.00 C ATOM 0 H ALA A 54 8.780 -2.697 7.662 1.00 1.00 H new ATOM 0 HA ALA A 54 9.376 -0.001 7.124 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.151 -0.897 4.948 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.689 -1.923 6.299 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.317 -2.432 5.286 1.00 1.00 H new ATOM 746 N LEU A 55 6.618 -1.158 5.832 1.00 1.00 N ATOM 747 CA LEU A 55 5.407 -0.782 5.109 1.00 1.00 C ATOM 748 C LEU A 55 4.806 0.476 5.723 1.00 1.00 C ATOM 749 O LEU A 55 4.354 1.377 5.013 1.00 1.00 O ATOM 750 CB LEU A 55 4.388 -1.923 5.155 1.00 1.00 C ATOM 751 CG LEU A 55 3.786 -2.133 3.763 1.00 1.00 C ATOM 752 CD1 LEU A 55 4.802 -2.840 2.862 1.00 1.00 C ATOM 753 CD2 LEU A 55 2.526 -2.996 3.880 1.00 1.00 C ATOM 0 H LEU A 55 6.583 -2.075 6.278 1.00 1.00 H new ATOM 0 HA LEU A 55 5.665 -0.583 4.069 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.869 -2.840 5.496 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.600 -1.691 5.871 1.00 1.00 H new ATOM 0 HG LEU A 55 3.531 -1.166 3.330 1.00 1.00 H new ATOM 0 HD11 LEU A 55 4.370 -2.988 1.872 1.00 1.00 H new ATOM 0 HD12 LEU A 55 5.701 -2.229 2.778 1.00 1.00 H new ATOM 0 HD13 LEU A 55 5.060 -3.807 3.293 1.00 1.00 H new ATOM 0 HD21 LEU A 55 2.095 -3.147 2.890 1.00 1.00 H new ATOM 0 HD22 LEU A 55 2.785 -3.962 4.314 1.00 1.00 H new ATOM 0 HD23 LEU A 55 1.799 -2.494 4.519 1.00 1.00 H new ATOM 765 N GLU A 56 4.816 0.534 7.050 1.00 1.00 N ATOM 766 CA GLU A 56 4.280 1.687 7.762 1.00 1.00 C ATOM 767 C GLU A 56 5.070 2.944 7.404 1.00 1.00 C ATOM 768 O GLU A 56 4.511 4.038 7.330 1.00 1.00 O ATOM 769 CB GLU A 56 4.348 1.451 9.271 1.00 1.00 C ATOM 770 CG GLU A 56 3.013 0.887 9.761 1.00 1.00 C ATOM 771 CD GLU A 56 2.661 -0.376 8.981 1.00 1.00 C ATOM 772 OE1 GLU A 56 3.336 -1.374 9.175 1.00 1.00 O ATOM 773 OE2 GLU A 56 1.723 -0.326 8.203 1.00 1.00 O ATOM 0 H GLU A 56 5.188 -0.201 7.652 1.00 1.00 H new ATOM 0 HA GLU A 56 3.240 1.824 7.467 1.00 1.00 H new ATOM 0 HB2 GLU A 56 5.156 0.757 9.505 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.571 2.385 9.786 1.00 1.00 H new ATOM 0 HG2 GLU A 56 3.073 0.662 10.826 1.00 1.00 H new ATOM 0 HG3 GLU A 56 2.227 1.632 9.637 1.00 1.00 H new ATOM 780 N ARG A 57 6.372 2.779 7.192 1.00 1.00 N ATOM 781 CA ARG A 57 7.232 3.906 6.854 1.00 1.00 C ATOM 782 C ARG A 57 6.750 4.597 5.583 1.00 1.00 C ATOM 783 O ARG A 57 6.540 5.810 5.571 1.00 1.00 O ATOM 784 CB ARG A 57 8.672 3.426 6.654 1.00 1.00 C ATOM 785 CG ARG A 57 9.580 4.061 7.709 1.00 1.00 C ATOM 786 CD ARG A 57 9.606 5.579 7.520 1.00 1.00 C ATOM 787 NE ARG A 57 9.141 6.238 8.735 1.00 1.00 N ATOM 788 CZ ARG A 57 9.404 7.519 8.972 1.00 1.00 C ATOM 789 NH1 ARG A 57 10.090 8.215 8.107 1.00 1.00 N ATOM 790 NH2 ARG A 57 8.973 8.082 10.067 1.00 1.00 N ATOM 0 H ARG A 57 6.852 1.881 7.248 1.00 1.00 H new ATOM 0 HA ARG A 57 7.193 4.619 7.678 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.717 2.339 6.729 1.00 1.00 H new ATOM 0 HB3 ARG A 57 9.018 3.691 5.655 1.00 1.00 H new ATOM 0 HG2 ARG A 57 9.220 3.815 8.708 1.00 1.00 H new ATOM 0 HG3 ARG A 57 10.589 3.657 7.625 1.00 1.00 H new ATOM 0 HD2 ARG A 57 10.618 5.907 7.282 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.973 5.860 6.678 1.00 1.00 H new ATOM 0 HE ARG A 57 8.602 5.704 9.417 1.00 1.00 H new ATOM 0 HH11 ARG A 57 10.424 7.776 7.249 1.00 1.00 H new ATOM 0 HH12 ARG A 57 10.292 9.198 8.289 1.00 1.00 H new ATOM 0 HH21 ARG A 57 8.434 7.539 10.742 1.00 1.00 H new ATOM 0 HH22 ARG A 57 9.175 9.065 10.249 1.00 1.00 H new ATOM 804 N LEU A 58 6.574 3.826 4.514 1.00 1.00 N ATOM 805 CA LEU A 58 6.114 4.398 3.254 1.00 1.00 C ATOM 806 C LEU A 58 4.801 5.131 3.462 1.00 1.00 C ATOM 807 O LEU A 58 4.527 6.148 2.827 1.00 1.00 O ATOM 808 CB LEU A 58 5.924 3.300 2.215 1.00 1.00 C ATOM 809 CG LEU A 58 7.251 3.056 1.509 1.00 1.00 C ATOM 810 CD1 LEU A 58 7.350 1.590 1.122 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.335 3.925 0.253 1.00 1.00 C ATOM 0 H LEU A 58 6.740 2.820 4.494 1.00 1.00 H new ATOM 0 HA LEU A 58 6.867 5.101 2.898 1.00 1.00 H new ATOM 0 HB2 LEU A 58 5.577 2.384 2.693 1.00 1.00 H new ATOM 0 HB3 LEU A 58 5.161 3.591 1.493 1.00 1.00 H new ATOM 0 HG LEU A 58 8.072 3.314 2.178 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.299 1.411 0.616 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.294 0.972 2.018 1.00 1.00 H new ATOM 0 HD13 LEU A 58 6.528 1.334 0.453 1.00 1.00 H new ATOM 0 HD21 LEU A 58 8.286 3.748 -0.249 1.00 1.00 H new ATOM 0 HD22 LEU A 58 6.516 3.672 -0.420 1.00 1.00 H new ATOM 0 HD23 LEU A 58 7.263 4.976 0.532 1.00 1.00 H new ATOM 823 N SER A 59 3.994 4.606 4.363 1.00 1.00 N ATOM 824 CA SER A 59 2.711 5.219 4.665 1.00 1.00 C ATOM 825 C SER A 59 2.915 6.587 5.315 1.00 1.00 C ATOM 826 O SER A 59 2.220 7.549 4.993 1.00 1.00 O ATOM 827 CB SER A 59 1.908 4.322 5.606 1.00 1.00 C ATOM 828 OG SER A 59 2.366 2.981 5.481 1.00 1.00 O ATOM 0 H SER A 59 4.200 3.762 4.897 1.00 1.00 H new ATOM 0 HA SER A 59 2.162 5.346 3.732 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.020 4.662 6.635 1.00 1.00 H new ATOM 0 HB3 SER A 59 0.847 4.380 5.365 1.00 1.00 H new ATOM 0 HG SER A 59 1.756 2.381 5.959 1.00 1.00 H new ATOM 834 N ARG A 60 3.863 6.654 6.248 1.00 1.00 N ATOM 835 CA ARG A 60 4.144 7.897 6.965 1.00 1.00 C ATOM 836 C ARG A 60 4.733 8.976 6.054 1.00 1.00 C ATOM 837 O ARG A 60 4.304 10.129 6.099 1.00 1.00 O ATOM 838 CB ARG A 60 5.129 7.620 8.103 1.00 1.00 C ATOM 839 CG ARG A 60 5.264 8.864 8.985 