USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.00225 (180deg=-0.602) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.00911) USER MOD Single : A 9 LYS NZ :NH3+ 145:sc= -0.0356 (180deg=-0.513) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -145:sc= -0.0751 (180deg=-0.639) USER MOD Single : A 26 HIS : no HE2:sc= -9.38! C(o=-9.4!,f=-8.8!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 0.38 (180deg=0.233) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.0415 (180deg=-0.108) USER MOD Single : A 30 HIS : no HD1:sc= -0.899 K(o=-0.9,f=-0.19) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -143:sc= 0.0023 (180deg=-0.601) USER MOD Single : B 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.00843) USER MOD Single : B 9 LYS NZ :NH3+ 141:sc= -0.0582 (180deg=-0.523) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ -145:sc= -0.0726 (180deg=-0.633) USER MOD Single : B 26 HIS : no HE2:sc= -9.35! C(o=-9.3!,f=-8.7!) USER MOD Single : B 27 LYS NZ :NH3+ -164:sc= 0.393 (180deg=0.245) USER MOD Single : B 28 LYS NZ :NH3+ -165:sc= -0.033 (180deg=-0.0981) USER MOD Single : B 30 HIS : no HD1:sc= -0.947 K(o=-0.95,f=-0.21) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 42.549 2.709 9.006 1.00 0.00 N ATOM 2 CA GLY A 1 41.979 1.679 9.920 1.00 0.00 C ATOM 3 C GLY A 1 41.535 0.464 9.103 1.00 0.00 C ATOM 4 O GLY A 1 42.264 -0.034 8.267 1.00 0.00 O ATOM 0 H1 GLY A 1 43.394 3.131 9.442 1.00 0.00 H new ATOM 0 H2 GLY A 1 42.811 2.265 8.103 1.00 0.00 H new ATOM 0 H3 GLY A 1 41.841 3.451 8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 1 42.723 1.382 10.659 1.00 0.00 H new ATOM 0 HA3 GLY A 1 41.132 2.092 10.468 1.00 0.00 H new ATOM 10 N GLU A 2 40.345 -0.018 9.336 1.00 0.00 N ATOM 11 CA GLU A 2 39.856 -1.201 8.571 1.00 0.00 C ATOM 12 C GLU A 2 38.816 -0.767 7.535 1.00 0.00 C ATOM 13 O GLU A 2 38.911 -1.097 6.370 1.00 0.00 O ATOM 14 CB GLU A 2 39.218 -2.113 9.619 1.00 0.00 C ATOM 15 CG GLU A 2 40.299 -2.984 10.263 1.00 0.00 C ATOM 16 CD GLU A 2 39.661 -3.892 11.317 1.00 0.00 C ATOM 17 OE1 GLU A 2 39.035 -3.366 12.223 1.00 0.00 O ATOM 18 OE2 GLU A 2 39.808 -5.097 11.200 1.00 0.00 O ATOM 0 H GLU A 2 39.690 0.356 10.023 1.00 0.00 H new ATOM 0 HA GLU A 2 40.657 -1.701 8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 2 38.716 -1.515 10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 2 38.458 -2.742 9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 2 40.797 -3.586 9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 2 41.062 -2.355 10.723 1.00 0.00 H new ATOM 25 N VAL A 3 37.823 -0.030 7.952 1.00 0.00 N ATOM 26 CA VAL A 3 36.776 0.425 6.992 1.00 0.00 C ATOM 27 C VAL A 3 37.374 1.390 5.964 1.00 0.00 C ATOM 28 O VAL A 3 36.825 1.597 4.900 1.00 0.00 O ATOM 29 CB VAL A 3 35.735 1.139 7.855 1.00 0.00 C ATOM 30 CG1 VAL A 3 36.371 2.359 8.525 1.00 0.00 C ATOM 31 CG2 VAL A 3 34.571 1.592 6.973 1.00 0.00 C ATOM 0 H VAL A 3 37.691 0.277 8.916 1.00 0.00 H new ATOM 0 HA VAL A 3 36.345 -0.404 6.430 1.00 0.00 H new ATOM 0 HB VAL A 3 35.370 0.456 8.622 1.00 0.00 H new ATOM 0 HG11 VAL A 3 35.627 2.866 9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 3 37.202 2.037 9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 3 36.738 3.044 7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 3 33.827 2.101 7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 3 34.939 