USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=7 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 Set 1.1: A 70 GLN : amide:sc= -2.66! C(o=-1.5!,f=-4.1!) USER MOD Set 1.2: A 74 THR OG1 : rot 87:sc= 1.16 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -22:sc= 0.314 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -2.79! K(o=-2.8!,f=-0.23) USER MOD Single : A 53 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.082) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.474 USER MOD Single : A 96 SER OG : rot 180:sc= 0 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= -0.0933 X(o=-0.093,f=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 9.639 13.382 -11.696 1.00 1.00 N ATOM 47 CA GLU A 4 8.808 12.697 -10.712 1.00 1.00 C ATOM 48 C GLU A 4 7.329 12.986 -10.956 1.00 1.00 C ATOM 49 O GLU A 4 6.490 12.091 -10.864 1.00 1.00 O ATOM 50 CB GLU A 4 9.190 13.150 -9.301 1.00 1.00 C ATOM 51 CG GLU A 4 10.697 12.976 -9.099 1.00 1.00 C ATOM 52 CD GLU A 4 10.996 12.687 -7.632 1.00 1.00 C ATOM 53 OE1 GLU A 4 10.181 13.044 -6.799 1.00 1.00 O ATOM 54 OE2 GLU A 4 12.039 12.111 -7.364 1.00 1.00 O ATOM 0 HA GLU A 4 8.976 11.625 -10.810 1.00 1.00 H new ATOM 0 HB2 GLU A 4 8.911 14.193 -9.155 1.00 1.00 H new ATOM 0 HB3 GLU A 4 8.643 12.567 -8.560 1.00 1.00 H new ATOM 0 HG2 GLU A 4 11.064 12.160 -9.721 1.00 1.00 H new ATOM 0 HG3 GLU A 4 11.221 13.878 -9.415 1.00 1.00 H new ATOM 61 N LEU A 5 7.019 14.240 -11.266 1.00 1.00 N ATOM 62 CA LEU A 5 5.637 14.634 -11.520 1.00 1.00 C ATOM 63 C LEU A 5 5.071 13.872 -12.714 1.00 1.00 C ATOM 64 O LEU A 5 3.885 13.539 -12.744 1.00 1.00 O ATOM 65 CB LEU A 5 5.564 16.139 -11.789 1.00 1.00 C ATOM 66 CG LEU A 5 4.652 16.800 -10.755 1.00 1.00 C ATOM 67 CD1 LEU A 5 5.275 16.672 -9.365 1.00 1.00 C ATOM 68 CD2 LEU A 5 4.482 18.282 -11.100 1.00 1.00 C ATOM 0 H LEU A 5 7.699 14.996 -11.347 1.00 1.00 H new ATOM 0 HA LEU A 5 5.043 14.394 -10.638 1.00 1.00 H new ATOM 0 HB2 LEU A 5 6.561 16.576 -11.742 1.00 1.00 H new ATOM 0 HB3 LEU A 5 5.183 16.321 -12.794 1.00 1.00 H new ATOM 0 HG LEU A 5 3.679 16.308 -10.763 1.00 1.00 H new ATOM 0 HD11 LEU A 5 4.623 17.144 -8.629 1.00 1.00 H new ATOM 0 HD12 LEU A 5 5.398 15.618 -9.117 1.00 1.00 H new ATOM 0 HD13 LEU A 5 6.248 17.163 -9.356 1.00 1.00 H new ATOM 0 HD21 LEU A 5 3.832 18.755 -10.364 1.00 1.00 H new ATOM 0 HD22 LEU A 5 5.456 18.772 -11.092 1.00 1.00 H new ATOM 0 HD23 LEU A 5 4.037 18.376 -12.091 1.00 1.00 H new ATOM 80 N GLN A 6 5.922 13.601 -13.697 1.00 1.00 N ATOM 81 CA GLN A 6 5.490 12.880 -14.889 1.00 1.00 C ATOM 82 C GLN A 6 4.890 11.529 -14.514 1.00 1.00 C ATOM 83 O GLN A 6 3.882 11.108 -15.081 1.00 1.00 O ATOM 84 CB GLN A 6 6.680 12.670 -15.831 1.00 1.00 C ATOM 85 CG GLN A 6 7.277 14.027 -16.202 1.00 1.00 C ATOM 86 CD GLN A 6 8.097 13.908 -17.482 1.00 1.00 C ATOM 87 OE1 GLN A 6 9.171 13.306 -17.480 1.00 1.00 O ATOM 88 NE2 GLN A 6 7.655 14.455 -18.582 1.00 1.00 N ATOM 0 H GLN A 6 6.907 13.867 -13.693 1.00 1.00 H new ATOM 0 HA GLN A 6 4.727 13.474 -15.392 1.00 1.00 H new ATOM 0 HB2 GLN A 6 7.434 12.048 -15.349 1.00 1.00 H new ATOM 0 HB3 GLN A 6 6.359 12.143 -16.730 1.00 1.00 H new ATOM 0 HG2 GLN A 6 6.480 14.758 -16.338 1.00 1.00 H new ATOM 0 HG3 GLN A 6 7.907 14.390 -15.390 1.00 1.00 H new ATOM 0 HE21 GLN A 6 6.765 14.953 -18.582 1.00 1.00 H new ATOM 0 HE22 GLN A 6 8.200 14.384 -19.441 1.00 1.00 H new ATOM 97 N CYS A 7 5.511 10.855 -13.551 1.00 1.00 N ATOM 98 CA CYS A 7 5.023 9.553 -13.107 1.00 1.00 C ATOM 99 C CYS A 7 3.627 9.684 -12.507 1.00 1.00 C ATOM 100 O CYS A 7 2.711 8.949 -12.875 1.00 1.00 O ATOM 101 CB CYS A 7 5.977 8.966 -12.064 1.00 1.00 C ATOM 102 SG CYS A 7 7.232 7.961 -12.893 1.00 1.00 S ATOM 0 H CYS A 7 6.346 11.185 -13.066 1.00 1.00 H new ATOM 0 HA CYS A 7 4.976 8.888 -13.969 1.00 1.00 H new ATOM 0 HB2 CYS A 7 6.453 9.767 -11.499 1.00 1.00 H new ATOM 0 HB3 CYS A 7 5.422 8.358 -11.350 1.00 1.00 H new ATOM 0 HG CYS A 7 8.044 7.464 -12.008 1.00 1.00 H new ATOM 107 N ILE A 8 3.474 10.626 -11.582 1.00 1.00 N ATOM 108 CA ILE A 8 2.187 10.850 -10.935 1.00 1.00 C ATOM 109 C ILE A 8 1.098 11.101 -11.973 1.00 1.00 C ATOM 110 O ILE A 8 -0.057 10.724 -11.776 1.00 1.00 O ATOM 111 CB ILE A 8 2.279 12.051 -9.988 1.00 1.00 C ATOM 112 CG1 ILE A 8 3.506 11.897 -9.085 1.00 1.00 C ATOM 113 CG2 ILE A 8 1.018 12.121 -9.124 1.00 1.00 C ATOM 114 CD1 ILE A 8 3.546 13.048 -8.077 1.00 1.00 C ATOM 0 H ILE A 8 4.221 11.244 -11.265 1.00 1.00 H new ATOM 0 HA ILE A 8 1.930 9.957 -10.366 1.00 1.00 H new ATOM 0 HB ILE A 8 2.369 12.966 -10.573 1.00 1.00 H new ATOM 0 HG12 ILE A 8 3.468 10.942 -8.561 1.00 1.00 H new ATOM 0 HG13 ILE A 8 4.415 11.894 -9.686 1.00 1.00 H new ATOM 0 HG21 ILE A 8 1.085 12.976 -8.451 1.00 1.00 H new ATOM 0 HG22 ILE A 8 0.143 12.232 -9.765 1.00 1.00 H new ATOM 0 HG23 ILE A 8 0.926 11.205 -8.540 1.00 1.00 H new ATOM 0 HD11 ILE A 8 4.419 12.938 -7.434 1.00 1.00 H new ATOM 0 HD12 ILE A 8 3.605 13.997 -8.610 1.00 1.00 H new ATOM 0 HD13 ILE A 8 2.642 13.030 -7.468 1.00 1.00 H new ATOM 126 N ARG A 9 1.471 11.737 -13.079 1.00 1.00 N ATOM 127 CA ARG A 9 0.514 12.028 -14.141 1.00 1.00 C ATOM 128 C ARG A 9 -0.101 10.739 -14.678 1.00 1.00 C ATOM 129 O ARG A 9 -1.304 10.671 -14.929 1.00 1.00 O ATOM 130 CB ARG A 9 1.207 12.778 -15.277 1.00 1.00 C ATOM 131 CG ARG A 9 0.187 13.653 -16.010 1.00 1.00 C ATOM 132 CD ARG A 9 0.870 14.368 -17.176 1.00 1.00 C ATOM 133 NE ARG A 9 -0.045 15.323 -17.790 1.00 1.00 N ATOM 134 CZ ARG A 9 -0.314 16.487 -17.210 1.00 1.00 C ATOM 135 NH1 ARG A 9 0.244 16.794 -16.071 1.00 1.00 N ATOM 136 NH2 ARG A 9 -1.137 17.325 -17.780 1.00 1.00 N ATOM 0 H ARG A 9 2.421 12.059 -13.263 1.00 1.00 H new ATOM 0 HA ARG A 9 -0.280 12.650 -13.728 1.00 1.00 H new ATOM 0 HB2 ARG A 9 2.013 13.395 -14.881 1.00 1.00 H new ATOM 0 HB3 ARG A 9 1.660 12.070 -15.971 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -0.636 13.040 -16.378 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -0.242 14.383 -15.323 1.00 1.00 H new ATOM 0 HD2 ARG A 9 1.762 14.885 -16.822 1.00 1.00 H new ATOM 0 HD3 ARG A 9 1.197 13.639 -17.917 1.00 1.00 H new ATOM 0 HE ARG A 9 -0.486 15.093 -18.680 1.00 1.00 H new ATOM 0 HH11 ARG A 9 0.887 16.140 -15.626 1.00 1.00 H new ATOM 0 HH12 ARG A 9 0.037 17.688 -15.626 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -1.573 17.086 -18.670 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -1.344 18.219 -17.335 1.00 1.00 H new ATOM 150 N GLU A 10 0.731 9.716 -14.846 1.00 1.00 N ATOM 151 CA GLU A 10 0.255 8.432 -15.349 1.00 1.00 C ATOM 152 C GLU A 10 -0.575 7.721 -14.287 1.00 1.00 C ATOM 153 O GLU A 10 -1.637 7.171 -14.577 1.00 1.00 O ATOM 154 CB GLU A 10 1.442 7.554 -15.748 1.00 1.00 C ATOM 155 CG GLU A 10 1.656 7.637 -17.261 1.00 1.00 C ATOM 156 CD GLU A 10 0.630 6.766 -17.981 1.00 1.00 C ATOM 157 OE1 GLU A 10 0.342 5.691 -17.483 1.00 1.00 O ATOM 158 OE2 GLU A 10 0.149 7.188 -19.020 1.00 1.00 O ATOM 0 H GLU A 10 1.730 9.750 -14.643 1.00 1.00 H new ATOM 0 HA GLU A 10 -0.370 8.612 -16.224 1.00 1.00 H new ATOM 0 HB2 GLU A 10 2.341 7.880 -15.225 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.259 6.521 -15.453 1.00 1.00 H new ATOM 0 HG2 GLU A 10 1.565 8.671 -17.593 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.665 7.309 -17.513 1.00 1.00 H new ATOM 165 N CYS A 11 -0.080 7.737 -13.052 1.00 1.00 N ATOM 166 CA CYS A 11 -0.781 7.090 -11.950 1.00 1.00 C ATOM 167 C CYS A 11 -2.165 7.702 -11.762 1.00 1.00 C ATOM 168 O CYS A 11 -3.099 7.026 -11.333 1.00 1.00 O ATOM 169 CB CYS A 11 0.025 7.242 -10.658 1.00 1.00 C ATOM 170 SG CYS A 11 -0.876 6.469 -9.292 1.00 1.00 S ATOM 0 H CYS A 11 0.797 8.188 -12.792 1.00 1.00 H new ATOM 0 HA CYS A 11 -0.893 6.032 -12.187 1.00 1.00 H new ATOM 0 HB2 CYS A 11 1.005 6.778 -10.771 1.00 1.00 H new ATOM 0 HB3 CYS A 11 0.195 8.297 -10.445 1.00 1.00 H new ATOM 0 HG CYS A 11 -2.139 6.396 -9.591 1.00 1.00 H new ATOM 175 N ARG A 12 -2.289 8.985 -12.090 1.00 1.00 N ATOM 176 CA ARG A 12 -3.566 9.675 -11.955 1.00 1.00 C ATOM 177 C ARG A 12 -4.648 8.949 -12.748 1.00 1.00 C ATOM 178 O ARG A 12 -5.751 8.724 -12.252 