1.00 1.00 C ATOM 840 CD ARG A 60 4.771 8.546 10.397 1.00 1.00 C ATOM 841 NE ARG A 60 3.399 8.050 10.352 1.00 1.00 N ATOM 842 CZ ARG A 60 2.733 7.770 11.467 1.00 1.00 C ATOM 843 NH1 ARG A 60 3.306 7.936 12.628 1.00 1.00 N ATOM 844 NH2 ARG A 60 1.508 7.328 11.401 1.00 1.00 N ATOM 0 H ARG A 60 4.448 5.865 6.525 1.00 1.00 H new ATOM 0 HA ARG A 60 3.195 8.267 7.353 1.00 1.00 H new ATOM 0 HB2 ARG A 60 4.782 6.776 8.699 1.00 1.00 H new ATOM 0 HB3 ARG A 60 6.102 7.344 7.696 1.00 1.00 H new ATOM 0 HG2 ARG A 60 6.304 9.189 9.016 1.00 1.00 H new ATOM 0 HG3 ARG A 60 4.686 9.686 8.563 1.00 1.00 H new ATOM 0 HD2 ARG A 60 5.420 7.801 10.857 1.00 1.00 H new ATOM 0 HD3 ARG A 60 4.822 9.440 11.018 1.00 1.00 H new ATOM 0 HE ARG A 60 2.944 7.916 9.449 1.00 1.00 H new ATOM 0 HH11 ARG A 60 4.265 8.281 12.679 1.00 1.00 H new ATOM 0 HH12 ARG A 60 2.795 7.721 13.484 1.00 1.00 H new ATOM 0 HH21 ARG A 60 1.061 7.197 10.493 1.00 1.00 H new ATOM 0 HH22 ARG A 60 0.997 7.113 12.257 1.00 1.00 H new ATOM 858 N VAL A 61 5.719 8.612 5.238 1.00 1.00 N ATOM 859 CA VAL A 61 6.347 9.585 4.345 1.00 1.00 C ATOM 860 C VAL A 61 5.387 10.010 3.236 1.00 1.00 C ATOM 861 O VAL A 61 5.251 11.199 2.943 1.00 1.00 O ATOM 862 CB VAL A 61 7.633 9.006 3.743 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.286 7.942 2.704 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.435 10.125 3.073 1.00 1.00 C ATOM 0 H VAL A 61 6.096 7.666 5.175 1.00 1.00 H new ATOM 0 HA VAL A 61 6.600 10.468 4.932 1.00 1.00 H new ATOM 0 HB VAL A 61 8.227 8.555 4.538 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.204 7.535 2.280 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.719 7.141 3.179 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.687 8.390 1.911 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.349 9.712 2.646 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.837 10.578 2.282 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.691 10.883 3.814 1.00 1.00 H new ATOM 874 N ALA A 62 4.734 9.035 2.614 1.00 1.00 N ATOM 875 CA ALA A 62 3.800 9.318 1.529 1.00 1.00 C ATOM 876 C ALA A 62 2.730 10.314 1.967 1.00 1.00 C ATOM 877 O ALA A 62 2.032 10.890 1.132 1.00 1.00 O ATOM 878 CB ALA A 62 3.134 8.021 1.066 1.00 1.00 C ATOM 0 H ALA A 62 4.833 8.045 2.841 1.00 1.00 H new ATOM 0 HA ALA A 62 4.362 9.758 0.705 1.00 1.00 H new ATOM 0 HB1 ALA A 62 2.438 8.239 0.256 1.00 1.00 H new ATOM 0 HB2 ALA A 62 3.896 7.327 0.713 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.593 7.572 1.899 1.00 1.00 H new ATOM 884 N LEU A 63 2.596 10.510 3.274 1.00 1.00 N ATOM 885 CA LEU A 63 1.595 11.438 3.792 1.00 1.00 C ATOM 886 C LEU A 63 2.136 12.864 3.832 1.00 1.00 C ATOM 887 O LEU A 63 1.373 13.826 3.740 1.00 1.00 O ATOM 888 CB LEU A 63 1.172 11.018 5.202 1.00 1.00 C ATOM 889 CG LEU A 63 -0.064 10.118 5.126 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.162 9.276 6.399 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.320 10.984 4.993 1.00 1.00 C ATOM 0 H LEU A 63 3.159 10.046 3.987 1.00 1.00 H new ATOM 0 HA LEU A 63 0.734 11.410 3.124 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.988 10.489 5.694 1.00 1.00 H new ATOM 0 HB3 LEU A 63 0.954 11.900 5.804 1.00 1.00 H new ATOM 0 HG LEU A 63 0.020 9.461 4.260 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.042 8.635 6.345 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.731 8.658 6.496 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -0.245 9.933 7.265 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.200 10.343 4.939 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -1.402 11.641 5.859 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.253 11.585 4.086 1.00 1.00 H new ATOM 903 N VAL A 64 3.450 12.998 3.984 1.00 1.00 N ATOM 904 CA VAL A 64 4.070 14.319 4.053 1.00 1.00 C ATOM 905 C VAL A 64 4.750 14.687 2.738 1.00 1.00 C ATOM 906 O VAL A 64 4.559 15.789 2.225 1.00 1.00 O ATOM 907 CB VAL A 64 5.096 14.353 5.186 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.870 15.601 6.040 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.936 13.107 6.057 1.00 1.00 C ATOM 0 H VAL A 64 4.102 12.217 4.061 1.00 1.00 H new ATOM 0 HA VAL A 64 3.282 15.048 4.244 1.00 1.00 H new ATOM 0 HB VAL A 64 6.101 14.376 4.765 1.00 1.00 H new ATOM 0 HG11 VAL A 64 5.601 15.626 6.848 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.983 16.491 5.421 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.865 15.577 6.461 1.00 1.00 H new ATOM 0 HG21 VAL A 64 5.668 13.131 6.865 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.931 13.084 6.478 1.00 1.00 H new ATOM 0 HG23 VAL A 64 5.095 12.216 5.450 1.00 1.00 H new ATOM 919 N ARG A 65 5.548 13.767 2.200 1.00 1.00 N ATOM 920 CA ARG A 65 6.254 14.023 0.945 1.00 1.00 C ATOM 921 C ARG A 65 6.102 12.846 -0.014 1.00 1.00 C ATOM 922 O ARG A 65 6.925 11.929 -0.023 1.00 1.00 O ATOM 923 CB ARG A 65 7.740 14.268 1.217 1.00 1.00 C ATOM 924 CG ARG A 65 7.918 15.598 1.958 1.00 1.00 C ATOM 925 CD ARG A 65 8.568 16.619 1.024 1.00 1.00 C ATOM 926 NE ARG A 65 8.749 17.890 1.715 1.00 1.00 N ATOM 927 CZ ARG A 65 7.749 18.758 1.827 1.00 1.00 C ATOM 928 NH1 ARG A 65 6.588 18.487 1.298 1.00 1.00 N ATOM 929 NH2 ARG A 65 7.931 19.883 2.464 1.00 1.00 N ATOM 0 H ARG A 65 5.721 12.848 2.607 1.00 1.00 H new ATOM 0 HA ARG A 65 5.816 14.909 0.486 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.150 13.452 1.812 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.293 14.287 0.278 