2.274 6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 3 34.116 0.724 6.497 1.00 0.00 H new ATOM 41 N GLU A 4 38.494 1.982 6.273 1.00 0.00 N ATOM 42 CA GLU A 4 39.127 2.935 5.315 1.00 0.00 C ATOM 43 C GLU A 4 39.464 2.230 3.996 1.00 0.00 C ATOM 44 O GLU A 4 39.719 2.865 2.992 1.00 0.00 O ATOM 45 CB GLU A 4 40.407 3.400 6.008 1.00 0.00 C ATOM 46 CG GLU A 4 40.425 4.928 6.079 1.00 0.00 C ATOM 47 CD GLU A 4 41.822 5.403 6.484 1.00 0.00 C ATOM 48 OE1 GLU A 4 42.772 4.684 6.219 1.00 0.00 O ATOM 49 OE2 GLU A 4 41.919 6.478 7.052 1.00 0.00 O ATOM 0 H GLU A 4 39.000 1.848 7.148 1.00 0.00 H new ATOM 0 HA GLU A 4 38.465 3.765 5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 4 40.463 2.978 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 4 41.279 3.041 5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 4 40.151 5.351 5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 4 39.687 5.278 6.801 1.00 0.00 H new ATOM 56 N GLU A 5 39.477 0.924 3.990 1.00 0.00 N ATOM 57 CA GLU A 5 39.809 0.190 2.735 1.00 0.00 C ATOM 58 C GLU A 5 38.614 0.191 1.781 1.00 0.00 C ATOM 59 O GLU A 5 38.739 0.526 0.620 1.00 0.00 O ATOM 60 CB GLU A 5 40.133 -1.234 3.186 1.00 0.00 C ATOM 61 CG GLU A 5 41.605 -1.539 2.900 1.00 0.00 C ATOM 62 CD GLU A 5 41.823 -1.636 1.388 1.00 0.00 C ATOM 63 OE1 GLU A 5 40.856 -1.875 0.684 1.00 0.00 O ATOM 64 OE2 GLU A 5 42.954 -1.470 0.961 1.00 0.00 O ATOM 0 H GLU A 5 39.273 0.335 4.797 1.00 0.00 H new ATOM 0 HA GLU A 5 40.639 0.650 2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 5 39.928 -1.345 4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 5 39.495 -1.946 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 5 42.237 -0.757 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 5 41.893 -2.474 3.380 1.00 0.00 H new ATOM 71 N LEU A 6 37.457 -0.181 2.254 1.00 0.00 N ATOM 72 CA LEU A 6 36.268 -0.195 1.357 1.00 0.00 C ATOM 73 C LEU A 6 35.904 1.245 0.970 1.00 0.00 C ATOM 74 O LEU A 6 35.402 1.501 -0.104 1.00 0.00 O ATOM 75 CB LEU A 6 35.160 -0.916 2.169 1.00 0.00 C ATOM 76 CG LEU A 6 34.124 0.065 2.749 1.00 0.00 C ATOM 77 CD1 LEU A 6 33.158 0.503 1.646 1.00 0.00 C ATOM 78 CD2 LEU A 6 33.332 -0.627 3.862 1.00 0.00 C ATOM 0 H LEU A 6 37.284 -0.474 3.216 1.00 0.00 H new ATOM 0 HA LEU A 6 36.433 -0.716 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 6 34.654 -1.637 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 6 35.618 -1.479 2.982 1.00 0.00 H new ATOM 0 HG LEU A 6 34.641 0.936 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 6 32.426 1.197 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 6 33.715 0.995 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 6 32.644 -0.370 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 6 32.599 0.067 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 6 32.819 -1.498 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 6 34.014 -0.943 4.651 1.00 0.00 H new ATOM 90 N GLU A 7 36.172 2.182 1.838 1.00 0.00 N ATOM 91 CA GLU A 7 35.858 3.607 1.527 1.00 0.00 C ATOM 92 C GLU A 7 36.755 4.107 0.396 1.00 0.00 C ATOM 93 O GLU A 7 36.296 4.676 -0.578 1.00 0.00 O ATOM 94 CB GLU A 7 36.169 4.367 2.814 1.00 0.00 C ATOM 95 CG GLU A 7 35.573 5.774 2.733 1.00 0.00 C ATOM 96 CD GLU A 7 35.593 6.418 4.121 1.00 0.00 C ATOM 97 OE1 GLU A 7 34.842 5.971 4.971 1.00 0.00 O ATOM 98 OE2 GLU A 7 36.362 7.347 4.310 1.00 