1.00 1.00 O ATOM 179 CB ARG A 12 -3.440 11.113 -12.458 1.00 1.00 C ATOM 180 CG ARG A 12 -4.793 11.818 -12.337 1.00 1.00 C ATOM 181 CD ARG A 12 -5.402 11.996 -13.729 1.00 1.00 C ATOM 182 NE ARG A 12 -4.565 12.877 -14.537 1.00 1.00 N ATOM 183 CZ ARG A 12 -4.605 14.196 -14.381 1.00 1.00 C ATOM 184 NH1 ARG A 12 -5.403 14.724 -13.494 1.00 1.00 N ATOM 185 NH2 ARG A 12 -3.846 14.962 -15.115 1.00 1.00 N ATOM 0 H ARG A 12 -1.528 9.562 -12.448 1.00 1.00 H new ATOM 0 HA ARG A 12 -3.845 9.685 -10.901 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -2.687 11.647 -11.879 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -3.107 11.118 -13.496 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -5.464 11.234 -11.707 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -4.668 12.788 -11.856 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -5.500 11.027 -14.218 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -6.406 12.413 -13.644 1.00 1.00 H new ATOM 0 HE ARG A 12 -3.939 12.473 -15.233 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -5.996 14.124 -12.920 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -5.434 15.736 -13.374 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -3.222 14.548 -15.808 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -3.876 15.975 -14.996 1.00 1.00 H new ATOM 199 N LEU A 13 -4.319 8.581 -13.982 1.00 1.00 N ATOM 200 CA LEU A 13 -5.268 7.877 -14.837 1.00 1.00 C ATOM 201 C LEU A 13 -5.733 6.587 -14.171 1.00 1.00 C ATOM 202 O LEU A 13 -6.932 6.328 -14.065 1.00 1.00 O ATOM 203 CB LEU A 13 -4.615 7.549 -16.183 1.00 1.00 C ATOM 204 CG LEU A 13 -5.557 6.677 -17.020 1.00 1.00 C ATOM 205 CD1 LEU A 13 -5.564 7.175 -18.461 1.00 1.00 C ATOM 206 CD2 LEU A 13 -5.071 5.225 -16.992 1.00 1.00 C ATOM 0 H LEU A 13 -3.410 8.757 -14.410 1.00 1.00 H new ATOM 0 HA LEU A 13 -6.131 8.523 -14.998 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -4.385 8.470 -16.719 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -3.671 7.029 -16.022 1.00 1.00 H new ATOM 0 HG LEU A 13 -6.564 6.734 -16.607 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -6.234 6.555 -19.057 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -5.907 8.209 -18.487 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -4.556 7.117 -18.871 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -5.741 4.605 -17.587 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -4.064 5.170 -17.405 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -5.061 4.864 -15.963 1.00 1.00 H new ATOM 218 N ALA A 14 -4.777 5.776 -13.734 1.00 1.00 N ATOM 219 CA ALA A 14 -5.104 4.510 -13.092 1.00 1.00 C ATOM 220 C ALA A 14 -5.796 4.749 -11.754 1.00 1.00 C ATOM 221 O ALA A 14 -6.575 3.917 -11.291 1.00 1.00 O ATOM 222 CB ALA A 14 -3.830 3.692 -12.871 1.00 1.00 C ATOM 0 H ALA A 14 -3.779 5.970 -13.811 1.00 1.00 H new ATOM 0 HA ALA A 14 -5.781 3.959 -13.744 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -4.083 2.747 -12.391 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -3.353 3.495 -13.831 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -3.145 4.251 -12.234 1.00 1.00 H new ATOM 228 N GLN A 15 -5.508 5.892 -11.140 1.00 1.00 N ATOM 229 CA GLN A 15 -6.111 6.230 -9.854 1.00 1.00 C ATOM 230 C GLN A 15 -7.571 6.632 -10.038 1.00 1.00 C ATOM 231 O GLN A 15 -8.421 6.317 -9.205 1.00 1.00 O ATOM 232 CB GLN A 15 -5.341 7.377 -9.201 1.00 1.00 C ATOM 233 CG GLN A 15 -5.708 7.457 -7.718 1.00 1.00 C ATOM 234 CD GLN A 15 -5.679 8.909 -7.251 1.00 1.00 C ATOM 235 OE1 GLN A 15 -6.677 9.620 -7.369 1.00 1.00 O ATOM 236 NE2 GLN A 15 -4.588 9.393 -6.722 1.00 1.00 N ATOM 0 H GLN A 15 -4.867 6.595 -11.507 1.00 1.00 H new ATOM 0 HA GLN A 15 -6.066 5.352 -9.210 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -4.268 7.220 -9.313 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -5.579 8.318 -9.697 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -6.700 7.034 -7.557 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -5.009 6.863 -7.129 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -3.762 8.802 -6.625 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -4.561 10.362 -6.405 1.00 1.00 H new ATOM 598 N ALA A 45 6.348 -10.691 -5.144 1.00 1.00 N ATOM 599 CA ALA A 45 7.714 -10.735 -5.645 1.00 1.00 C ATOM 600 C ALA A 45 8.521 -9.549 -5.118 1.00 1.00 C ATOM 601 O ALA A 45 9.714 -9.680 -4.842 1.00 1.00 O ATOM 602 CB ALA A 45 7.695 -10.709 -7.175 1.00 1.00 C ATOM 0 HA ALA A 45 8.186 -11.654 -5.298 1.00 1.00 H new ATOM 0 HB1 ALA A 45 8.717 -10.742 -7.552 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.143 -11.572 -7.547 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.211 -9.794 -7.517 1.00 1.00 H new ATOM 608 N ILE A 46 7.862 -8.399 -4.968 1.00 1.00 N ATOM 609 CA ILE A 46 8.530 -7.203 -4.457 1.00 1.00 C ATOM 610 C ILE A 46 7.842 -6.704 -3.187 1.00 1.00 C ATOM 611 O ILE A 46 8.462 -6.048 -2.351 1.00 1.00 O ATOM 612 CB ILE A 46 8.515 -6.093 -5.511 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.749 -6.572 -6.749 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.950 -5.743 -5.903 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.665 -5.434 -7.770 1.00 1.00 C ATOM 0 H ILE A 46 6.875 -8.271 -5.191 1.00 1.00 H new ATOM 0 HA ILE A 46 9.562 -7.466 -4.224 1.00 1.00 H new ATOM 0 HB ILE A 46 8.025 -5.210 -5.101 1.00 1.00 H new ATOM 0 HG12 ILE A 46 8.251 -7.434 -7.189 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.747 -6.896 -6.467 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.940 -4.953 -6.654 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.494 -5.401 -5.023 1.00 1.00 H new ATOM 0 HG23 ILE A 46 10.441 -6.626 -6.313 1.00 1.00 H new ATOM 0 HD11 ILE A 46 7.120 -5.775 -8.651 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.144 -4.585 -7.327 1.00 1.00 H new ATOM 0 HD13 ILE A 46 8.671 -5.131 -8.061 1.00 1.00 H new ATOM 627 N ALA A 47 6.561 -7.025 -3.052 1.00 1.00 N ATOM 628 CA ALA A 47 5.795 -6.611 -1.882 1.00 1.00 C ATOM 629 C ALA A 47 6.338 -7.282 -0.626 1.00 1.00 C ATOM 630 O ALA A 47 6.227 -6.745 0.475 1.00 1.00 O ATOM 631 CB ALA A 47 4.320 -6.978 -2.062 1.00 1.00 C ATOM 0 H ALA A 47 6.032 -7.568 -3.735 1.00 1.00 H new ATOM 0 HA ALA A 47 5.887 -5.530 -1.775 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.757 -6.664 -1.183 1.00 1.00 H new ATOM 0 HB2 ALA A 47 3.925 -6.475 -2.944 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.226 -8.057 -2.187 1.00 1.00 H new ATOM 637 N ASN A 48 6.931 -8.458 -0.803 1.00 1.00 N ATOM 638 CA ASN A 48 7.496 -9.192 0.322 1.00 1.00 C ATOM 639 C ASN A 48 8.849 -8.605 0.690 1.00 1.00 C ATOM 640 O ASN A 48 9.337 -8.786 1.806 1.00 1.00 O ATOM 641 CB ASN A 48 7.659 -10.670 -0.038 1.00 1.00 C ATOM 642 CG ASN A 48 6.290 -11.329 -0.174 1.00 1.00 C ATOM 643 OD1 ASN A 48 6.182 -12.553 -0.107 1.00 1.00 O ATOM 644 ND2 ASN A 48 5.232 -10.585 -0.356 1.00 1.00 N ATOM 0 H ASN A 48 7.032 -8.920 -1.707 1.00 1.00 H new ATOM 0 HA ASN A 48 6.819 -9.107 1.172 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.212 -10.766 -0.972 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.241 -11.178 0.731 1.00 1.00 H new ATOM 0 HD21 ASN A 48 4.313 -11.018 -0.443 1.00 1.00 H new ATOM 0 HD22 ASN A 48 5.325 -9.571 -0.411 1.00 1.00 H new ATOM 651 N PHE A 49 9.446 -7.893 -0.258 1.00 1.00 N ATOM 652 CA PHE A 49 10.740 -7.273 -0.031 1.00 1.00 C ATOM 653 C PHE A 49 10.592 -6.073 0.896 1.00 1.00 C ATOM 654 O PHE A 49 11.577 -5.443 1.276 1.00 1.00 O ATOM 655 CB PHE A 49 11.350 -6.835 -1.362 1.00 1.00 C ATOM 656 CG PHE A 49 12.569 -7.678 -1.644 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.422 -9.044 -1.912 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.844 -7.101 -1.629 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.551 -9.832 -2.167 1.00 1.00 C ATOM 660 CE2 PHE A 49 14.973 -7.889 -1.884 1.00 1.00 C ATOM 661 CZ PHE A 49 14.825 -9.255 -2.153 1.00 1.00 C ATOM 0 H PHE A 49 9.055 -7.733 -1.186 1.00 1.00 H new ATOM 0 HA PHE A 49 11.401 -8.000 0.439 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.621 -6.946 -2.165 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.622 -5.780 -1.323 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.438 -9.490 -1.922 1.00 1.00 H new ATOM 0 HD2 PHE A 49 13.957 -6.047 -1.421 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.438 -10.886 -2.375 1.00 1.00 H new ATOM 0 HE2 PHE A 49 15.957 -7.444 -1.873 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.695 -9.864 -2.350 1.00 1.00 H new ATOM 671 N LEU A 50 9.351 -5.776 1.261 1.00 1.00 N ATOM 672 CA LEU A 50 9.062 -4.661 2.158 1.00 1.00 C ATOM 673 C LEU A 50 8.374 -5.180 3.419 1.00 1.00 C ATOM 674 O LEU A 50 7.196 -5.533 3.396 1.00 1.00 O ATOM 675 CB LEU A 50 8.156 -3.638 1.457 1.00 1.00 C ATOM 676 CG LEU A 50 8.978 -2.747 0.514 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.328 -2.732 -0.870 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.011 -1.320 1.067 1.00 1.00 C ATOM 0 H LEU A 50 8.527 -6.291 0.950 1.00 1.00 H new ATOM 0 HA LEU A 50 9.999 -4.175 2.431 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.381 -4.157 0.893 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.651 -3.022 2.200 1.00 1.00 H new ATOM 0 HG LEU A 50 9.993 -3.138 0.438 1.00 1.00 H new ATOM 0 HD11 LEU A 50 8.911 -2.100 -1.539 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.294 -3.747 -1.267 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.314 -2.339 -0.792 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.594 -0.685 0.400 1.00 1.00 H new ATOM 0 HD22 LEU A 50 7.994 -0.934 1.139 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.469 -1.324 2.056 1.00 1.00 H new ATOM 690 N GLU A 51 9.123 -5.223 4.515 1.00 1.00 N ATOM 691 CA GLU A 51 8.588 -5.702 5.788 1.00 1.00 C ATOM 692 C GLU A 51 7.285 -4.970 6.130 1.00 1.00 C ATOM 693 O GLU A 51 7.075 -3.839 5.694 1.00 1.00 O ATOM 694 CB GLU A 51 9.628 -5.472 6.889 1.00 1.00 C ATOM 695 CG GLU A 51 10.625 -6.635 6.903 1.00 1.00 C ATOM 696 CD GLU A 51 10.044 -7.813 7.676 1.00 1.00 C ATOM 697 OE1 GLU A 51 9.198 -8.500 7.127 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.434 -7.997 8.819 1.00 1.00 O ATOM 0 H GLU A 51 10.100 -4.933 4.550 1.00 1.00 H new ATOM 0 HA GLU A 51 8.371 -6.767 5.709 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.152 -4.532 6.718 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.135 -5.390 7.858 1.00 1.00 H new ATOM 0 HG2 GLU A 51 10.856 -6.938 5.882 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.561 -6.316 7.361 1.00 1.00 H new ATOM 705 N PRO A 52 6.407 -5.584 6.895 1.00 1.00 N ATOM 706 CA PRO A 52 5.109 -4.956 7.281 1.00 1.00 C ATOM 707 C PRO A 52 5.311 -3.632 8.014 1.00 1.00 C ATOM 708 O PRO A 52 4.695 -2.623 7.671 1.00 1.00 O ATOM 709 CB PRO A 52 4.432 -5.990 8.190 1.00 1.00 C ATOM 710 CG PRO A 52 5.499 -6.959 8.579 1.00 1.00 C ATOM 711 CD PRO A 52 6.548 -6.928 7.472 1.00 1.00 C ATOM 0 HA PRO A 52 4.507 -4.712 6.406 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.000 -5.512 9.069 1.00 1.00 H new ATOM 0 HB3 PRO A 52 3.618 -6.494 7.669 1.00 1.00 H new ATOM 0 HG2 PRO A 52 5.940 -6.684 9.537 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.087 -7.962 8.693 1.00 1.00 H new ATOM 0 HD2 PRO A 52 7.551 -7.091 7.866 1.00 1.00 H new ATOM 0 HD3 PRO A 52 6.368 -7.704 6.728 1.00 1.00 H new ATOM 719 N GLN A 53 6.183 -3.641 9.017 1.00 1.00 N ATOM 720 CA GLN A 53 6.462 -2.429 9.779 1.00 1.00 C ATOM 721 C GLN A 53 7.026 -1.355 8.856 1.00 1.00 C ATOM 722 O GLN A 53 6.659 -0.185 8.945 1.00 1.00 O ATOM 723 CB GLN A 53 7.464 -2.728 10.895 1.00 1.00 C ATOM 724 CG GLN A 53 7.023 -3.978 11.658 1.00 1.00 C ATOM 725 CD GLN A 53 7.169 -3.752 13.160 1.00 1.00 C ATOM 726 OE1 GLN A 53 6.366 -4.255 13.945 1.00 1.00 O ATOM 727 NE2 GLN A 53 8.150 -3.017 13.607 1.00 1.00 N ATOM 0 H GLN A 53 6.704 -4.465 9.319 1.00 1.00 H new ATOM 0 HA GLN A 53 5.533 -2.070 10.223 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.458 -2.878 10.474 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.531 -1.879 11.575 1.00 1.00 H new ATOM 0 HG2 GLN A 53 5.987 -4.215 11.417 1.00 1.00 H new ATOM 0 HG3 GLN A 53 7.625 -4.833 11.350 1.00 1.00 H new ATOM 0 HE21 GLN A 53 8.814 -2.601 12.954 1.00 1.00 H new ATOM 0 HE22 GLN A 53 8.253 -2.858 14.609 1.00 1.00 H new ATOM 736 N ALA A 54 7.915 -1.773 7.961 1.00 1.00 N ATOM 737 CA ALA A 54 8.523 -0.855 7.008 1.00 1.00 C ATOM 738 C ALA A 54 7.475 -0.333 6.037 1.00 1.00 C ATOM 739 O ALA A 54 7.587 0.779 5.522 1.00 1.00 O ATOM 740 CB ALA A 54 9.628 -1.570 6.230 1.00 1.00 C ATOM 0 H ALA A 54 8.229 -2.740 7.877 1.00 1.00 H new ATOM 0 HA ALA A 54 8.950 -0.015 7.556 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.079 -0.878 5.519 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.390 -1.925 6.924 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.204 -2.418 5.692 1.00 1.00 H new ATOM 746 N LEU A 55 6.457 -1.148 5.793 1.00 1.00 N ATOM 747 CA LEU A 55 5.388 -0.763 4.878 1.00 1.00 C ATOM 748 C LEU A 55 4.648 0.462 5.406 1.00 1.00 C ATOM 749 O LEU A 55 4.234 1.328 4.637 1.00 1.00 O ATOM 750 CB LEU A 55 4.406 -1.922 4.703 1.00 1.00 C ATOM 751 CG LEU A 55 4.336 -2.316 3.225 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.421 -3.531 3.061 1.00 1.00 C ATOM 753 CD2 LEU A 55 3.779 -1.145 2.411 1.00 1.00 C ATOM 0 H LEU A 55 6.348 -2.072 6.211 1.00 1.00 H new ATOM 0 HA LEU A 55 5.831 -0.517 3.913 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.724 -2.775 5.303 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.418 -1.632 5.060 1.00 1.00 H new ATOM 0 HG LEU A 55 5.336 -2.565 2.869 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.372 -3.810 2.009 1.00 1.00 H new ATOM 0 HD12 LEU A 55 3.817 -4.365 3.640 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.421 -3.284 3.418 1.00 1.00 H new ATOM 0 HD21 LEU A 55 3.729 -1.425 1.359 1.00 1.00 H new ATOM 0 HD22 LEU A 55 2.780 -0.896 2.768 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.431 -0.279 2.526 1.00 1.00 H new ATOM 765 N GLU A 56 4.493 0.525 6.722 1.00 1.00 N ATOM 766 CA GLU A 56 3.806 1.648 7.351 1.00 1.00 C ATOM 767 C GLU A 56 4.669 2.905 7.295 1.00 1.00 C ATOM 768 O GLU A 56 4.158 4.015 7.155 1.00 1.00 O ATOM 769 CB GLU A 56 3.483 1.313 8.808 1.00 1.00 C ATOM 770 CG GLU A 56 2.431 2.290 9.338 1.00 1.00 C ATOM 771 CD GLU A 56 1.031 1.785 9.001 1.00 1.00 C ATOM 772 OE1 GLU A 56 0.842 1.325 7.887 1.00 1.00 O ATOM 773 OE2 GLU A 56 0.171 1.866 9.861 1.00 1.00 O ATOM 0 H GLU A 56 4.831 -0.184 7.373 1.00 1.00 H new ATOM 0 HA GLU A 56 2.880 1.833 6.807 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.115 0.290 8.883 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.387 1.372 9.414 1.00 1.00 H new ATOM 0 HG2 GLU A 56 2.536 2.400 10.417 1.00 1.00 H new ATOM 0 HG3 GLU A 56 2.586 3.276 8.900 1.00 1.00 H new ATOM 780 N ARG A 57 5.980 2.721 7.414 1.00 1.00 N ATOM 781 CA ARG A 57 6.909 3.837 7.388 1.00 1.00 C ATOM 782 C ARG A 57 6.777 4.623 6.086 1.00 1.00 C ATOM 783 O ARG A 57 6.551 5.832 6.104 1.00 1.00 O ATOM 784 CB ARG A 57 8.338 3.299 7.534 1.00 1.00 C ATOM 785 CG ARG A 57 9.357 4.430 7.368 1.00 1.00 C ATOM 786 CD ARG A 57 9.015 5.584 8.309 1.00 1.00 C ATOM 787 NE ARG A 57 8.556 5.081 9.600 1.00 1.00 N ATOM 788 CZ ARG A 57 8.670 5.812 10.702 1.00 1.00 C ATOM 789 NH1 ARG A 57 9.198 7.004 10.643 1.00 1.00 N ATOM 790 NH2 ARG A 57 8.255 5.340 11.846 1.00 1.00 N ATOM 0 H ARG A 57 6.420 1.808 7.529 1.00 1.00 H new ATOM 0 HA ARG A 57 6.680 4.511 8.213 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.459 2.833 8.512 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.520 2.526 6.788 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.360 4.061 7.581 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.359 4.780 6.336 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.892 6.216 8.451 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.242 6.208 7.861 1.00 1.00 H new ATOM 0 HE ARG A 57 8.140 4.151 9.656 1.00 1.00 H new ATOM 0 HH11 ARG A 57 9.523 7.374 9.750 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.285 7.566 11.490 1.00 1.00 H new ATOM 0 HH21 ARG A 57 7.843 4.408 11.894 1.00 