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.952 15.967 2.302 1.00 1.00 H new ATOM 0 HG3 ARG A 65 8.537 15.453 2.843 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.531 16.244 0.678 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.946 16.762 0.141 1.00 1.00 H new ATOM 0 HE ARG A 65 9.658 18.117 2.119 1.00 1.00 H new ATOM 0 HH11 ARG A 65 6.448 17.609 0.798 1.00 1.00 H new ATOM 0 HH12 ARG A 65 5.820 19.153 1.384 1.00 1.00 H new ATOM 0 HH21 ARG A 65 8.840 20.095 2.875 1.00 1.00 H new ATOM 0 HH22 ARG A 65 7.164 20.550 2.551 1.00 1.00 H new ATOM 943 N ARG A 66 5.047 12.881 -0.820 1.00 1.00 N ATOM 944 CA ARG A 66 4.793 11.818 -1.785 1.00 1.00 C ATOM 945 C ARG A 66 5.943 11.691 -2.780 1.00 1.00 C ATOM 946 O ARG A 66 6.240 10.601 -3.256 1.00 1.00 O ATOM 947 CB ARG A 66 3.493 12.097 -2.538 1.00 1.00 C ATOM 948 CG ARG A 66 2.669 10.811 -2.628 1.00 1.00 C ATOM 949 CD ARG A 66 1.399 11.073 -3.438 1.00 1.00 C ATOM 950 NE ARG A 66 0.609 9.852 -3.544 1.00 1.00 N ATOM 951 CZ ARG A 66 -0.238 9.495 -2.586 1.00 1.00 C ATOM 952 NH1 ARG A 66 -0.379 10.244 -1.526 1.00 1.00 N ATOM 953 NH2 ARG A 66 -0.931 8.395 -2.703 1.00 1.00 N ATOM 0 H ARG A 66 4.356 13.631 -0.825 1.00 1.00 H new ATOM 0 HA ARG A 66 4.706 10.879 -1.238 1.00 1.00 H new ATOM 0 HB2 ARG A 66 2.923 12.872 -2.026 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.713 12.471 -3.538 1.00 1.00 H new ATOM 0 HG2 ARG A 66 3.257 10.023 -3.098 1.00 1.00 H new ATOM 0 HG3 ARG A 66 2.410 10.462 -1.628 1.00 1.00 H new ATOM 0 HD2 ARG A 66 0.810 11.856 -2.961 1.00 1.00 H new ATOM 0 HD3 ARG A 66 1.661 11.433 -4.433 1.00 1.00 H new ATOM 0 HE ARG A 66 0.709 9.261 -4.369 1.00 1.00 H new ATOM 0 HH11 ARG A 66 0.162 11.104 -1.434 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -1.030 9.969 -0.790 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -0.822 7.809 -3.531 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -1.582 8.121 -1.967 1.00 1.00 H new ATOM 967 N ASP A 67 6.582 12.810 -3.090 1.00 1.00 N ATOM 968 CA ASP A 67 7.695 12.801 -4.037 1.00 1.00 C ATOM 969 C ASP A 67 8.858 11.970 -3.500 1.00 1.00 C ATOM 970 O ASP A 67 9.511 11.236 -4.246 1.00 1.00 O ATOM 971 CB ASP A 67 8.167 14.232 -4.299 1.00 1.00 C ATOM 972 CG ASP A 67 8.269 14.481 -5.801 1.00 1.00 C ATOM 973 OD1 ASP A 67 7.234 14.520 -6.445 1.00 1.00 O ATOM 974 OD2 ASP A 67 9.379 14.627 -6.283 1.00 1.00 O ATOM 0 H ASP A 67 6.355 13.727 -2.706 1.00 1.00 H new ATOM 0 HA ASP A 67 7.348 12.354 -4.969 1.00 1.00 H new ATOM 0 HB2 ASP A 67 7.471 14.941 -3.851 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.136 14.396 -3.828 1.00 1.00 H new ATOM 979 N ARG A 68 9.114 12.098 -2.205 1.00 1.00 N ATOM 980 CA ARG A 68 10.205 11.367 -1.571 1.00 1.00 C ATOM 981 C ARG A 68 9.948 9.862 -1.585 1.00 1.00 C ATOM 982 O ARG A 68 10.865 9.067 -1.806 1.00 1.00 O ATOM 983 CB ARG A 68 10.360 11.844 -0.127 1.00 1.00 C ATOM 984 CG ARG A 68 11.471 12.893 -0.051 1.00 1.00 C ATOM 985 CD ARG A 68 11.140 14.054 -0.991 1.00 1.00 C ATOM 986 NE ARG A 68 11.861 13.905 -2.249 1.00 1.00 N ATOM 987 CZ ARG A 68 11.922 14.901 -3.127 1.00 1.00 C ATOM 988 NH1 ARG A 68 11.336 16.038 -2.867 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.566 14.742 -4.251 1.00 1.00 N ATOM 0 H ARG A 68 8.584 12.699 -1.574 1.00 1.00 H new ATOM 0 HA ARG A 68 11.119 11.560 -2.133 1.00 1.00 H new ATOM 0 HB2 ARG A 68 9.421 12.267 0.230 1.00 1.00 H new ATOM 0 HB3 ARG A 68 10.597 11.001 0.522 1.00 1.00 H new ATOM 0 HG2 ARG A 68 11.573 13.257 0.971 1.00 1.00 H new ATOM 0 HG3 ARG A 68 12.426 12.447 -0.328 1.00 1.00 H new ATOM 0 HD2 ARG A 68 10.067 14.084 -1.180 1.00 1.00 H new ATOM 0 HD3 ARG A 68 11.407 15.000 -0.520 1.00 1.00 H new ATOM 0 HE ARG A 68 12.326 13.022 -2.459 1.00 1.00 H new ATOM 0 HH11 ARG A 68 10.831 16.163 -1.990 1.00 1.00 H new ATOM 0 HH12 ARG A 68 11.383 16.802 -3.541 1.00 1.00 H new ATOM 0 HH21 ARG A 68 13.023 13.853 -4.456 1.00 1.00 H new ATOM 0 HH22 ARG A 68 12.613 15.507 -4.925 1.00 1.00 H new ATOM 1003 N ALA A 69 8.702 9.477 -1.342 1.00 1.00 N ATOM 1004 CA ALA A 69 8.336 8.062 -1.320 1.00 1.00 C ATOM 1005 C ALA A 69 8.558 7.410 -2.684 1.00 1.00 C ATOM 1006 O ALA A 69 8.761 6.199 -2.775 1.00 1.00 O ATOM 1007 CB ALA A 69 6.869 7.913 -0.919 1.00 1.00 C ATOM 0 H ALA A 69 7.930 10.118 -1.158 1.00 1.00 H new ATOM 0 HA ALA A 69 8.973 7.561 -0.591 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.601 6.856 -0.904 1.00 1.00 H new ATOM 0 HB2 ALA A 69 6.718 8.340 0.073 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.240 8.437 -1.639 1.00 1.00 H new ATOM 1013 N GLN A 70 8.509 8.214 -3.741 1.00 1.00 N ATOM 1014 CA GLN A 70 8.695 7.695 -5.094 1.00 1.00 C ATOM 1015 C GLN A 70 10.151 7.319 -5.334 1.00 1.00 C ATOM 1016 O GLN A 70 10.443 6.316 -5.986 1.00 1.00 O ATOM 1017 CB GLN A 70 8.266 8.747 -6.120 1.00 1.00 C ATOM 1018 CG GLN A 70 6.932 8.340 -6.748 1.00 1.00 C ATOM 1019 CD GLN A 70 5.895 8.108 -5.655 1.00 1.00 C ATOM 1020 OE1 GLN A 70 4.849 7.508 -5.902 1.00 1.00 O ATOM 1021 NE2 GLN A 70 6.127 8.548 -4.449 1.00 1.00 N ATOM 0 H GLN A 70 8.344 9.219 -3.690 1.00 1.00 H new ATOM 0 HA GLN A 70 8.079 6.802 -5.204 1.00 1.00 H new ATOM 0 HB2 GLN A 70 8.171 9.720 -5.639 1.00 1.00 H new ATOM 0 HB3 GLN A 70 9.028 8.847 -6.893 1.00 1.00 H new ATOM 0 HG2 GLN A 70 6.588 9.118 -7.429 1.00 1.00 H new ATOM 0 HG3 GLN A 70 7.060 7.433 -7.339 1.00 1.00 H new ATOM 0 HE21 GLN A 70 6.994 9.045 -4.245 1.00 1.00 H new ATOM 0 HE22 GLN A 70 5.441 8.395 -3.710 1.00 