0.00 O ATOM 0 H GLU A 7 36.596 2.022 2.752 1.00 0.00 H new ATOM 0 HA GLU A 7 34.825 3.741 1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 7 35.757 3.835 3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 7 37.247 4.425 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 7 36.143 6.382 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 7 34.551 5.726 2.357 1.00 0.00 H new ATOM 105 N LYS A 8 38.036 3.904 0.524 1.00 0.00 N ATOM 106 CA LYS A 8 38.967 4.370 -0.540 1.00 0.00 C ATOM 107 C LYS A 8 38.607 3.715 -1.866 1.00 0.00 C ATOM 108 O LYS A 8 38.428 4.380 -2.861 1.00 0.00 O ATOM 109 CB LYS A 8 40.359 3.942 -0.078 1.00 0.00 C ATOM 110 CG LYS A 8 40.701 4.652 1.233 1.00 0.00 C ATOM 111 CD LYS A 8 41.550 5.891 0.934 1.00 0.00 C ATOM 112 CE LYS A 8 40.818 7.144 1.423 1.00 0.00 C ATOM 113 NZ LYS A 8 40.498 7.907 0.183 1.00 0.00 N ATOM 0 H LYS A 8 38.477 3.437 1.316 1.00 0.00 H new ATOM 0 HA LYS A 8 38.915 5.448 -0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 8 40.391 2.861 0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 8 41.098 4.187 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 8 39.787 4.940 1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 8 41.244 3.977 1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 8 42.519 5.808 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 8 41.741 5.964 -0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 8 39.913 6.884 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 8 41.443 7.729 2.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 39.852 8.689 0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 41.375 8.290 -0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 40.044 7.275 -0.506 1.00 0.00 H new ATOM 127 N LYS A 9 38.479 2.422 -1.888 1.00 0.00 N ATOM 128 CA LYS A 9 38.105 1.745 -3.159 1.00 0.00 C ATOM 129 C LYS A 9 36.750 2.279 -3.628 1.00 0.00 C ATOM 130 O LYS A 9 36.408 2.205 -4.790 1.00 0.00 O ATOM 131 CB LYS A 9 38.014 0.260 -2.808 1.00 0.00 C ATOM 132 CG LYS A 9 39.351 -0.418 -3.113 1.00 0.00 C ATOM 133 CD LYS A 9 39.098 -1.828 -3.652 1.00 0.00 C ATOM 134 CE LYS A 9 40.436 -2.533 -3.878 1.00 0.00 C ATOM 135 NZ LYS A 9 40.868 -2.975 -2.522 1.00 0.00 N ATOM 0 H LYS A 9 38.616 1.806 -1.087 1.00 0.00 H new ATOM 0 HA LYS A 9 38.822 1.918 -3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 9 37.765 0.139 -1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 9 37.216 -0.212 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 9 39.909 0.167 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 9 39.960 -0.466 -2.211 1.00 0.00 H new ATOM 0 HD2 LYS A 9 38.490 -2.395 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 9 38.539 -1.777 -4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 9 40.327 -3.381 -4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 9 41.167 -1.860 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 41.364 -3.886 -2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 41.507 -2.264 -2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 40.034 -3.084 -1.910 1.00 0.00 H new ATOM 149 N PHE A 10 35.980 2.819 -2.720 1.00 0.00 N ATOM 150 CA PHE A 10 34.642 3.367 -3.082 1.00 0.00 C ATOM 151 C PHE A 10 34.773 4.556 -4.040 1.00 0.00 C ATOM 152 O PHE A 10 34.355 4.497 -5.182 1.00 0.00 O ATOM 153 CB PHE A 10 34.049 3.831 -1.748 1.00 0.00 C ATOM 154 CG PHE A 