1.00 H new ATOM 0 HH22 ARG A 57 8.343 5.903 12.692 1.00 1.00 H new ATOM 804 N LEU A 58 6.923 3.932 4.957 1.00 1.00 N ATOM 805 CA LEU A 58 6.822 4.592 3.660 1.00 1.00 C ATOM 806 C LEU A 58 5.422 5.170 3.468 1.00 1.00 C ATOM 807 O LEU A 58 5.243 6.197 2.815 1.00 1.00 O ATOM 808 CB LEU A 58 7.141 3.595 2.538 1.00 1.00 C ATOM 809 CG LEU A 58 7.204 4.314 1.184 1.00 1.00 C ATOM 810 CD1 LEU A 58 8.345 5.335 1.173 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.449 3.288 0.074 1.00 1.00 C ATOM 0 H LEU A 58 7.109 2.930 4.914 1.00 1.00 H new ATOM 0 HA LEU A 58 7.544 5.408 3.624 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.092 3.103 2.740 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.379 2.816 2.508 1.00 1.00 H new ATOM 0 HG LEU A 58 6.258 4.830 1.019 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.376 5.836 0.205 1.00 1.00 H new ATOM 0 HD12 LEU A 58 8.181 6.073 1.959 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.292 4.824 1.347 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.494 3.797 -0.889 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.392 2.773 0.256 1.00 1.00 H new ATOM 0 HD23 LEU A 58 6.636 2.563 0.063 1.00 1.00 H new ATOM 823 N SER A 59 4.430 4.508 4.044 1.00 1.00 N ATOM 824 CA SER A 59 3.055 4.981 3.941 1.00 1.00 C ATOM 825 C SER A 59 2.890 6.306 4.686 1.00 1.00 C ATOM 826 O SER A 59 2.188 7.207 4.231 1.00 1.00 O ATOM 827 CB SER A 59 2.098 3.943 4.524 1.00 1.00 C ATOM 828 OG SER A 59 1.136 3.587 3.540 1.00 1.00 O ATOM 0 H SER A 59 4.547 3.650 4.583 1.00 1.00 H new ATOM 0 HA SER A 59 2.821 5.135 2.888 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.652 3.060 4.844 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.601 4.345 5.407 1.00 1.00 H new ATOM 0 HG SER A 59 0.521 2.920 3.910 1.00 1.00 H new ATOM 834 N ARG A 60 3.524 6.395 5.855 1.00 1.00 N ATOM 835 CA ARG A 60 3.431 7.590 6.695 1.00 1.00 C ATOM 836 C ARG A 60 4.099 8.811 6.060 1.00 1.00 C ATOM 837 O ARG A 60 3.530 9.904 6.069 1.00 1.00 O ATOM 838 CB ARG A 60 4.074 7.314 8.054 1.00 1.00 C ATOM 839 CG ARG A 60 3.633 8.381 9.058 1.00 1.00 C ATOM 840 CD ARG A 60 2.576 7.793 9.995 1.00 1.00 C ATOM 841 NE ARG A 60 3.162 6.738 10.815 1.00 1.00 N ATOM 842 CZ ARG A 60 3.822 7.025 11.933 1.00 1.00 C ATOM 843 NH1 ARG A 60 3.943 8.264 12.321 1.00 1.00 N ATOM 844 NH2 ARG A 60 4.348 6.064 12.644 1.00 1.00 N ATOM 0 H ARG A 60 4.108 5.654 6.242 1.00 1.00 H new ATOM 0 HA ARG A 60 2.372 7.819 6.810 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.786 6.325 8.410 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.160 7.315 7.961 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.490 8.731 9.633 1.00 1.00 H new ATOM 0 HG3 ARG A 60 3.228 9.245 8.532 1.00 1.00 H new ATOM 0 HD2 ARG A 60 2.169 8.577 10.634 1.00 1.00 H new ATOM 0 HD3 ARG A 60 1.746 7.393 9.413 1.00 1.00 H new ATOM 0 HE ARG A 60 3.064 5.765 10.526 1.00 1.00 H new ATOM 0 HH11 ARG A 60 3.531 9.015 11.767 1.00 1.00 H new ATOM 0 HH12 ARG A 60 4.450 8.483 13.179 1.00 1.00 H new ATOM 0 HH21 ARG A 60 4.252 5.095 12.341 1.00 1.00 H new ATOM 0 HH22 ARG A 60 4.855 6.283 13.502 1.00 1.00 H new ATOM 858 N VAL A 61 5.308 8.641 5.526 1.00 1.00 N ATOM 859 CA VAL A 61 6.016 9.768 4.920 1.00 1.00 C ATOM 860 C VAL A 61 5.328 10.215 3.636 1.00 1.00 C ATOM 861 O VAL A 61 5.202 11.410 3.373 1.00 1.00 O ATOM 862 CB VAL A 61 7.473 9.399 4.624 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.528 8.385 3.486 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.244 10.656 4.215 1.00 1.00 C ATOM 0 H VAL A 61 5.809 7.753 5.500 1.00 1.00 H new ATOM 0 HA VAL A 61 5.998 10.592 5.633 1.00 1.00 H new ATOM 0 HB VAL A 61 7.921 8.966 5.518 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.566 8.126 3.279 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.980 7.487 3.772 1.00 1.00 H new ATOM 0 HG13 VAL A 61 7.077 8.816 2.592 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.281 10.394 4.004 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.790 11.087 3.323 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.211 11.383 5.026 1.00 1.00 H new ATOM 874 N ALA A 62 4.885 9.250 2.837 1.00 1.00 N ATOM 875 CA ALA A 62 4.212 9.564 1.581 1.00 1.00 C ATOM 876 C ALA A 62 3.137 10.625 1.792 1.00 1.00 C ATOM 877 O ALA A 62 2.971 11.527 0.970 1.00 1.00 O ATOM 878 CB ALA A 62 3.578 8.298 1.000 1.00 1.00 C ATOM 0 H ALA A 62 4.978 8.253 3.033 1.00 1.00 H new ATOM 0 HA ALA A 62 4.953 9.954 0.883 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.077 8.539 0.062 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.353 7.554 0.816 1.00 1.00 H new ATOM 0 HB3 ALA A 62 2.851 7.898 1.707 1.00 1.00 H new ATOM 884 N LEU A 63 2.406 10.508 2.896 1.00 1.00 N ATOM 885 CA LEU A 63 1.343 11.461 3.203 1.00 1.00 C ATOM 886 C LEU A 63 1.897 12.874 3.344 1.00 1.00 C ATOM 887 O LEU A 63 1.156 13.852 3.231 1.00 1.00 O ATOM 888 CB LEU A 63 0.651 11.063 4.507 1.00 1.00 C ATOM 889 CG LEU A 63 -0.271 9.869 4.254 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.348 9.006 5.516 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.670 10.373 3.896 1.00 1.00 C ATOM 0 H LEU A 63 2.528 9.769 3.589 1.00 1.00 H new ATOM 0 HA LEU A 63 0.628 11.445 2.380 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.395 10.808 5.262 1.00 1.00 H new ATOM 0 HB3 LEU A 63 0.076 11.903 4.897 1.00 1.00 H new ATOM 0 HG LEU A 63 0.124 9.274 3.431 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.005 8.155 5.335 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.649 8.647 5.772 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -0.742 9.601 6.340 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.328 9.523 3.715 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.064 10.968 4.720 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.616 10.988 2.997 1.00 1.00 H new ATOM 903 N VAL A 64 3.197 12.976 3.599 1.00 1.00 N ATOM 904 CA VAL A 64 3.835 14.279 3.766 1.00 1.00 C ATOM 905 C VAL A 64 4.689 14.636 2.552 1.00 1.00 C ATOM 906 O VAL A 64 4.650 15.767 2.070 1.00 1.00 O ATOM 907 CB VAL A 64 4.707 14.273 5.023 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.629 15.641 5.700 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.198 13.203 5.994 1.00 1.00 C ATOM 0 H VAL A 64 3.827 12.179 3.694 1.00 1.00 H new ATOM 0 HA VAL A 64 3.051 15.029 3.866 1.00 1.00 H new ATOM 0 HB VAL A 64 5.739 14.056 4.747 1.00 1.00 H new ATOM 0 HG11 VAL A 64 5.250 15.639 6.596 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.986 16.408 5.013 1.00 1.00 H new ATOM 0 HG13 VAL A 64 3.596 15.853 5.975 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.820 13.199 6.889 1.00 1.00 H new ATOM 0 HG22 VAL A 64 3.166 13.423 6.269 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.245 12.225 5.515 1.00 1.00 H new ATOM 919 N ARG A 65 5.456 13.666 2.058 1.00 1.00 N ATOM 920 CA ARG A 65 6.309 13.904 0.898 1.00 1.00 C ATOM 921 C ARG A 65 6.278 12.714 -0.055 1.00 1.00 C ATOM 922 O ARG A 65 7.173 11.868 -0.040 1.00 1.00 O ATOM 923 CB ARG A 65 7.751 14.155 1.341 1.00 1.00 C ATOM 924 CG ARG A 65 7.858 15.521 2.033 1.00 1.00 C ATOM 925 CD ARG A 65 7.647 16.655 1.020 1.00 1.00 C ATOM 926 NE ARG A 65 6.346 17.280 1.227 1.00 1.00 N ATOM 927 CZ ARG A 65 6.157 18.168 2.198 1.00 1.00 C ATOM 928 NH1 ARG A 65 7.145 18.491 2.987 1.00 1.00 N ATOM 929 NH2 ARG A 65 4.985 18.718 2.360 1.00 1.00 N ATOM 0 H ARG A 65 5.504 12.720 2.437 1.00 1.00 H new ATOM 0 HA ARG A 65 5.927 14.783 0.379 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.073 13.367 2.022 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.416 14.122 0.478 1.00 1.00 H new ATOM 0 HG2 ARG A 65 7.115 15.592 2.827 1.00 1.00 H new ATOM 0 HG3 ARG A 65 8.837 15.622 2.502 1.00 1.00 H new ATOM 0 HD2 ARG A 65 8.437 17.399 1.126 1.00 1.00 H new ATOM 0 HD3 ARG A 65 7.713 16.263 0.005 1.00 1.00 H new ATOM 0 HE ARG A 65 5.568 17.032 0.616 1.00 1.00 H new ATOM 0 HH11 ARG A 65 8.062 18.062 2.858 1.00 1.00 H new ATOM 0 HH12 ARG A 65 7.001 19.172 3.732 1.00 1.00 H new ATOM 0 HH21 ARG A 65 4.214 18.467 1.742 1.00 1.00 H new ATOM 0 