1.00 H new ATOM 1030 N ALA A 71 11.059 8.126 -4.807 1.00 1.00 N ATOM 1031 CA ALA A 71 12.482 7.861 -4.974 1.00 1.00 C ATOM 1032 C ALA A 71 12.879 6.569 -4.260 1.00 1.00 C ATOM 1033 O ALA A 71 13.692 5.797 -4.766 1.00 1.00 O ATOM 1034 CB ALA A 71 13.297 9.029 -4.425 1.00 1.00 C ATOM 0 H ALA A 71 10.841 8.962 -4.265 1.00 1.00 H new ATOM 0 HA ALA A 71 12.689 7.746 -6.038 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.360 8.823 -4.553 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.036 9.940 -4.964 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.078 9.159 -3.365 1.00 1.00 H new ATOM 1040 N VAL A 72 12.295 6.337 -3.086 1.00 1.00 N ATOM 1041 CA VAL A 72 12.600 5.128 -2.321 1.00 1.00 C ATOM 1042 C VAL A 72 12.202 3.889 -3.113 1.00 1.00 C ATOM 1043 O VAL A 72 12.973 2.939 -3.242 1.00 1.00 O ATOM 1044 CB VAL A 72 11.836 5.132 -0.997 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.201 3.882 -0.196 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.209 6.377 -0.193 1.00 1.00 C ATOM 0 H VAL A 72 11.617 6.960 -2.648 1.00 1.00 H new ATOM 0 HA VAL A 72 13.672 5.111 -2.126 1.00 1.00 H new ATOM 0 HB VAL A 72 10.765 5.138 -1.197 1.00 1.00 H new ATOM 0 HG11 VAL A 72 11.657 3.883 0.749 1.00 1.00 H new ATOM 0 HG12 VAL A 72 11.934 2.993 -0.767 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.273 3.877 0.003 1.00 1.00 H new ATOM 0 HG21 VAL A 72 11.663 6.378 0.750 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.280 6.373 0.008 1.00 1.00 H new ATOM 0 HG23 VAL A 72 11.950 7.269 -0.763 1.00 1.00 H new ATOM 1056 N GLU A 73 10.988 3.913 -3.637 1.00 1.00 N ATOM 1057 CA GLU A 73 10.476 2.793 -4.419 1.00 1.00 C ATOM 1058 C GLU A 73 11.334 2.575 -5.663 1.00 1.00 C ATOM 1059 O GLU A 73 11.603 1.438 -6.050 1.00 1.00 O ATOM 1060 CB GLU A 73 9.030 3.070 -4.837 1.00 1.00 C ATOM 1061 CG GLU A 73 8.080 2.281 -3.933 1.00 1.00 C ATOM 1062 CD GLU A 73 8.107 0.805 -4.314 1.00 1.00 C ATOM 1063 OE1 GLU A 73 7.627 0.481 -5.388 1.00 1.00 O ATOM 1064 OE2 GLU A 73 8.609 0.020 -3.526 1.00 1.00 O ATOM 0 H GLU A 73 10.338 4.692 -3.537 1.00 1.00 H new ATOM 0 HA GLU A 73 10.512 1.894 -3.804 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.817 4.136 -4.765 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.880 2.785 -5.878 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.373 2.402 -2.890 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.067 2.671 -4.027 1.00 1.00 H new ATOM 1071 N THR A 74 11.762 3.673 -6.284 1.00 1.00 N ATOM 1072 CA THR A 74 12.589 3.593 -7.484 1.00 1.00 C ATOM 1073 C THR A 74 13.982 3.079 -7.136 1.00 1.00 C ATOM 1074 O THR A 74 14.609 2.368 -7.921 1.00 1.00 O ATOM 1075 CB THR A 74 12.696 4.979 -8.126 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.400 5.555 -8.222 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.308 4.867 -9.524 1.00 1.00 C ATOM 0 H THR A 74 11.551 4.623 -5.977 1.00 1.00 H new ATOM 0 HA THR A 74 12.125 2.900 -8.186 1.00 1.00 H new ATOM 0 HB THR A 74 13.336 5.609 -7.508 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.255 6.162 -7.466 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.379 5.859 -9.971 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.304 4.430 -9.451 1.00 1.00 H new ATOM 0 HG23 THR A 74 12.678 4.233 -10.147 1.00 1.00 H new ATOM 1085 N TYR A 75 14.458 3.450 -5.953 1.00 1.00 N ATOM 1086 CA TYR A 75 15.779 3.029 -5.501 1.00 1.00 C ATOM 1087 C TYR A 75 15.872 1.504 -5.456 1.00 1.00 C ATOM 1088 O TYR A 75 16.828 0.914 -5.960 1.00 1.00 O ATOM 1089 CB TYR A 75 16.047 3.606 -4.110 1.00 1.00 C ATOM 1090 CG TYR A 75 17.374 3.114 -3.599 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.479 1.837 -3.035 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.505 3.934 -3.688 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.715 1.381 -2.559 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.740 3.478 -3.213 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.844 2.201 -2.648 1.00 1.00 C ATOM 1096 OH TYR A 75 21.063 1.752 -2.179 1.00 1.00 O ATOM 0 H TYR A 75 13.952 4.039 -5.292 1.00 1.00 H new ATOM 0 HA TYR A 75 16.526 3.399 -6.203 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.045 4.695 -4.152 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.252 3.312 -3.425 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.607 1.203 -2.967 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.425 4.919 -4.123 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.796 0.396 -2.123 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.612 4.111 -3.282 1.00 1.00 H new ATOM 0 HH TYR A 75 21.742 2.445 -2.318 1.00 1.00 H new ATOM 1106 N LEU A 76 14.873 0.877 -4.845 1.00 1.00 N ATOM 1107 CA LEU A 76 14.843 -0.577 -4.733 1.00 1.00 C ATOM 1108 C LEU A 76 14.715 -1.237 -6.103 1.00 1.00 C ATOM 1109 O LEU A 76 15.319 -2.279 -6.356 1.00 1.00 O ATOM 1110 CB LEU A 76 13.658 -1.004 -3.865 1.00 1.00 C ATOM 1111 CG LEU A 76 13.789 -2.488 -3.493 1.00 1.00 C ATOM 1112 CD1 LEU A 76 15.002 -2.706 -2.582 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.525 -2.944 -2.761 1.00 1.00 C ATOM 0 H LEU A 76 14.075 1.351 -4.421 1.00 1.00 H new ATOM 0 HA LEU A 76 15.780 -0.896 -4.278 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.620 -0.396 -2.961 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.724 -0.836 -4.401 1.00 1.00 H new ATOM 0 HG LEU A 76 13.921 -3.067 -4.407 1.00 1.00 H new ATOM 0 HD11 LEU A 76 15.081 -3.763 -2.328 