10 32.545 3.757 -1.790 1.00 0.00 C ATOM 155 CD1 PHE A 10 31.899 2.505 -1.721 1.00 0.00 C ATOM 156 CD2 PHE A 10 31.784 4.945 -1.879 1.00 0.00 C ATOM 157 CE1 PHE A 10 30.490 2.437 -1.744 1.00 0.00 C ATOM 158 CE2 PHE A 10 30.374 4.877 -1.899 1.00 0.00 C ATOM 159 CZ PHE A 10 29.728 3.622 -1.832 1.00 0.00 C ATOM 0 H PHE A 10 36.225 2.904 -1.733 1.00 0.00 H new ATOM 0 HA PHE A 10 34.022 2.628 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 10 34.428 3.208 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 10 34.364 4.853 -1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 10 32.483 1.599 -1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 10 32.280 5.903 -1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 10 29.995 1.479 -1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 10 29.790 5.783 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 10 28.649 3.569 -1.848 1.00 0.00 H new ATOM 169 N LYS A 11 35.338 5.641 -3.583 1.00 0.00 N ATOM 170 CA LYS A 11 35.467 6.835 -4.470 1.00 0.00 C ATOM 171 C LYS A 11 36.418 6.547 -5.632 1.00 0.00 C ATOM 172 O LYS A 11 36.266 7.069 -6.720 1.00 0.00 O ATOM 173 CB LYS A 11 36.024 7.930 -3.566 1.00 0.00 C ATOM 174 CG LYS A 11 36.224 9.210 -4.379 1.00 0.00 C ATOM 175 CD LYS A 11 34.884 9.934 -4.520 1.00 0.00 C ATOM 176 CE LYS A 11 34.955 10.918 -5.690 1.00 0.00 C ATOM 177 NZ LYS A 11 33.644 11.626 -5.675 1.00 0.00 N ATOM 0 H LYS A 11 35.714 5.753 -2.641 1.00 0.00 H new ATOM 0 HA LYS A 11 34.516 7.120 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 11 35.340 8.116 -2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 11 36.971 7.611 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 11 36.950 9.857 -3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 11 36.626 8.970 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 11 34.084 9.212 -4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 11 34.647 10.465 -3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 11 35.783 11.617 -5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 11 35.112 10.398 -6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.615 12.319 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.876 10.936 -5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.525 12.117 -4.766 1.00 0.00 H new ATOM 191 N GLU A 12 37.390 5.714 -5.412 1.00 0.00 N ATOM 192 CA GLU A 12 38.348 5.384 -6.502 1.00 0.00 C ATOM 193 C GLU A 12 37.671 4.479 -7.529 1.00 0.00 C ATOM 194 O GLU A 12 38.088 4.395 -8.667 1.00 0.00 O ATOM 195 CB GLU A 12 39.498 4.649 -5.814 1.00 0.00 C ATOM 196 CG GLU A 12 40.613 5.643 -5.483 1.00 0.00 C ATOM 197 CD GLU A 12 41.969 4.944 -5.592 1.00 0.00 C ATOM 198 OE1 GLU A 12 42.214 4.044 -4.806 1.00 0.00 O ATOM 199 OE2 GLU A 12 42.739 5.319 -6.461 1.00 0.00 O ATOM 0 H GLU A 12 37.565 5.245 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 12 38.696 6.270 -7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 12 39.143 4.168 -4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 12 39.880 3.861 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 12 40.573 6.491 -6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 12 40.475 6.038 -4.476 1.00 0.00 H new ATOM 206 N LEU A 13 36.624 3.802 -7.141 1.00 0.00 N ATOM 207 CA LEU A 13 35.928 2.912 -8.107 1.00 0.00 C ATOM 208 C LEU A 13 35.036 3.746 -9.026 1.00 0.00 C ATOM 209 O LEU A 13 34.963 