HH22 ARG A 65 4.840 19.399 3.105 1.00 1.00 H new ATOM 943 N ARG A 66 5.248 12.663 -0.888 1.00 1.00 N ATOM 944 CA ARG A 66 5.107 11.585 -1.858 1.00 1.00 C ATOM 945 C ARG A 66 6.310 11.552 -2.797 1.00 1.00 C ATOM 946 O ARG A 66 6.703 10.494 -3.285 1.00 1.00 O ATOM 947 CB ARG A 66 3.825 11.778 -2.669 1.00 1.00 C ATOM 948 CG ARG A 66 3.699 10.658 -3.704 1.00 1.00 C ATOM 949 CD ARG A 66 2.240 10.210 -3.795 1.00 1.00 C ATOM 950 NE ARG A 66 1.784 9.708 -2.504 1.00 1.00 N ATOM 951 CZ ARG A 66 0.752 8.876 -2.417 1.00 1.00 C ATOM 952 NH1 ARG A 66 0.128 8.494 -3.497 1.00 1.00 N ATOM 953 NH2 ARG A 66 0.362 8.440 -1.249 1.00 1.00 N ATOM 0 H ARG A 66 4.498 13.354 -0.912 1.00 1.00 H new ATOM 0 HA ARG A 66 5.055 10.638 -1.320 1.00 1.00 H new ATOM 0 HB2 ARG A 66 2.959 11.774 -2.006 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.840 12.747 -3.167 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.045 11.007 -4.677 1.00 1.00 H new ATOM 0 HG3 ARG A 66 4.332 9.816 -3.424 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.615 11.046 -4.110 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.138 9.433 -4.552 1.00 1.00 H new ATOM 0 HE ARG A 66 2.265 10.001 -1.654 1.00 1.00 H new ATOM 0 HH11 ARG A 66 0.432 8.834 -4.409 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -0.664 7.855 -3.429 1.00 1.00 H new ATOM 0 HH21 ARG A 66 0.850 8.738 -0.404 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -0.430 7.801 -1.182 1.00 1.00 H new ATOM 967 N ASP A 67 6.885 12.725 -3.045 1.00 1.00 N ATOM 968 CA ASP A 67 8.040 12.829 -3.933 1.00 1.00 C ATOM 969 C ASP A 67 9.202 11.989 -3.413 1.00 1.00 C ATOM 970 O ASP A 67 9.889 11.320 -4.178 1.00 1.00 O ATOM 971 CB ASP A 67 8.475 14.290 -4.053 1.00 1.00 C ATOM 972 CG ASP A 67 7.872 14.909 -5.310 1.00 1.00 C ATOM 973 OD1 ASP A 67 6.685 15.186 -5.298 1.00 1.00 O ATOM 974 OD2 ASP A 67 8.606 15.089 -6.268 1.00 1.00 O ATOM 0 H ASP A 67 6.574 13.611 -2.647 1.00 1.00 H new ATOM 0 HA ASP A 67 7.752 12.453 -4.915 1.00 1.00 H new ATOM 0 HB2 ASP A 67 8.155 14.847 -3.173 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.562 14.353 -4.092 1.00 1.00 H new ATOM 979 N ARG A 68 9.418 12.032 -2.106 1.00 1.00 N ATOM 980 CA ARG A 68 10.502 11.270 -1.497 1.00 1.00 C ATOM 981 C ARG A 68 10.181 9.776 -1.494 1.00 1.00 C ATOM 982 O ARG A 68 11.063 8.934 -1.681 1.00 1.00 O ATOM 983 CB ARG A 68 10.718 11.750 -0.061 1.00 1.00 C ATOM 984 CG ARG A 68 11.949 12.657 -0.002 1.00 1.00 C ATOM 985 CD ARG A 68 11.795 13.800 -1.007 1.00 1.00 C ATOM 986 NE ARG A 68 12.325 15.040 -0.451 1.00 1.00 N ATOM 987 CZ ARG A 68 12.039 16.215 -1.001 1.00 1.00 C ATOM 988 NH1 ARG A 68 11.253 16.275 -2.041 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.543 17.309 -0.500 1.00 1.00 N ATOM 0 H ARG A 68 8.863 12.581 -1.450 1.00 1.00 H new ATOM 0 HA ARG A 68 11.409 11.428 -2.081 1.00 1.00 H new ATOM 0 HB2 ARG A 68 9.838 12.291 0.288 1.00 1.00 H new ATOM 0 HB3 ARG A 68 10.851 10.896 0.602 1.00 1.00 H new ATOM 0 HG2 ARG A 68 12.069 13.058 1.004 1.00 1.00 H new ATOM 0 HG3 ARG A 68 12.848 12.082 -0.225 1.00 1.00 H new ATOM 0 HD2 ARG A 68 12.320 13.554 -1.930 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.743 13.929 -1.263 1.00 1.00 H new ATOM 0 HE ARG A 68 12.925 15.004 0.373 1.00 1.00 H new ATOM 0 HH11 ARG A 68 10.858 15.420 -2.432 1.00 1.00 H new ATOM 0 HH12 ARG A 68 11.034 17.177 -2.463 1.00 1.00 H new ATOM 0 HH21 ARG A 68 13.156 17.262 0.314 1.00 1.00 H new ATOM 0 HH22 ARG A 68 12.324 18.211 -0.922 1.00 1.00 H new ATOM 1003 N ALA A 69 8.914 9.457 -1.261 1.00 1.00 N ATOM 1004 CA ALA A 69 8.467 8.068 -1.206 1.00 1.00 C ATOM 1005 C ALA A 69 8.629 7.356 -2.549 1.00 1.00 C ATOM 1006 O ALA A 69 8.872 6.149 -2.591 1.00 1.00 O ATOM 1007 CB ALA A 69 6.996 8.024 -0.801 1.00 1.00 C ATOM 0 H ALA A 69 8.175 10.143 -1.106 1.00 1.00 H new ATOM 0 HA ALA A 69 9.088 7.554 -0.473 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.661 6.988 -0.760 1.00 1.00 H new ATOM 0 HB2 ALA A 69 6.875 8.484 0.180 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.400 8.569 -1.534 1.00 1.00 H new ATOM 1013 N GLN A 70 8.479 8.097 -3.638 1.00 1.00 N ATOM 1014 CA GLN A 70 8.594 7.501 -4.965 1.00 1.00 C ATOM 1015 C GLN A 70 10.051 7.207 -5.301 1.00 1.00 C ATOM 1016 O GLN A 70 10.355 6.228 -5.981 1.00 1.00 O ATOM 1017 CB GLN A 70 7.949 8.413 -6.021 1.00 1.00 C ATOM 1018 CG GLN A 70 8.971 9.395 -6.598 1.00 1.00 C ATOM 1019 CD GLN A 70 9.787 8.731 -7.705 1.00 1.00 C ATOM 1020 OE1 GLN A 70 9.459 7.630 -8.148 1.00 1.00 O ATOM 1021 NE2 GLN A 70 10.842 9.339 -8.175 1.00 1.00 N ATOM 0 H GLN A 70 8.280 9.097 -3.633 1.00 1.00 H new ATOM 0 HA GLN A 70 8.057 6.552 -4.967 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.530 7.806 -6.823 1.00 1.00 H new ATOM 0 HB3 GLN A 70 7.122 8.965 -5.574 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.458 10.272 -6.993 1.00 1.00 H new ATOM 0 HG3 GLN A 70 9.636 9.743 -5.807 1.00 1.00 H new ATOM 0 HE21 GLN A 70 11.112 10.251 -7.806 1.00 1.00 H new ATOM 0 HE22 GLN A 70 11.397 8.902 -8.911 1.00 1.00 H new ATOM 1030 N ALA A 71 10.948 8.055 -4.814 1.00 1.00 N ATOM 1031 CA ALA A 71 12.368 7.870 -5.064 1.00 1.00 C ATOM 1032 C ALA A 71 12.853 6.574 -4.420 1.00 1.00 C ATOM 1033 O ALA A 71 13.671 5.856 -4.994 1.00 1.00 O ATOM 1034 CB ALA A 71 13.150 9.054 -4.498 1.00 1.00 C ATOM 0 H ALA A 71 10.718 8.872 -4.248 1.00 1.00 H new ATOM 0 HA ALA A 71 12.532 7.811 -6.140 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.214 8.911 -4.687 1.00 1.00 H new ATOM 0 HB2 ALA A 71 12.816 9.974 -4.978 1.00 1.00 H new ATOM 0 HB3 ALA A 71 12.979 9.123 -3.424 1.00 1.00 H new ATOM 1040 N VAL A 72 12.339 6.276 -3.228 1.00 1.00 N ATOM 1041 CA VAL A 72 12.731 5.056 -2.528 1.00 1.00 C ATOM 1042 C VAL A 72 12.271 3.830 -3.304 1.00 1.00 C ATOM 1043 O VAL A 72 13.042 2.903 -3.546 1.00 1.00 O ATOM 1044 CB VAL A 72 12.108 5.027 -1.134 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.710 3.869 -0.337 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.400 6.345 -0.414 1.00 1.00 C ATOM 0 H VAL A 72 11.660 6.854 -2.733 1.00 1.00 H new ATOM 0 HA VAL A 72 13.818 5.044 -2.443 1.00 1.00 H new ATOM 0 HB VAL A 72 11.030 4.893 -1.220 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.268 3.844 0.659 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.504 2.929 -0.849 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.788 4.007 -0.252 1.00 1.00 H new ATOM 0 HG21 VAL A 72 11.955 6.323 0.581 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.478 6.480 -0.326 1.00 1.00 H new ATOM 0 HG23 VAL A 72 11.976 7.172 -0.983 1.00 1.00 H new ATOM 1056 N GLU A 73 11.013 3.845 -3.699 1.00 1.00 N ATOM 1057 CA GLU A 73 10.448 2.739 -4.463 1.00 1.00 C ATOM 1058 C GLU A 73 11.280 2.491 -5.719 1.00 1.00 C ATOM 1059 O GLU A 73 11.426 1.354 -6.168 1.00 1.00 O ATOM 1060 CB GLU A 73 9.004 3.058 -4.859 1.00 1.00 C ATOM 1061 CG GLU A 73 8.058 2.607 -3.744 1.00 1.00 C ATOM 1062 CD GLU A 73 7.689 1.139 -3.934 1.00 1.00 C ATOM 1063 OE1 GLU A 73 8.492 0.296 -3.568 1.00 1.00 O ATOM 1064 OE2 GLU A 73 6.610 0.880 -4.440 1.00 1.00 O ATOM 0 H GLU A 73 10.361 4.606 -3.507 1.00 1.00 H new ATOM 0 HA GLU A 73 10.460 1.843 -3.842 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.892 4.128 -5.035 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.751 2.553 -5.791 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.533 2.748 -2.773 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.157 3.221 -3.750 1.00 1.00 H new ATOM 1071 N THR A 74 11.822 3.570 -6.277 1.00 1.00 N ATOM 1072 CA THR A 74 12.638 3.470 -7.481 1.00 1.00 C ATOM 1073 C THR A 74 14.025 2.927 -7.147 1.00 1.00 C ATOM 1074 O THR A 74 14.640 2.231 -7.955 1.00 1.00 O ATOM 1075 CB THR A 74 12.771 4.845 -8.138 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.516 5.512 -8.095 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.214 4.681 -9.592 1.00 1.00 C ATOM 0 H THR A 74 11.711 4.518 -5.917 1.00 1.00 H new ATOM 0 HA THR A 74 12.149 2.783 -8.172 1.00 1.00 H new ATOM 0 HB THR A 74 13.515 5.433 -7.600 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.428 