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.907 -2.389 -3.100 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.882 -2.121 -1.670 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.618 -3.997 -2.497 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.396 -2.352 -1.855 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.660 -2.807 -3.410 1.00 1.00 H new ATOM 1125 N LYS A 77 13.925 -0.630 -6.981 1.00 1.00 N ATOM 1126 CA LYS A 77 13.728 -1.175 -8.313 1.00 1.00 C ATOM 1127 C LYS A 77 15.069 -1.299 -9.025 1.00 1.00 C ATOM 1128 O LYS A 77 15.306 -2.257 -9.762 1.00 1.00 O ATOM 1129 CB LYS A 77 12.766 -0.268 -9.094 1.00 1.00 C ATOM 1130 CG LYS A 77 13.202 -0.141 -10.553 1.00 1.00 C ATOM 1131 CD LYS A 77 12.087 0.535 -11.356 1.00 1.00 C ATOM 1132 CE LYS A 77 11.832 1.937 -10.803 1.00 1.00 C ATOM 1133 NZ LYS A 77 11.396 2.837 -11.908 1.00 1.00 N ATOM 0 H LYS A 77 13.415 0.233 -6.794 1.00 1.00 H new ATOM 0 HA LYS A 77 13.290 -2.171 -8.247 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.756 -0.675 -9.046 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.734 0.719 -8.632 1.00 1.00 H new ATOM 0 HG2 LYS A 77 14.120 0.442 -10.621 1.00 1.00 H new ATOM 0 HG3 LYS A 77 13.419 -1.126 -10.967 1.00 1.00 H new ATOM 0 HD2 LYS A 77 12.367 0.594 -12.408 1.00 1.00 H new ATOM 0 HD3 LYS A 77 11.175 -0.059 -11.302 1.00 1.00 H new ATOM 0 HE2 LYS A 77 11.067 1.900 -10.027 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.738 2.326 -10.339 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 11.077 3.744 -11.512 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 12.193 3.003 -12.556 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 10.613 2.393 -12.429 1.00 1.00 H new ATOM 1147 N LYS A 78 15.948 -0.332 -8.793 1.00 1.00 N ATOM 1148 CA LYS A 78 17.268 -0.353 -9.410 1.00 1.00 C ATOM 1149 C LYS A 78 18.076 -1.527 -8.871 1.00 1.00 C ATOM 1150 O LYS A 78 18.756 -2.224 -9.622 1.00 1.00 O ATOM 1151 CB LYS A 78 18.005 0.956 -9.117 1.00 1.00 C ATOM 1152 CG LYS A 78 19.385 0.923 -9.776 1.00 1.00 C ATOM 1153 CD LYS A 78 19.612 2.221 -10.555 1.00 1.00 C ATOM 1154 CE LYS A 78 18.718 2.236 -11.797 1.00 1.00 C ATOM 1155 NZ LYS A 78 17.967 3.523 -11.851 1.00 1.00 N ATOM 0 H LYS A 78 15.773 0.470 -8.188 1.00 1.00 H new ATOM 0 HA LYS A 78 17.150 -0.463 -10.488 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.430 1.802 -9.494 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.107 1.095 -8.041 1.00 1.00 H new ATOM 0 HG2 LYS A 78 20.159 0.802 -9.018 1.00 1.00 H new ATOM 0 HG3 LYS A 78 19.459 0.067 -10.446 1.00 1.00 H new ATOM 0 HD2 LYS A 78 19.388 3.080 -9.923 1.00 1.00 H new ATOM 0 HD3 LYS A 78 20.659 2.304 -10.847 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.323 2.117 -12.696 1.00 1.00 H new ATOM 0 HE3 LYS A 78 18.022 1.397 -11.768 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 17.359 3.535 -12.695 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 17.379 3.618 -10.999 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 18.639 4.315 -11.898 1.00 1.00 H new ATOM 1169 N LEU A 79 17.985 -1.741 -7.562 1.00 1.00 N ATOM 1170 CA LEU A 79 18.701 -2.840 -6.925 1.00 1.00 C ATOM 1171 C LEU A 79 18.117 -4.179 -7.357 1.00 1.00 C ATOM 1172 O LEU A 79 18.852 -5.100 -7.715 1.00 1.00 O ATOM 1173 CB LEU A 79 18.612 -2.708 -5.401 1.00 1.00 C ATOM 1174 CG LEU A 79 19.888 -2.052 -4.867 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.055 -0.667 -5.494 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.791 -1.913 -3.345 1.00 1.00 C ATOM 0 H LEU A 79 17.427 -1.172 -6.926 1.00 1.00 H new ATOM 0 HA LEU A 79 19.746 -2.796 -7.232 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.742 -2.111 -5.128 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.479 -3.690 -4.948 1.00 1.00 H new ATOM 0 HG LEU A 79 20.747 -2.672 -5.124 1.00 1.00 H new ATOM 0 HD11 LEU A 79 20.964 -0.202 -5.112 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.124 -0.764 -6.577 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.196 -0.046 -5.240 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.699 -1.446 -2.964 1.00 1.00 H new ATOM 0 HD22 LEU A 79 18.930 -1.294 -3.090 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.674 -2.899 -2.896 1.00 1.00 H new ATOM 1188 N ILE A 80 16.793 -4.282 -7.322 1.00 1.00 N ATOM 1189 CA ILE A 80 16.130 -5.519 -7.713 1.00 1.00 C ATOM 1190 C ILE A 80 16.276 -5.756 -9.213 1.00 1.00 C ATOM 1191 O ILE A 80 16.543 -6.875 -9.650 1.00 1.00 O ATOM 1192 CB ILE A 80 14.646 -5.467 -7.335 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.491 -5.858 -5.857 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.859 -6.448 -8.210 1.00 1.00 C ATOM 1195 CD1 ILE A 80 13.056 -5.590 -5.391 1.00 1.00 C ATOM 0 H ILE A 80 16.165 -3.533 -7.031 1.00 1.00 H new ATOM 0 HA ILE A 80 16.604 -6.344 -7.182 1.00 1.00 H new ATOM 0 HB ILE A 80 14.262 -4.459 -7.491 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.734 -6.912 -5.724 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.192 -5.289 -5.246 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.804 -6.410 -7.940 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.976 -6.174 -9.259 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.237 -7.458 -8.054 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.956 -5.870 -4.342 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.828 -4.531 -5.507 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.362 -6.178 -5.992 1.00 1.00 H new ATOM 