3.510 -10.216 1.00 0.00 O ATOM 210 CB LEU A 13 35.099 1.958 -7.250 1.00 0.00 C ATOM 211 CG LEU A 13 35.901 0.676 -7.015 1.00 0.00 C ATOM 212 CD1 LEU A 13 35.311 -0.090 -5.832 1.00 0.00 C ATOM 213 CD2 LEU A 13 35.839 -0.200 -8.268 1.00 0.00 C ATOM 0 H LEU A 13 36.224 3.828 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 13 36.620 2.366 -8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 13 34.850 2.427 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 13 34.157 1.727 -7.747 1.00 0.00 H new ATOM 0 HG LEU A 13 36.938 0.934 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 13 35.884 -1.002 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 13 35.354 0.532 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 13 34.274 -0.347 -6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 13 36.410 -1.114 -8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 13 34.801 -0.455 -8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 13 36.262 0.343 -9.113 1.00 0.00 H new ATOM 225 N TRP A 14 34.368 4.733 -8.491 1.00 0.00 N ATOM 226 CA TRP A 14 33.498 5.586 -9.353 1.00 0.00 C ATOM 227 C TRP A 14 34.355 6.327 -10.373 1.00 0.00 C ATOM 228 O TRP A 14 34.061 6.353 -11.552 1.00 0.00 O ATOM 229 CB TRP A 14 32.838 6.583 -8.405 1.00 0.00 C ATOM 230 CG TRP A 14 31.407 6.215 -8.226 1.00 0.00 C ATOM 231 CD1 TRP A 14 30.406 6.456 -9.111 1.00 0.00 C ATOM 232 CD2 TRP A 14 30.804 5.536 -7.105 1.00 0.00 C ATOM 233 NE1 TRP A 14 29.226 5.961 -8.594 1.00 0.00 N ATOM 234 CE2 TRP A 14 29.418 5.383 -7.361 1.00 0.00 C ATOM 235 CE3 TRP A 14 31.323 5.036 -5.891 1.00 0.00 C ATOM 236 CZ2 TRP A 14 28.576 4.755 -6.440 1.00 0.00 C ATOM 237 CZ3 TRP A 14 30.484 4.402 -4.961 1.00 0.00 C ATOM 238 CH2 TRP A 14 29.111 4.258 -5.231 1.00 0.00 C ATOM 0 H TRP A 14 34.386 4.984 -7.503 1.00 0.00 H new ATOM 0 HA TRP A 14 32.761 4.999 -9.901 1.00 0.00 H new ATOM 0 HB2 TRP A 14 33.349 6.581 -7.442 1.00 0.00 H new ATOM 0 HB3 TRP A 14 32.919 7.593 -8.807 1.00 0.00 H new ATOM 0 HD1 TRP A 14 30.515 6.953 -10.063 1.00 0.00 H new ATOM 0 HE1 TRP A 14 28.324 6.017 -9.067 1.00 0.00 H new ATOM 0 HE3 TRP A 14 32.376 5.142 -5.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 27.522 4.650 -6.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 30.894 4.024 -4.036 1.00 0.00 H new ATOM 0 HH2 TRP A 14 28.467 3.768 -4.515 1.00 0.00 H new ATOM 249 N LYS A 15 35.415 6.932 -9.921 1.00 0.00 N ATOM 250 CA LYS A 15 36.301 7.678 -10.850 1.00 0.00 C ATOM 251 C LYS A 15 37.550 6.847 -11.156 1.00 0.00 C ATOM 252 O LYS A 15 38.628 7.112 -10.662 1.00 0.00 O ATOM 253 CB LYS A 15 36.649 8.954 -10.089 1.00 0.00 C ATOM 254 CG LYS A 15 37.625 9.799 -10.913 1.00 0.00 C ATOM 255 CD LYS A 15 36.856 10.549 -12.002 1.00 0.00 C ATOM 256 CE LYS A 15 37.339 12.000 -12.059 1.00 0.00 C ATOM 257 NZ LYS A 15 36.825 12.623 -10.807 1.00 0.00 N ATOM 0 H LYS A 15 35.706 6.941 -8.944 1.00 0.00 H new ATOM 0 HA LYS A 15 35.836 7.895 -11.812 1.00 0.00 H new ATOM 0 HB2 LYS A 15 35.743 9.525 -9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 15 37.094 8.704 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 15 38.145 10.506 -10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 15 38.385 9.160 -11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 15 37.007 10.066 -12.967 1.00 0.00 H new ATOM 0 HD3 LYS A 15 35.786 10.518 -11.794 1.00 0.00 H new ATOM 0 