5.989 -7.244 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.308 5.663 -10.057 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.177 4.171 -9.624 1.00 1.00 H new ATOM 0 HG23 THR A 74 12.474 4.092 -10.134 1.00 1.00 H new ATOM 1085 N TYR A 75 14.508 3.249 -5.952 1.00 1.00 N ATOM 1086 CA TYR A 75 15.821 2.787 -5.521 1.00 1.00 C ATOM 1087 C TYR A 75 15.847 1.263 -5.440 1.00 1.00 C ATOM 1088 O TYR A 75 16.759 0.617 -5.956 1.00 1.00 O ATOM 1089 CB TYR A 75 16.151 3.392 -4.153 1.00 1.00 C ATOM 1090 CG TYR A 75 17.420 2.784 -3.615 1.00 1.00 C ATOM 1091 CD1 TYR A 75 18.662 3.295 -4.008 1.00 1.00 C ATOM 1092 CD2 TYR A 75 17.355 1.713 -2.715 1.00 1.00 C ATOM 1093 CE1 TYR A 75 19.841 2.734 -3.504 1.00 1.00 C ATOM 1094 CE2 TYR A 75 18.534 1.153 -2.211 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.778 1.662 -2.604 1.00 1.00 C ATOM 1096 OH TYR A 75 20.939 1.110 -2.106 1.00 1.00 O ATOM 0 H TYR A 75 14.014 3.824 -5.269 1.00 1.00 H new ATOM 0 HA TYR A 75 16.568 3.107 -6.248 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.264 4.472 -4.242 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.330 3.213 -3.459 1.00 1.00 H new ATOM 0 HD1 TYR A 75 18.711 4.122 -4.700 1.00 1.00 H new ATOM 0 HD2 TYR A 75 16.396 1.320 -2.410 1.00 1.00 H new ATOM 0 HE1 TYR A 75 20.799 3.127 -3.809 1.00 1.00 H new ATOM 0 HE2 TYR A 75 18.485 0.327 -1.518 1.00 1.00 H new ATOM 0 HH TYR A 75 20.717 0.377 -1.495 1.00 1.00 H new ATOM 1106 N LEU A 76 14.835 0.699 -4.792 1.00 1.00 N ATOM 1107 CA LEU A 76 14.732 -0.751 -4.645 1.00 1.00 C ATOM 1108 C LEU A 76 14.568 -1.430 -6.002 1.00 1.00 C ATOM 1109 O LEU A 76 15.176 -2.469 -6.262 1.00 1.00 O ATOM 1110 CB LEU A 76 13.519 -1.093 -3.777 1.00 1.00 C ATOM 1111 CG LEU A 76 13.546 -2.582 -3.406 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.719 -2.877 -2.463 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.232 -2.959 -2.714 1.00 1.00 C ATOM 0 H LEU A 76 14.073 1.222 -4.359 1.00 1.00 H new ATOM 0 HA LEU A 76 15.649 -1.109 -4.178 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.524 -0.484 -2.873 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.599 -0.859 -4.314 1.00 1.00 H new ATOM 0 HG LEU A 76 13.668 -3.169 -4.316 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.724 -3.937 -2.209 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.656 -2.617 -2.956 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.612 -2.287 -1.553 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.250 -4.016 -2.450 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.112 -2.361 -1.810 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.398 -2.768 -3.389 1.00 1.00 H new ATOM 1125 N LYS A 77 13.737 -0.846 -6.857 1.00 1.00 N ATOM 1126 CA LYS A 77 13.489 -1.413 -8.172 1.00 1.00 C ATOM 1127 C LYS A 77 14.794 -1.537 -8.954 1.00 1.00 C ATOM 1128 O LYS A 77 14.994 -2.502 -9.691 1.00 1.00 O ATOM 1129 CB LYS A 77 12.477 -0.527 -8.917 1.00 1.00 C ATOM 1130 CG LYS A 77 12.857 -0.377 -10.391 1.00 1.00 C ATOM 1131 CD LYS A 77 11.694 0.265 -11.153 1.00 1.00 C ATOM 1132 CE LYS A 77 11.437 1.672 -10.616 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.690 2.462 -11.636 1.00 1.00 N ATOM 0 H LYS A 77 13.227 0.016 -6.663 1.00 1.00 H new ATOM 0 HA LYS A 77 13.073 -2.415 -8.068 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.481 -0.962 -8.838 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.434 0.456 -8.447 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.752 0.238 -10.486 1.00 1.00 H new ATOM 0 HG3 LYS A 77 13.092 -1.352 -10.818 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.925 0.309 -12.217 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.797 -0.344 -11.046 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.865 1.621 -9.689 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.382 2.162 -10.381 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.514 3.420 -11.272 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 11.252 2.521 -12.509 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.782 1.997 -11.839 1.00 1.00 H new ATOM 1147 N LYS A 78 15.679 -0.564 -8.788 1.00 1.00 N ATOM 1148 CA LYS A 78 16.960 -0.587 -9.485 1.00 1.00 C ATOM 1149 C LYS A 78 17.813 -1.760 -9.006 1.00 1.00 C ATOM 1150 O LYS A 78 18.463 -2.434 -9.804 1.00 1.00 O ATOM 1151 CB LYS A 78 17.711 0.724 -9.242 1.00 1.00 C ATOM 1152 CG LYS A 78 18.660 0.995 -10.412 1.00 1.00 C ATOM 1153 CD LYS A 78 19.839 1.842 -9.928 1.00 1.00 C ATOM 1154 CE LYS A 78 19.315 3.142 -9.315 1.00 1.00 C ATOM 1155 NZ LYS A 78 20.443 4.103 -9.149 1.00 1.00 N ATOM 0 H LYS A 78 15.537 0.245 -8.183 1.00 1.00 H new ATOM 0 HA LYS A 78 16.768 -0.704 -10.552 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.003 1.546 -9.136 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.273 0.666 -8.310 1.00 1.00 H new ATOM 0 HG2 LYS A 78 19.021 0.054 -10.827 1.00 1.00 H new ATOM 0 HG3 LYS A 78 18.130 1.513 -11.211 1.00 1.00 H new ATOM 0 HD2 LYS A 78 20.420 1.288 -9.191 1.00 1.00 H new ATOM 0 HD3 LYS A 78 20.508 2.063 -10.760 1.00 1.00 H new ATOM 0 HE2 LYS A 78 18.546 3.574 -9.955 1.00 1.00 H new ATOM 0 HE3 LYS A 78 18.850 2.940 -8.350 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 20.087 4.987 -8.732 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 21.162 3.689 -8.522 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 20.867 4.304 -10.077 1.00 1.00 H new ATOM 1169 N LEU A 79 17.793 -1.999 -7.699 1.00 1.00 N ATOM 1170 CA LEU A 79 18.562 -3.101 -7.128 1.00 1.00 C ATOM 1171 C LEU A 79 17.967 -4.445 -7.540 1.00 1.00 C ATOM 1172 O LEU A 79 18.686 -5.346 -7.972 1.00 1.00 O ATOM 1173 CB LEU A 79 18.578 -2.999 -5.600 1.00 1.00 C ATOM 1174 CG LEU A 79 19.151 -1.644 -5.174 1.00 1.00 C ATOM 1175 CD1 LEU A 79 19.106 -1.533 -3.651 1.00 1.00 C ATOM 1176 CD2 LEU A 79 20.602 -1.519 -5.648 1.00 1.00 C ATOM 0 H LEU A 79 17.260 -1.453 -7.022 1.00 1.00 H new ATOM 0 HA LEU A 79 19.582 -3.034 -7.507 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.567 -3.116 -5.208 1.00 1.00 H new ATOM 0 HB3 LEU A 79 19.178 -3.806 -5.179 1.00 1.00 H new ATOM 0 HG LEU A 79 18.557 -0.847 -5.621 1.00 1.00 H new ATOM 0 HD11 LEU A 79 19.513 -0.570 -3.344 1.00 1.00 H new ATOM 0 HD12 LEU A 79 18.074 -1.616 -3.310 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.699 -2.334 -3.210 1.00 1.00 H new ATOM 0 HD21 LEU A 79 21.003 -0.553 -5.341 1.00 1.00 H new ATOM 0 HD22 LEU A 79 21.199 -2.317 -5.206 1.00 1.00 H new ATOM 0 HD23 LEU A 79 20.638 -1.599 -6.734 1.00 1.00 H new ATOM 1188 N ILE A 80 16.650 -4.574 -7.398 1.00 1.00 N ATOM 1189 CA ILE A 80 15.969 -5.816 -7.754 1.00 1.00 C ATOM 1190 C ILE A 80 15.969 -6.031 -9.266 1.00 1.00 C ATOM 1191 O ILE A 80 16.222 -7.137 -9.743 1.00 1.00 O ATOM 1192 CB ILE A 80 14.530 -5.797 -7.233 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.549 -5.870 -5.699 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.772 -7.004 -7.797 1.00 1.00 C ATOM 1195 CD1 ILE A 80 13.136 -5.657 -5.145 1.00 1.00 C ATOM 0 H ILE A 80 16.037 -3.840 -7.042 1.00 1.00 H new ATOM 0 HA ILE A 80 16.510 -6.641 -7.290 1.00 1.00 H new ATOM 0 HB ILE A 80 14.034 -4.879 -7.548 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.932 -6.839 -5.378 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.223 -5.112 -5.299 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.746 -6.994 -7.428 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.767 -6.954 -8.886 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.263 -7.923 -7.479 1.00 1.00 H new ATOM 0 HD11 ILE A 80 13.160 -5.711 -4.057 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.769 -4.678 -5.452 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.473 -6.431 -5.532 1.00 1.00 H new ATOM 1207 N ALA A 81 15.674 -4.972 -10.013 1.00 1.00 N ATOM 1208 CA ALA A 81 15.636 -5.067 -11.471 1.00 1.00 C ATOM 1209 C ALA A 81 17.013 -5.409 -12.026 1.00 1.00 C ATOM 1210 O ALA A 81 17.130 -6.113 -13.029 1.00 1.00 O ATOM 1211 CB ALA A 81 15.159 -3.743 -12.072 1.00 1.00 C ATOM 0 H ALA A 81 15.460 -4.047 -9.640 1.00 1.00 H new