1207 N ALA A 81 16.100 -4.697 -9.996 1.00 1.00 N ATOM 1208 CA ALA A 81 16.215 -4.806 -11.446 1.00 1.00 C ATOM 1209 C ALA A 81 17.631 -5.209 -11.840 1.00 1.00 C ATOM 1210 O ALA A 81 17.843 -5.828 -12.882 1.00 1.00 O ATOM 1211 CB ALA A 81 15.862 -3.470 -12.102 1.00 1.00 C ATOM 0 H ALA A 81 15.879 -3.761 -9.655 1.00 1.00 H new ATOM 0 HA ALA A 81 15.520 -5.572 -11.790 1.00 1.00 H new ATOM 0 HB1 ALA A 81 15.951 -3.561 -13.185 1.00 1.00 H new ATOM 0 HB2 ALA A 81 14.839 -3.197 -11.844 1.00 1.00 H new ATOM 0 HB3 ALA A 81 16.544 -2.698 -11.746 1.00 1.00 H new ATOM 1306 N LYS A 88 15.637 -7.856 1.844 1.00 1.00 N ATOM 1307 CA LYS A 88 14.331 -7.205 1.809 1.00 1.00 C ATOM 1308 C LYS A 88 14.395 -5.849 2.505 1.00 1.00 C ATOM 1309 O LYS A 88 14.770 -5.761 3.675 1.00 1.00 O ATOM 1310 CB LYS A 88 13.289 -8.083 2.504 1.00 1.00 C ATOM 1311 CG LYS A 88 13.375 -9.511 1.960 1.00 1.00 C ATOM 1312 CD LYS A 88 12.201 -10.334 2.496 1.00 1.00 C ATOM 1313 CE LYS A 88 12.242 -10.347 4.026 1.00 1.00 C ATOM 1314 NZ LYS A 88 11.619 -11.604 4.527 1.00 1.00 N ATOM 0 HA LYS A 88 14.046 -7.059 0.767 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.458 -8.083 3.581 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.290 -7.680 2.338 1.00 1.00 H new ATOM 0 HG2 LYS A 88 13.356 -9.498 0.870 1.00 1.00 H new ATOM 0 HG3 LYS A 88 14.319 -9.968 2.257 1.00 1.00 H new ATOM 0 HD2 LYS A 88 11.258 -9.910 2.151 1.00 1.00 H new ATOM 0 HD3 LYS A 88 12.252 -11.353 2.112 1.00 1.00 H new ATOM 0 HE2 LYS A 88 13.273 -10.275 4.374 1.00 1.00 H new ATOM 0 HE3 LYS A 88 11.711 -9.482 4.422 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 11.646 -11.614 5.567 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 10.631 -11.654 4.206 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 12.144 -12.423 4.159 1.00 1.00 H new ATOM 1328 N ILE A 89 14.030 -4.793 1.784 1.00 1.00 N ATOM 1329 CA ILE A 89 14.054 -3.453 2.357 1.00 1.00 C ATOM 1330 C ILE A 89 13.453 -3.471 3.759 1.00 1.00 C ATOM 1331 O ILE A 89 12.598 -4.300 4.069 1.00 1.00 O ATOM 1332 CB ILE A 89 13.289 -2.468 1.443 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.311 -1.567 0.734 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.314 -1.595 2.259 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.599 -0.593 -0.208 1.00 1.00 C ATOM 0 H ILE A 89 13.718 -4.838 0.814 1.00 1.00 H new ATOM 0 HA ILE A 89 15.088 -3.117 2.431 1.00 1.00 H new ATOM 0 HB ILE A 89 12.707 -3.036 0.717 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.890 -1.012 1.472 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.016 -2.179 0.171 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.790 -0.912 1.590 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.590 -2.234 2.765 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.872 -1.021 2.999 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.336 0.039 -0.703 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.040 -1.154 -0.957 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.913 0.031 0.365 1.00 1.00 H new ATOM 1347 N THR A 90 13.899 -2.543 4.597 1.00 1.00 N ATOM 1348 CA THR A 90 13.396 -2.444 5.960 1.00 1.00 C ATOM 1349 C THR A 90 13.074 -0.991 6.294 1.00 1.00 C ATOM 1350 O THR A 90 13.376 -0.086 5.516 1.00 1.00 O ATOM 1351 CB THR A 90 14.440 -2.978 6.944 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.716 -2.983 6.319 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.070 -4.399 7.364 1.00 1.00 C ATOM 0 H THR A 90 14.607 -1.849 4.356 1.00 1.00 H new ATOM 0 HA THR A 90 12.487 -3.040 6.043 1.00 1.00 H new ATOM 0 HB THR A 90 14.469 -2.339 7.826 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.387 -3.323 6.947 1.00 1.00 H new ATOM 0 HG21 THR A 90 14.815 -4.777 8.064 1.00 1.00 H new ATOM 0 HG22 THR A 90 13.091 -4.394 7.843 1.00 1.00 H new ATOM 0 HG23 THR A 90 14.040 -5.042 6.484 1.00 1.00 H new ATOM 1361 N GLU A 91 12.473 -0.769 7.458 1.00 1.00 N ATOM 1362 CA GLU A 91 12.135 0.585 7.884 1.00 1.00 C ATOM 1363 C GLU A 91 13.390 1.443 7.918 1.00 1.00 C ATOM 1364 O GLU A 91 13.341 2.655 7.713 1.00 1.00 O ATOM 1365 CB GLU A 91 11.499 0.552 9.275 1.00 1.00 C ATOM 1366 CG GLU A 91 12.462 -0.116 10.258 1.00 1.00 C ATOM 1367 CD GLU A 91 11.811 -0.242 11.632 1.00 1.00 C ATOM 1368 OE1 GLU A 91 10.713 0.264 11.797 1.00 1.00 O ATOM 1369 OE2 GLU A 91 12.423 -0.842 12.500 1.00 1.00 O ATOM 0 H GLU A 91 12.212 -1.501 8.118 1.00 1.00 H new ATOM 0 HA GLU A 91 11.425 1.012 7.176 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.269 1.565 9.606 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.557 0.005 9.243 1.00 1.00 H new ATOM 0 HG2 GLU A 91 12.743 -1.102 9.889 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.379 0.469 10.334 1.00 1.00 H new ATOM 1376 N ALA A 92 14.513 0.792 8.179 1.00 1.00 N ATOM 1377 CA ALA A 92 15.796 1.479 8.245 1.00 1.00 C ATOM 1378 C ALA A 92 16.262 1.856 6.846 1.00 1.00 C ATOM 1379 O ALA A 92 16.928 2.869 6.651 1.00 1.00 O ATOM 1380 CB ALA A 92 16.840 0.579 8.909 1.00 1.00 C ATOM 0 H ALA A 92 14.563 -0.212 8.349 1.00 1.00 H new ATOM 0 HA ALA A 92 15.676 2.386 8.837 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.795 1.102 8.954 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.516 0.329 9.919 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.954 -0.336 8.328 1.00 1.00 H new ATOM 1386 N GLU A 93 15.908 1.027 5.874 1.00 1.00 N ATOM 1387 CA GLU A 93 16.295 1.286 4.499 1.00 1.00 C ATOM 1388 C GLU A 93 15.451 2.411 