HE2 LYS A 15 38.427 12.053 -12.109 1.00 0.00 H new ATOM 0 HE3 LYS A 15 36.954 12.511 -12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 36.568 13.614 -10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 35.986 12.103 -10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 37.562 12.588 -10.074 1.00 0.00 H new ATOM 271 N GLY A 16 37.401 5.834 -11.965 1.00 0.00 N ATOM 272 CA GLY A 16 38.560 4.964 -12.311 1.00 0.00 C ATOM 273 C GLY A 16 38.049 3.740 -13.082 1.00 0.00 C ATOM 274 O GLY A 16 37.901 3.786 -14.287 1.00 0.00 O ATOM 0 H GLY A 16 36.519 5.570 -12.404 1.00 0.00 H new ATOM 0 HA2 GLY A 16 39.279 5.517 -12.915 1.00 0.00 H new ATOM 0 HA3 GLY A 16 39.079 4.650 -11.406 1.00 0.00 H new ATOM 278 N PRO A 17 37.786 2.684 -12.355 1.00 0.00 N ATOM 279 CA PRO A 17 37.276 1.440 -12.979 1.00 0.00 C ATOM 280 C PRO A 17 35.787 1.602 -13.307 1.00 0.00 C ATOM 281 O PRO A 17 35.289 2.705 -13.415 1.00 0.00 O ATOM 282 CB PRO A 17 37.493 0.384 -11.897 1.00 0.00 C ATOM 283 CG PRO A 17 37.497 1.139 -10.604 1.00 0.00 C ATOM 284 CD PRO A 17 37.940 2.551 -10.901 1.00 0.00 C ATOM 0 HA PRO A 17 37.772 1.181 -13.915 1.00 0.00 H new ATOM 0 HB2 PRO A 17 36.701 -0.364 -11.913 1.00 0.00 H new ATOM 0 HB3 PRO A 17 38.434 -0.145 -12.047 1.00 0.00 H new ATOM 0 HG2 PRO A 17 36.503 1.136 -10.156 1.00 0.00 H new ATOM 0 HG3 PRO A 17 38.171 0.669 -9.888 1.00 0.00 H new ATOM 0 HD2 PRO A 17 37.329 3.280 -10.368 1.00 0.00 H new ATOM 0 HD3 PRO A 17 38.973 2.716 -10.594 1.00 0.00 H new ATOM 292 N ARG A 18 35.070 0.518 -13.467 1.00 0.00 N ATOM 293 CA ARG A 18 33.612 0.621 -13.785 1.00 0.00 C ATOM 294 C ARG A 18 32.927 1.618 -12.837 1.00 0.00 C ATOM 295 O ARG A 18 33.518 2.087 -11.884 1.00 0.00 O ATOM 296 CB ARG A 18 33.060 -0.810 -13.608 1.00 0.00 C ATOM 297 CG ARG A 18 32.759 -1.119 -12.130 1.00 0.00 C ATOM 298 CD ARG A 18 34.059 -1.145 -11.324 1.00 0.00 C ATOM 299 NE ARG A 18 34.895 -2.206 -11.963 1.00 0.00 N ATOM 300 CZ ARG A 18 34.488 -3.448 -11.969 1.00 0.00 C ATOM 301 NH1 ARG A 18 33.799 -3.916 -10.964 1.00 0.00 N ATOM 302 NH2 ARG A 18 34.771 -4.222 -12.981 1.00 0.00 N ATOM 0 H ARG A 18 35.430 -0.433 -13.391 1.00 0.00 H new ATOM 0 HA ARG A 18 33.429 0.992 -14.794 1.00 0.00 H new ATOM 0 HB2 ARG A 18 32.151 -0.926 -14.198 1.00 0.00 H new ATOM 0 HB3 ARG A 18 33.783 -1.530 -13.992 1.00 0.00 H new ATOM 0 HG2 ARG A 18 32.084 -0.366 -11.723 1.00 0.00 H new ATOM 0 HG3 ARG A 18 32.251 -2.080 -12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 18 34.560 -0.178 -11.354 1.00 0.00 H new ATOM 0 HD3 ARG A 18 33.868 -1.373 -10.275 1.00 0.00 H new ATOM 0 HE ARG A 18 35.785 -1.960 -12.396 1.00 0.00 H new ATOM 0 HH11 ARG A 18 33.577 -3.312 -10.172 1.00 0.00 H new ATOM 0 HH12 ARG A 18 33.482 -4.886 -10.970 1.00 0.00 H new ATOM 0 HH21 ARG A 18 35.310 -3.858 -13.767 1.00 0.00 H new ATOM 0 HH22 ARG A 18 34.454 -5.191 -12.986 1.00 0.00 H new ATOM 316 N ARG A 19 31.690 1.944 -13.087 1.00 0.00 N ATOM 317 CA ARG A 19 30.989 2.907 -12.193 1.00 0.00 C ATOM 318 C ARG A 19 29.546 2.457 -11.941 1.00 0.00 C ATOM 319 O ARG A 19 29.055 2.512 -10.832 1.00 0.00 O ATOM 320 CB ARG A 19 31.011 4.235 -12.951 1.00 0.00 C ATOM 321 CG ARG A 19 30.460 5.344 -12.054 1.00 0.00 C ATOM 322 CD ARG A 19 30.328 6.636 -12.864 1.00 0.00 C ATOM 323 NE ARG A 19 28.980 6.557 -13.494 1.00 0.00 N ATOM 324 CZ ARG A 19 28.789 7.045 -14.689 1.00 0.00 C ATOM 