ATOM 0 HA ALA A 81 14.940 -5.861 -11.742 1.00 1.00 H new ATOM 0 HB1 ALA A 81 15.134 -3.825 -13.159 1.00 1.00 H new ATOM 0 HB2 ALA A 81 14.159 -3.515 -11.702 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.843 -2.945 -11.784 1.00 1.00 H new ATOM 1306 N LYS A 88 15.425 -7.783 1.592 1.00 1.00 N ATOM 1307 CA LYS A 88 14.071 -7.328 1.888 1.00 1.00 C ATOM 1308 C LYS A 88 14.112 -5.993 2.623 1.00 1.00 C ATOM 1309 O LYS A 88 14.390 -5.941 3.821 1.00 1.00 O ATOM 1310 CB LYS A 88 13.338 -8.363 2.743 1.00 1.00 C ATOM 1311 CG LYS A 88 13.575 -9.762 2.165 1.00 1.00 C ATOM 1312 CD LYS A 88 14.654 -10.492 2.972 1.00 1.00 C ATOM 1313 CE LYS A 88 15.303 -11.562 2.093 1.00 1.00 C ATOM 1314 NZ LYS A 88 16.198 -12.414 2.926 1.00 1.00 N ATOM 0 HA LYS A 88 13.537 -7.201 0.947 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.694 -8.318 3.772 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.271 -8.143 2.765 1.00 1.00 H new ATOM 0 HG2 LYS A 88 12.647 -10.333 2.184 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.880 -9.685 1.121 1.00 1.00 H new ATOM 0 HD2 LYS A 88 15.407 -9.784 3.319 1.00 1.00 H new ATOM 0 HD3 LYS A 88 14.215 -10.950 3.858 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.535 -12.175 1.621 1.00 1.00 H new ATOM 0 HE3 LYS A 88 15.873 -11.093 1.291 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 16.639 -13.142 2.328 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 16.938 -11.823 3.356 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 15.642 -12.872 3.676 1.00 1.00 H new ATOM 1328 N ILE A 89 13.836 -4.919 1.895 1.00 1.00 N ATOM 1329 CA ILE A 89 13.845 -3.587 2.485 1.00 1.00 C ATOM 1330 C ILE A 89 13.183 -3.609 3.860 1.00 1.00 C ATOM 1331 O ILE A 89 12.266 -4.392 4.112 1.00 1.00 O ATOM 1332 CB ILE A 89 13.128 -2.590 1.547 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.185 -1.707 0.868 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.146 -1.703 2.334 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.522 -0.740 -0.118 1.00 1.00 C ATOM 0 H ILE A 89 13.605 -4.943 0.902 1.00 1.00 H new ATOM 0 HA ILE A 89 14.878 -3.263 2.612 1.00 1.00 H new ATOM 0 HB ILE A 89 12.561 -3.148 0.802 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.737 -1.146 1.622 1.00 1.00 H new ATOM 0 HG13 ILE A 89 14.907 -2.332 0.343 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.654 -1.010 1.651 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.396 -2.330 2.817 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.691 -1.140 3.092 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.285 -0.122 -0.590 1.00 1.00 H new ATOM 0 HD12 ILE A 89 12.990 -1.307 -0.882 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.818 -0.102 0.416 1.00 1.00 H new ATOM 1347 N THR A 90 13.648 -2.727 4.735 1.00 1.00 N ATOM 1348 CA THR A 90 13.100 -2.619 6.080 1.00 1.00 C ATOM 1349 C THR A 90 12.810 -1.155 6.403 1.00 1.00 C ATOM 1350 O THR A 90 13.206 -0.260 5.659 1.00 1.00 O ATOM 1351 CB THR A 90 14.091 -3.184 7.099 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.187 -2.290 7.237 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.598 -4.546 6.622 1.00 1.00 C ATOM 0 H THR A 90 14.406 -2.074 4.536 1.00 1.00 H new ATOM 0 HA THR A 90 12.174 -3.191 6.131 1.00 1.00 H new ATOM 0 HB THR A 90 13.594 -3.302 8.062 1.00 1.00 H new ATOM 0 HG1 THR A 90 15.822 -2.650 7.891 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.304 -4.947 7.350 1.00 1.00 H new ATOM 0 HG22 THR A 90 13.757 -5.231 6.517 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.095 -4.432 5.659 1.00 1.00 H new ATOM 1361 N GLU A 91 12.118 -0.920 7.510 1.00 1.00 N ATOM 1362 CA GLU A 91 11.780 0.442 7.910 1.00 1.00 C ATOM 1363 C GLU A 91 13.035 1.302 7.980 1.00 1.00 C ATOM 1364 O GLU A 91 12.992 2.513 7.754 1.00 1.00 O ATOM 1365 CB GLU A 91 11.097 0.428 9.280 1.00 1.00 C ATOM 1366 CG GLU A 91 12.145 0.246 10.379 1.00 1.00 C ATOM 1367 CD GLU A 91 11.472 -0.269 11.646 1.00 1.00 C ATOM 1368 OE1 GLU A 91 10.419 0.247 11.983 1.00 1.00 O ATOM 1369 OE2 GLU A 91 12.007 -1.183 12.251 1.00 1.00 O ATOM 0 H GLU A 91 11.782 -1.646 8.143 1.00 1.00 H new ATOM 0 HA GLU A 91 11.102 0.863 7.168 1.00 1.00 H new ATOM 0 HB2 GLU A 91 10.552 1.359 9.435 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.366 -0.380 9.324 1.00 1.00 H new ATOM 0 HG2 GLU A 91 12.912 -0.456 10.052 1.00 1.00 H new ATOM 0 HG3 GLU A 91 12.645 1.194 10.580 1.00 1.00 H new ATOM 1376 N ALA A 92 14.150 0.662 8.294 1.00 1.00 N ATOM 1377 CA ALA A 92 15.424 1.363 8.400 1.00 1.00 C ATOM 1378 C ALA A 92 16.020 1.611 7.019 1.00 1.00 C ATOM 1379 O ALA A 92 16.656 2.638 6.783 1.00 1.00 O ATOM 1380 CB ALA A 92 16.402 0.541 9.241 1.00 1.00 C ATOM 0 H ALA A 92 14.201 -0.340 8.480 1.00 1.00 H new ATOM 0 HA ALA A 92 15.248 2.325 8.882 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.352 1.071 9.316 1.00 1.00 H new ATOM 0 HB2 ALA A 92 15.989 0.393 10.239 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.563 -0.428 8.768 1.00 1.00 H new ATOM 1386 N GLU A 93 15.813 0.665 6.110 1.00 1.00 N ATOM 1387 CA GLU A 93 16.341 0.798 4.758 1.00 1.00 C ATOM 1388 C GLU A 93 15.710 1.992 4.055 1.00 1.00 C ATOM 1389 O GLU A 93 16.410 2.795 3.447 1.00 1.00 O ATOM 1390 CB GLU A 93 16.063 -0.468 3.950 1.00 1.00 C ATOM 1391 CG GLU A 93 16.717 -1.673 4.632 1.00 1.00 C ATOM 1392 CD GLU A 93 18.117 -1.896 4.072 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.258 -1.883 2.859 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.027 -2.083 4.862 1.00 1.00 O ATOM 0 H GLU A 93 15.289 -0.193 6.282 1.00 1.00 H new ATOM 0 HA GLU A 93 17.418 0.951 4.829 1.00 1.00 H new ATOM 0 HB2 GLU A 93 14.988 -0.627 3.864 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.451 -0.357 2.938 1.00 1.00 H new ATOM 0 HG2 GLU A 93 16.769 -1.507 5.708 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.108 -2.564 4.476 1.00 1.00 H new ATOM 1401 N ILE A 94 14.386 2.109 4.149 1.00 1.00 N ATOM 1402 CA ILE A 94 13.680 3.217 3.511 1.00 1.00 C ATOM 1403 C ILE A 94 14.143 4.531 4.110 1.00 1.00 C ATOM 1404 O ILE A 94 14.441 5.484 3.391 1.00 1.00 O ATOM 1405 CB ILE A 94 12.174 3.065 3.715 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.754 1.666 3.268 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.433 4.114 2.884 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.243 1.497 3.443 1.00 1.00 C ATOM 0 H ILE A 94 13.787 1.457 4.655 1.00 1.00 H new ATOM 0 HA ILE A 94 13.898 3.208 2.443 1.00 1.00 H new ATOM 0 HB ILE A 94 11.928 3.207 4.767 1.00 1.00 H new ATOM 0 HG12 ILE A 94 12.028 1.510 2.225 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.283 0.913 3.852 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.359 4.003 3.032 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.741 5.111 3.198 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.670 3.976 1.829 1.00 1.00 H new ATOM 0 HD11 ILE A 94 9.949 0.497 3.123 1.00 1.00 H new ATOM 0 HD12 ILE A 94 9.981 1.634 4.492 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.721 2.240 2.839 1.00 1.00 H new ATOM 1420 N VAL A 95 14.236 4.563 5.428 1.00 1.00 N ATOM 1421 CA VAL A 95 14.708 5.750 6.112 1.00 1.00 C ATOM 1422 C VAL A 95 16.074 6.132 5.559 1.00 1.00 C ATOM 1423 O VAL A 95 16.391 7.311 5.400 1.00 1.00 O ATOM 1424 CB VAL A 95 14.809 5.489 7.616 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.794 6.479 8.240 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.432 5.667 8.257 1.00 1.00 C ATOM 0 H VAL A 95 13.992 3.785 6.041 1.00 1.00 H new ATOM 0 HA VAL A 95 14.004 6.566 5.949 1.00 1.00 H new ATOM 0 HB VAL A 95 15.160 4.471 7.786 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.866 6.294 9.312 1.00 1.00 H new ATOM 0 HG12 VAL A 95 16.775 6.353 7.783 1.00 1.00 H new ATOM 0 HG13 VAL A 95 15.443 7.497 8.071 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.503 5.481 9.329 1.00 1.00 H new ATOM 0 HG22 VAL A 95 13.081 6.685 8.088 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.730 4.962 7.812 1.00 1.00 H new ATOM 1436 N SER A 96 16.885 5.112 5.287 1.00 1.00 N ATOM 1437 CA SER A 96 18.233 5.331 