3.905 1.00 1.00 C ATOM 1389 O GLU A 93 15.964 3.270 3.191 1.00 1.00 O ATOM 1390 CB GLU A 93 16.126 0.020 3.661 1.00 1.00 C ATOM 1391 CG GLU A 93 16.991 -1.102 4.242 1.00 1.00 C ATOM 1392 CD GLU A 93 18.258 -1.267 3.407 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.858 -0.259 3.072 1.00 1.00 O ATOM 1394 OE2 GLU A 93 18.609 -2.398 3.117 1.00 1.00 O ATOM 0 H GLU A 93 15.359 0.178 6.012 1.00 1.00 H new ATOM 0 HA GLU A 93 17.342 1.590 4.488 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.079 -0.283 3.650 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.412 0.215 2.628 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.253 -0.873 5.275 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.430 -2.036 4.255 1.00 1.00 H new ATOM 1401 N ILE A 94 14.152 2.401 4.202 1.00 1.00 N ATOM 1402 CA ILE A 94 13.253 3.429 3.684 1.00 1.00 C ATOM 1403 C ILE A 94 13.642 4.804 4.213 1.00 1.00 C ATOM 1404 O ILE A 94 13.730 5.770 3.455 1.00 1.00 O ATOM 1405 CB ILE A 94 11.817 3.121 4.110 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.333 1.853 3.405 1.00 1.00 C ATOM 1407 CG2 ILE A 94 10.909 4.294 3.735 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.019 1.383 4.036 1.00 1.00 C ATOM 0 H ILE A 94 13.703 1.700 4.792 1.00 1.00 H new ATOM 0 HA ILE A 94 13.329 3.432 2.597 1.00 1.00 H new ATOM 0 HB ILE A 94 11.785 2.969 5.189 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.188 2.048 2.342 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.087 1.070 3.485 1.00 1.00 H new ATOM 0 HG21 ILE A 94 9.886 4.074 4.039 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.252 5.196 4.242 1.00 1.00 H new ATOM 0 HG23 ILE A 94 10.942 4.449 2.657 1.00 1.00 H new ATOM 0 HD11 ILE A 94 9.676 0.479 3.532 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.179 1.171 5.093 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.266 2.164 3.933 1.00 1.00 H new ATOM 1420 N VAL A 95 13.882 4.880 5.515 1.00 1.00 N ATOM 1421 CA VAL A 95 14.273 6.135 6.142 1.00 1.00 C ATOM 1422 C VAL A 95 15.664 6.547 5.678 1.00 1.00 C ATOM 1423 O VAL A 95 15.942 7.729 5.470 1.00 1.00 O ATOM 1424 CB VAL A 95 14.225 6.006 7.673 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.575 5.549 8.233 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.866 7.365 8.280 1.00 1.00 C ATOM 0 H VAL A 95 13.813 4.090 6.156 1.00 1.00 H new ATOM 0 HA VAL A 95 13.568 6.911 5.842 1.00 1.00 H new ATOM 0 HB VAL A 95 13.473 5.260 7.932 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.510 5.467 9.318 1.00 1.00 H new ATOM 0 HG12 VAL A 95 15.834 4.578 7.811 1.00 1.00 H new ATOM 0 HG13 VAL A 95 16.343 6.276 7.970 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.830 7.280 9.366 1.00 1.00 H new ATOM 0 HG22 VAL A 95 14.620 8.100 7.998 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.892 7.683 7.909 1.00 1.00 H new ATOM 1436 N SER A 96 16.540 5.560 5.552 1.00 1.00 N ATOM 1437 CA SER A 96 17.922 5.816 5.146 1.00 1.00 C ATOM 1438 C SER A 96 17.987 6.474 3.775 1.00 1.00 C ATOM 1439 O SER A 96 18.708 7.454 3.581 1.00 1.00 O ATOM 1440 CB SER A 96 18.710 4.508 5.118 1.00 1.00 C ATOM 1441 OG SER A 96 18.952 4.074 6.450 1.00 1.00 O ATOM 0 H SER A 96 16.324 4.578 5.723 1.00 1.00 H new ATOM 0 HA SER A 96 18.361 6.497 5.875 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.153 3.747 4.571 1.00 1.00 H new ATOM 0 HB3 SER A 96 19.655 4.651 4.593 1.00 1.00 H new ATOM 0 HG SER A 96 18.345 3.336 6.669 1.00 1.00 H new ATOM 1447 N ILE A 97 17.228 5.944 2.824 1.00 1.00 N ATOM 1448 CA ILE A 97 17.220 6.511 1.484 1.00 1.00 C ATOM 1449 C ILE A 97 16.569 7.890 1.533 1.00 1.00 C ATOM 1450 O ILE A 97 17.001 8.819 0.851 1.00 1.00 O ATOM 1451 CB ILE A 97 16.466 5.589 0.512 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.073 4.181 0.554 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.591 6.128 -0.916 1.00 1.00 C ATOM 1454 CD1 ILE A 97 15.992 3.153 0.216 1.00 1.00 C ATOM 0 H ILE A 97 16.620 5.136 2.953 1.00 1.00 H new ATOM 0 HA ILE A 97 18.244 6.607 1.124 1.00 1.00 H new ATOM 0 HB ILE A 97 15.417 5.552 0.808 1.00 1.00 H new ATOM 0 HG12 ILE A 97 17.896 4.106 -0.156 1.00 1.00 H new ATOM 0 HG13 ILE A 97 17.486 3.980 1.543 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.055 5.471 -1.601 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.164 7.130 -0.965 1.00 1.00 H new ATOM 0 HG23 ILE A 97 17.643 6.167 -1.199 1.00 1.00 H new ATOM 0 HD11 ILE A 97 16.421 2.151 0.245 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.183 3.223 0.943 1.00 1.00 H new ATOM 0 HD13 ILE A 97 15.601 3.351 -0.782 1.00 1.00 H new ATOM 1466 N LEU A 98 15.532 8.013 2.356 1.00 1.00 N ATOM 1467 CA LEU A 98 14.827 9.281 2.503 1.00 1.00 C ATOM 1468 C LEU A 98 15.811 10.384 2.872 1.00 1.00 C ATOM 1469 O LEU A 98 15.777 11.478 2.312 1.00 1.00 O ATOM 1470 CB LEU A 98 13.774 9.160 3.610 1.00 1.00 C ATOM 1471 CG LEU A 98 12.423 9.710 3.134 1.00 1.00 C ATOM 1472 CD1 LEU A 98 12.599 11.147 2.640 1.00 1.00 C ATOM 1473 CD2 LEU A 98 11.870 8.839 1.999 1.00 1.00 C ATOM 0 H LEU A 98 15.163 7.254 2.929 1.00 1.00 H new ATOM 0 HA LEU A 98 14.343 9.527 1.558 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.665 8.116 3.903 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.104 9.706 4.494 1.00 1.00 H new ATOM 0 HG LEU A 98 11.720 9.696 3.967 1.00 1.00 H new ATOM 0 HD11 LEU A 98 11.638 11.536 2.302 1.00 1.00 H new ATOM 0 HD12 LEU A 98 12.976 11.768 3.453 1.00 1.00 H new ATOM 0 HD13 LEU A 98 13.308 11.163 