325 NH1 ARG A 19 28.437 8.294 -14.835 1.00 0.00 N ATOM 326 NH2 ARG A 19 28.950 6.286 -15.738 1.00 0.00 N ATOM 0 H ARG A 19 31.137 1.588 -13.867 1.00 0.00 H new ATOM 0 HA ARG A 19 31.468 2.982 -11.217 1.00 0.00 H new ATOM 0 HB2 ARG A 19 32.029 4.474 -13.258 1.00 0.00 H new ATOM 0 HB3 ARG A 19 30.414 4.157 -13.860 1.00 0.00 H new ATOM 0 HG2 ARG A 19 29.489 5.053 -11.652 1.00 0.00 H new ATOM 0 HG3 ARG A 19 31.123 5.502 -11.203 1.00 0.00 H new ATOM 0 HD2 ARG A 19 30.414 7.514 -12.224 1.00 0.00 H new ATOM 0 HD3 ARG A 19 31.112 6.712 -13.617 1.00 0.00 H new ATOM 0 HE ARG A 19 28.207 6.122 -12.991 1.00 0.00 H new ATOM 0 HH11 ARG A 19 28.311 8.888 -14.015 1.00 0.00 H new ATOM 0 HH12 ARG A 19 28.288 8.676 -15.769 1.00 0.00 H new ATOM 0 HH21 ARG A 19 29.225 5.310 -15.624 1.00 0.00 H new ATOM 0 HH22 ARG A 19 28.800 6.668 -16.672 1.00 0.00 H new ATOM 340 N GLY A 20 28.863 2.017 -12.962 1.00 0.00 N ATOM 341 CA GLY A 20 27.452 1.571 -12.778 1.00 0.00 C ATOM 342 C GLY A 20 27.408 0.382 -11.815 1.00 0.00 C ATOM 343 O GLY A 20 26.504 0.253 -11.014 1.00 0.00 O ATOM 0 H GLY A 20 29.220 1.947 -13.915 1.00 0.00 H new ATOM 0 HA2 GLY A 20 26.849 2.391 -12.387 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.021 1.289 -13.739 1.00 0.00 H new ATOM 347 N GLU A 21 28.376 -0.491 -11.888 1.00 0.00 N ATOM 348 CA GLU A 21 28.384 -1.672 -10.977 1.00 0.00 C ATOM 349 C GLU A 21 28.669 -1.235 -9.537 1.00 0.00 C ATOM 350 O GLU A 21 28.190 -1.829 -8.591 1.00 0.00 O ATOM 351 CB GLU A 21 29.510 -2.564 -11.499 1.00 0.00 C ATOM 352 CG GLU A 21 28.918 -3.687 -12.353 1.00 0.00 C ATOM 353 CD GLU A 21 29.963 -4.166 -13.362 1.00 0.00 C ATOM 354 OE1 GLU A 21 30.584 -3.322 -13.988 1.00 0.00 O ATOM 355 OE2 GLU A 21 30.125 -5.368 -13.492 1.00 0.00 O ATOM 0 H GLU A 21 29.160 -0.438 -12.538 1.00 0.00 H new ATOM 0 HA GLU A 21 27.424 -2.188 -10.964 1.00 0.00 H new ATOM 0 HB2 GLU A 21 30.211 -1.974 -12.090 1.00 0.00 H new ATOM 0 HB3 GLU A 21 30.071 -2.985 -10.665 1.00 0.00 H new ATOM 0 HG2 GLU A 21 28.605 -4.515 -11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 21 28.029 -3.332 -12.875 1.00 0.00 H new ATOM 362 N ILE A 22 29.446 -0.202 -9.363 1.00 0.00 N ATOM 363 CA ILE A 22 29.761 0.271 -7.984 1.00 0.00 C ATOM 364 C ILE A 22 28.516 0.875 -7.337 1.00 0.00 C ATOM 365 O ILE A 22 28.081 0.450 -6.285 1.00 0.00 O ATOM 366 CB ILE A 22 30.838 1.338 -8.167 1.00 0.00 C ATOM 367 CG1 ILE A 22 32.045 0.723 -8.875 1.00 0.00 C ATOM 368 CG2 ILE A 22 31.262 1.876 -6.799 1.00 0.00 C ATOM 369 CD1 ILE A 22 32.639 -0.389 -8.007 1.00 0.00 C ATOM 0 H ILE A 22 29.877 0.336 -10.115 1.00 0.00 H new ATOM 0 HA ILE A 22 30.096 -0.539 -7.336 1.00 0.00 H new ATOM 0 HB ILE A 22 30.443 2.157 -8.769 1.00 0.00 H new ATOM 0 HG12 ILE A 22 31.746 0.322 -9.843 1.00 0.00 H new ATOM 0 HG13 ILE A 22 32.796 1.489 -9.066 1.00 0.00 H new ATOM 0 HG21 ILE A 22 32.031 2.638 -6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 22 30.399 2.314 -6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 22 31.658 1.060 -6.194 1.00 0.00 H new ATOM 0 HD11 ILE A 22 33.499 -0.826 -8.514 1.00 0.00 H new ATOM 0 HD12 ILE A 22 32.954 0.026 -7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 22 31.887 -1.160 -7.839 1.00 0.00 H new ATOM 381 N GLU A 23 27.937 1.863 -7.959 1.00 0.00 N ATOM 382 CA GLU A 23 26.722 2.490 -7.383 1.00 0.00 C ATOM 383 C GLU A 23 25.639 1.431 -7.183 