4.769 1.00 1.00 C ATOM 1438 C SER A 96 18.197 6.049 3.423 1.00 1.00 C ATOM 1439 O SER A 96 18.938 7.008 3.213 1.00 1.00 O ATOM 1440 CB SER A 96 18.965 3.996 4.625 1.00 1.00 C ATOM 1441 OG SER A 96 20.022 3.937 5.573 1.00 1.00 O ATOM 0 H SER A 96 16.634 4.132 5.416 1.00 1.00 H new ATOM 0 HA SER A 96 18.767 5.962 5.479 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.272 3.169 4.783 1.00 1.00 H new ATOM 0 HB3 SER A 96 19.361 3.892 3.615 1.00 1.00 H new ATOM 0 HG SER A 96 20.493 3.082 5.485 1.00 1.00 H new ATOM 1447 N ILE A 97 17.330 5.602 2.516 1.00 1.00 N ATOM 1448 CA ILE A 97 17.237 6.258 1.217 1.00 1.00 C ATOM 1449 C ILE A 97 16.683 7.662 1.413 1.00 1.00 C ATOM 1450 O ILE A 97 17.169 8.623 0.818 1.00 1.00 O ATOM 1451 CB ILE A 97 16.334 5.483 0.249 1.00 1.00 C ATOM 1452 CG1 ILE A 97 16.404 3.977 0.522 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.792 5.755 -1.184 1.00 1.00 C ATOM 1454 CD1 ILE A 97 17.859 3.513 0.606 1.00 1.00 C ATOM 0 H ILE A 97 16.700 4.812 2.651 1.00 1.00 H new ATOM 0 HA ILE A 97 18.235 6.295 0.781 1.00 1.00 H new ATOM 0 HB ILE A 97 15.305 5.813 0.390 1.00 1.00 H new ATOM 0 HG12 ILE A 97 15.889 3.746 1.454 1.00 1.00 H new ATOM 0 HG13 ILE A 97 15.888 3.434 -0.270 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.156 5.208 -1.879 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.723 6.823 -1.392 1.00 1.00 H new ATOM 0 HG23 ILE A 97 17.825 5.429 -1.304 1.00 1.00 H new ATOM 0 HD11 ILE A 97 17.888 2.441 0.800 1.00 1.00 H new ATOM 0 HD12 ILE A 97 18.363 3.725 -0.337 1.00 1.00 H new ATOM 0 HD13 ILE A 97 18.364 4.042 1.414 1.00 1.00 H new ATOM 1466 N LEU A 98 15.663 7.765 2.258 1.00 1.00 N ATOM 1467 CA LEU A 98 15.039 9.051 2.543 1.00 1.00 C ATOM 1468 C LEU A 98 16.091 10.051 3.006 1.00 1.00 C ATOM 1469 O LEU A 98 16.055 11.224 2.634 1.00 1.00 O ATOM 1470 CB LEU A 98 13.981 8.873 3.640 1.00 1.00 C ATOM 1471 CG LEU A 98 13.241 10.193 3.884 1.00 1.00 C ATOM 1472 CD1 LEU A 98 12.484 10.608 2.622 1.00 1.00 C ATOM 1473 CD2 LEU A 98 12.244 10.006 5.031 1.00 1.00 C ATOM 0 H LEU A 98 15.252 6.976 2.756 1.00 1.00 H new ATOM 0 HA LEU A 98 14.566 9.428 1.636 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.271 8.099 3.348 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.456 8.539 4.562 1.00 1.00 H new ATOM 0 HG LEU A 98 13.963 10.968 4.140 1.00 1.00 H new ATOM 0 HD11 LEU A 98 11.961 11.547 2.804 1.00 1.00 H new ATOM 0 HD12 LEU A 98 13.189 10.738 1.801 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.762 9.835 2.360 1.00 1.00 H new ATOM 0 HD21 LEU A 98 11.715 10.942 5.209 1.00 1.00 H new ATOM 0 HD22 LEU A 98 11.527 9.228 4.767 1.00 1.00 H new ATOM 0 HD23 LEU A 98 12.779 9.714 5.935 1.00 1.00 H new ATOM 1485 N ASN A 99 17.027 9.577 3.820 1.00 1.00 N ATOM 1486 CA ASN A 99 18.087 10.433 4.331 1.00 1.00 C ATOM 1487 C ASN A 99 18.964 10.942 3.190 1.00 1.00 C ATOM 1488 O ASN A 99 19.463 12.067 3.234 1.00 1.00 O ATOM 1489 CB ASN A 99 18.943 9.654 5.335 1.00 1.00 C ATOM 1490 CG ASN A 99 18.670 10.158 6.748 1.00 1.00 C ATOM 1491 OD1 ASN A 99 19.309 11.107 7.204 1.00 1.00 O ATOM 1492 ND2 ASN A 99 17.747 9.582 7.467 1.00 1.00 N ATOM 0 H ASN A 99 17.072 8.609 4.138 1.00 1.00 H new ATOM 0 HA ASN A 99 17.633 11.290 4.829 1.00 1.00 H new ATOM 0 HB2 ASN A 99 18.718 8.589 5.269 1.00 1.00 H new ATOM 0 HB3 ASN A 99 20.000 9.772 5.095 1.00 1.00 H new ATOM 0 HD21 ASN A 99 17.552 9.917 8.410 1.00 1.00 H new ATOM 0 HD22 ASN A 99 17.220 8.796 7.086 1.00 1.00 H new ATOM 1499 N GLY A 100 19.143 10.110 2.169 1.00 1.00 N ATOM 1500 CA GLY A 100 19.957 10.489 1.019 1.00 1.00 C ATOM 1501 C GLY A 100 19.154 11.332 0.035 1.00 1.00 C ATOM 1502 O GLY A 100 19.652 12.321 -0.504 1.00 1.00 O ATOM 0 H GLY A 100 18.739 9.175 2.114 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.830 11.049 1.355 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.326 9.593 0.519 1.00 1.00 H new ATOM 1506 N ILE A 101 17.909 10.931 -0.195 1.00 1.00 N ATOM 1507 CA ILE A 101 17.036 11.647 -1.118 1.00 1.00 C ATOM 1508 C ILE A 101 16.677 13.019 -0.553 1.00 1.00 C ATOM 1509 O ILE A 101 16.600 14.003 -1.289 1.00 1.00 O ATOM 1510 CB ILE A 101 15.763 10.825 -1.360 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.148 9.494 -2.014 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.807 11.585 -2.289 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.062 8.450 -1.741 1.00 1.00 C ATOM 0 H ILE A 101 17.482 10.115 0.244 1.00 1.00 H new ATOM 0 HA ILE A 101 17.558 11.790 -2.064 1.00 1.00 H new ATOM 0 HB ILE A 101 15.264 10.648 -0.407 1.00 1.00 H new ATOM 0 HG12 ILE A 101 16.274 9.629 -3.088 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.105 9.149 -1.622 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.908 10.990 -2.452 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.535 12.536 -1.832 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.298 11.769 -3.244 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.340 7.505 -2.208 1.00 1.00 H new ATOM 0 HD12 ILE A 101 14.957 8.306 -0.666 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.114 8.794 -2.155 1.00 1.00 H new ATOM 1525 N ALA A 102 16.458 13.076 0.756 1.00 1.00 N ATOM 1526 CA ALA A 102 16.108 14.335 1.406 1.00 1.00 C ATOM 1527 C ALA A 102 17.237 15.350 1.252 1.00 1.00 C ATOM 1528 O ALA A 102 17.004 16.560 1.266 1.00 1.00 O ATOM 1529 CB ALA A 102 15.832 14.099 2.892 1.00 1.00 C ATOM 0 H ALA A 102 16.516 12.274 1.383 1.00 1.00 H new ATOM 0 HA ALA A 102 15.211 14.730 0.929 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.572 15.044 3.368 1.00 1.00 H new ATOM 0 HB2 ALA A 102 15.005 13.398 3.002 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.723 13.687 3.366 1.00 1.00 H new ATOM 1535 N LYS A 103 18.460 14.850 1.105 1.00 1.00 N ATOM 1536 CA LYS A 103 19.618 15.722 0.949 1.00 1.00 C ATOM 1537 C LYS A 103 19.691 16.271 -0.473 1.00 1.00 C ATOM 1538 O LYS A 103 19.917 17.463 -0.678 1.00 1.00 O ATOM 1539 CB LYS A 103 20.900 14.947 1.263 1.00 1.00 C ATOM 1540 CG LYS A 103 21.680 15.663 2.367 1.00 1.00 C ATOM 1541 CD LYS A 103 20.904 15.573 3.682 1.00 1.00 C ATOM 1542 CE LYS A 103 20.771 16.969 4.295 1.00 1.00 C ATOM 1543 NZ LYS A 103 20.027 16.878 5.581 1.00 1.00 N ATOM 0 H LYS A 103 18.674 13.853 1.091 1.00 1.00 H new ATOM 0 HA LYS A 103 19.516 16.556 1.643 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.655 13.932 1.577 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.514 14.863 0.366 1.00 1.00 H new ATOM 0 HG2 LYS A 103 22.665 15.211 2.482 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.838 16.707 2.097 1.00 1.00 H new ATOM 0 HD2 LYS A 103 19.917 15.147 3.505 1.00 1.00 H new ATOM 0 HD3 LYS A 103 21.419 14.908 4.375 1.00 1.00 H new ATOM 0 HE2 LYS A 103 21.758 17.399 4.463 1.00 1.00 H new ATOM 0 HE3 LYS A 103 20.248 17.632 3.606 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 19.937 17.827 5.998 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 19.080 16.484 5.407 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 20.544 16.259 6.238 1.00 1.00 H new ATOM 1557 N GLN A 104 19.499 15.392 -1.451 1.00 1.00 N ATOM 1558 CA GLN A 104 19.549 15.796 -2.851 1.00 1.00 C ATOM 1559 C GLN A 104 18.271 16.529 -3.248 1.00 1.00 C ATOM 1560 O GLN A 104 18.316 17.671 -3.705 1.00 1.00 O ATOM 1561 CB GLN A 104 19.731 14.566 -3.742 1.00 1.00 C ATOM 1562 CG GLN A 104 21.055 13.880 -3.399 1.00 1.00 C ATOM 1563 CD GLN A 104 22.177 14.458 -4.253 1.00 1.00 C ATOM 1564 OE1 GLN A 104 23.143 15.006 -3.723 1.00 1.00 O ATOM 1565 NE2 GLN A 104 22.106 14.371 -5.554 1.00 1.00 N ATOM 0 H GLN A 104 19.308 14.401 -1.301 1.00 1.00 H new ATOM 0 HA GLN A 104 20.395 16.471 -2.983 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.902 13.873 -3.598 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.722 14.859 -4.792 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.283 14.018 -2.342 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.973 12.807 -3.569 1.00 1.00 H new ATOM 0 HE21 GLN A 104 21.305 13.916 -5.992 1.00 1.00 H new ATOM 0 HE22 GLN A 104 22.852 14.758 -6.132 1.00 1.00 H new