1.812 1.00 1.00 H new ATOM 0 HD21 LEU A 98 10.911 9.238 1.668 1.00 1.00 H new ATOM 0 HD22 LEU A 98 12.571 8.841 1.164 1.00 1.00 H new ATOM 0 HD23 LEU A 98 11.735 7.818 2.357 1.00 1.00 H new ATOM 1485 N ASN A 99 16.691 10.080 3.820 1.00 1.00 N ATOM 1486 CA ASN A 99 17.691 11.042 4.264 1.00 1.00 C ATOM 1487 C ASN A 99 18.553 11.498 3.091 1.00 1.00 C ATOM 1488 O ASN A 99 19.002 12.643 3.044 1.00 1.00 O ATOM 1489 CB ASN A 99 18.577 10.413 5.341 1.00 1.00 C ATOM 1490 CG ASN A 99 18.844 11.424 6.449 1.00 1.00 C ATOM 1491 OD1 ASN A 99 19.755 12.244 6.334 1.00 1.00 O ATOM 1492 ND2 ASN A 99 18.093 11.423 7.518 1.00 1.00 N ATOM 0 H ASN A 99 16.732 9.178 4.294 1.00 1.00 H new ATOM 0 HA ASN A 99 17.177 11.909 4.679 1.00 1.00 H new ATOM 0 HB2 ASN A 99 18.091 9.529 5.753 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.519 10.084 4.903 1.00 1.00 H new ATOM 0 HD21 ASN A 99 18.261 12.103 8.260 1.00 1.00 H new ATOM 0 HD22 ASN A 99 17.339 10.743 7.611 1.00 1.00 H new ATOM 1499 N GLY A 100 18.778 10.591 2.145 1.00 1.00 N ATOM 1500 CA GLY A 100 19.588 10.908 0.972 1.00 1.00 C ATOM 1501 C GLY A 100 18.766 11.665 -0.065 1.00 1.00 C ATOM 1502 O GLY A 100 19.285 12.527 -0.777 1.00 1.00 O ATOM 0 H GLY A 100 18.415 9.638 2.166 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.448 11.508 1.270 1.00 1.00 H new ATOM 0 HA3 GLY A 100 19.977 9.989 0.534 1.00 1.00 H new ATOM 1506 N ILE A 101 17.482 11.336 -0.144 1.00 1.00 N ATOM 1507 CA ILE A 101 16.586 11.985 -1.095 1.00 1.00 C ATOM 1508 C ILE A 101 16.229 13.388 -0.614 1.00 1.00 C ATOM 1509 O ILE A 101 16.121 14.319 -1.412 1.00 1.00 O ATOM 1510 CB ILE A 101 15.316 11.138 -1.254 1.00 1.00 C ATOM 1511 CG1 ILE A 101 15.702 9.758 -1.795 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.339 11.804 -2.235 1.00 1.00 C ATOM 1513 CD1 ILE A 101 14.645 8.728 -1.396 1.00 1.00 C ATOM 0 H ILE A 101 17.038 10.625 0.438 1.00 1.00 H new ATOM 0 HA ILE A 101 17.086 12.071 -2.060 1.00 1.00 H new ATOM 0 HB ILE A 101 14.831 11.046 -0.282 1.00 1.00 H new ATOM 0 HG12 ILE A 101 15.794 9.796 -2.880 1.00 1.00 H new ATOM 0 HG13 ILE A 101 16.675 9.463 -1.403 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.445 11.188 -2.333 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.061 12.789 -1.859 1.00 1.00 H new ATOM 0 HG23 ILE A 101 14.817 11.909 -3.209 1.00 1.00 H new ATOM 0 HD11 ILE A 101 14.926 7.749 -1.784 1.00 1.00 H new ATOM 0 HD12 ILE A 101 14.575 8.681 -0.309 1.00 1.00 H new ATOM 0 HD13 ILE A 101 13.679 9.019 -1.810 1.00 1.00 H new ATOM 1525 N ALA A 102 16.049 13.533 0.694 1.00 1.00 N ATOM 1526 CA ALA A 102 15.705 14.828 1.269 1.00 1.00 C ATOM 1527 C ALA A 102 16.852 15.817 1.091 1.00 1.00 C ATOM 1528 O ALA A 102 16.633 17.024 0.989 1.00 1.00 O ATOM 1529 CB ALA A 102 15.390 14.671 2.758 1.00 1.00 C ATOM 0 H ALA A 102 16.135 12.776 1.372 1.00 1.00 H new ATOM 0 HA ALA A 102 14.827 15.212 0.750 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.134 15.643 3.180 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.549 13.989 2.882 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.262 14.270 3.274 1.00 1.00 H new ATOM 1535 N LYS A 103 18.074 15.296 1.055 1.00 1.00 N ATOM 1536 CA LYS A 103 19.249 16.145 0.888 1.00 1.00 C ATOM 1537 C LYS A 103 19.318 16.691 -0.534 1.00 1.00 C ATOM 1538 O LYS A 103 19.620 17.865 -0.744 1.00 1.00 O ATOM 1539 CB LYS A 103 20.517 15.344 1.192 1.00 1.00 C ATOM 1540 CG LYS A 103 21.682 16.305 1.439 1.00 1.00 C ATOM 1541 CD LYS A 103 23.001 15.533 1.383 1.00 1.00 C ATOM 1542 CE LYS A 103 23.006 14.452 2.464 1.00 1.00 C ATOM 1543 NZ LYS A 103 24.410 14.048 2.758 1.00 1.00 N ATOM 0 H LYS A 103 18.276 14.300 1.138 1.00 1.00 H new ATOM 0 HA LYS A 103 19.172 16.982 1.582 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.360 14.713 2.067 1.00 1.00 H new ATOM 0 HB3 LYS A 103 20.749 14.681 0.359 1.00 1.00 H new ATOM 0 HG2 LYS A 103 21.680 17.096 0.690 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.571 16.786 2.411 1.00 1.00 H new ATOM 0 HD2 LYS A 103 23.128 15.080 0.400 1.00 1.00 H new ATOM 0 HD3 LYS A 103 23.839 16.214 1.531 1.00 1.00 H new ATOM 0 HE2 LYS A 103 22.527 14.826 3.369 1.00 1.00 H new ATOM 0 HE3 LYS A 103 22.430 13.588 2.132 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 24.413 13.313 3.493 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 24.852 13.675 1.894 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 24.946 14.874 3.092 1.00 1.00 H new ATOM 1557 N GLN A 104 19.038 15.830 -1.507 1.00 1.00 N ATOM 1558 CA GLN A 104 19.073 16.237 -2.907 1.00 1.00 C ATOM 1559 C GLN A 104 17.825 17.039 -3.263 1.00 1.00 C ATOM 1560 O GLN A 104 17.918 18.173 -3.735 1.00 1.00 O ATOM 1561 CB GLN A 104 19.163 15.002 -3.807 1.00 1.00 C ATOM 1562 CG GLN A 104 20.510 14.309 -3.592 1.00 1.00 C ATOM 1563 CD GLN A 104 21.604 15.051 -4.351 1.00 1.00 C ATOM 1564 OE1 GLN A 104 21.996 14.635 -5.441 1.00 1.00 O ATOM 1565 NE2 GLN A 104 22.125 16.133 -3.838 1.00 1.00 N ATOM 0 H GLN A 104 18.786 14.853 -1.354 1.00 1.00 H new ATOM 0 HA GLN A 104 19.951 16.865 -3.062 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.348 14.314 -3.581 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.054 15.292 -4.852 1.00 1.00 H new ATOM 0 HG2 GLN A 104 20.748 14.281 -2.529 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.455 13.275 -3.934 1.00 1.00 H new ATOM 0 HE21 GLN A 104 21.799 16.477 -2.935 1.00 1.00 H new ATOM 0 HE22 GLN A 104 22.857 16.634 -4.341 1.00 1.00 H new