1.00 0.00 C ATOM 384 O GLU A 23 24.847 1.505 -6.262 1.00 0.00 O ATOM 385 CB GLU A 23 26.322 3.550 -8.413 1.00 0.00 C ATOM 386 CG GLU A 23 25.085 4.302 -7.939 1.00 0.00 C ATOM 387 CD GLU A 23 23.911 4.001 -8.873 1.00 0.00 C ATOM 388 OE1 GLU A 23 24.007 4.342 -10.041 1.00 0.00 O ATOM 389 OE2 GLU A 23 22.938 3.434 -8.406 1.00 0.00 O ATOM 0 H GLU A 23 28.255 2.262 -8.842 1.00 0.00 H new ATOM 0 HA GLU A 23 26.881 2.937 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 23 27.145 4.248 -8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 23 26.123 3.077 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 23 24.836 4.007 -6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 23 25.283 5.374 -7.921 1.00 0.00 H new ATOM 396 N GLU A 24 25.619 0.422 -8.009 1.00 0.00 N ATOM 397 CA GLU A 24 24.610 -0.654 -7.822 1.00 0.00 C ATOM 398 C GLU A 24 24.889 -1.341 -6.486 1.00 0.00 C ATOM 399 O GLU A 24 23.991 -1.667 -5.729 1.00 0.00 O ATOM 400 CB GLU A 24 24.828 -1.618 -8.990 1.00 0.00 C ATOM 401 CG GLU A 24 23.968 -2.869 -8.791 1.00 0.00 C ATOM 402 CD GLU A 24 23.164 -3.144 -10.063 1.00 0.00 C ATOM 403 OE1 GLU A 24 22.343 -2.311 -10.412 1.00 0.00 O ATOM 404 OE2 GLU A 24 23.383 -4.181 -10.666 1.00 0.00 O ATOM 0 H GLU A 24 26.253 0.297 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 24 23.583 -0.290 -7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 24 24.568 -1.131 -9.930 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.880 -1.894 -9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 24 24.601 -3.725 -8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 24 23.294 -2.729 -7.946 1.00 0.00 H new ATOM 411 N LEU A 25 26.143 -1.541 -6.187 1.00 0.00 N ATOM 412 CA LEU A 25 26.510 -2.184 -4.898 1.00 0.00 C ATOM 413 C LEU A 25 26.049 -1.309 -3.736 1.00 0.00 C ATOM 414 O LEU A 25 25.614 -1.802 -2.722 1.00 0.00 O ATOM 415 CB LEU A 25 28.038 -2.282 -4.901 1.00 0.00 C ATOM 416 CG LEU A 25 28.478 -3.690 -4.467 1.00 0.00 C ATOM 417 CD1 LEU A 25 29.985 -3.689 -4.203 1.00 0.00 C ATOM 418 CD2 LEU A 25 27.748 -4.104 -3.184 1.00 0.00 C ATOM 0 H LEU A 25 26.930 -1.285 -6.783 1.00 0.00 H new ATOM 0 HA LEU A 25 26.044 -3.163 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 25 28.422 -2.063 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 25 28.459 -1.537 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 25 28.235 -4.396 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 25 30.301 -4.686 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 25 30.514 -3.406 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 25 30.215 -2.975 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 25 28.069 -5.103 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 25 27.982 -3.397 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 25 26.673 -4.107 -3.362 1.00 0.00 H new ATOM 430 N HIS A 26 26.140 -0.012 -3.874 1.00 0.00 N ATOM 431 CA HIS A 26 25.696 0.882 -2.766 1.00 0.00 C ATOM 432 C HIS A 26 24.222 0.618 -2.457 1.00 0.00 C ATOM 433 O HIS A 26 23.835 0.475 -1.316 1.00 0.00 O ATOM 434 CB HIS A 26 25.904 2.306 -3.282 1.00 0.00 C ATOM 435 CG HIS A 26 25.349 3.287 -2.284 1.00 0.00 C ATOM 436 ND1 HIS A 26 26.001 3.597 -1.100 1.00 0.00 N ATOM 437 CD2 HIS A 26 24.200 4.033 -2.284 1.00 0.00 C ATOM 438 CE1 HIS A 26 25.243 4.497 -0.444 1.00 0.00 C ATOM 439 NE2 HIS A 26 24.133 4.797 -1.124 1.00 0.00 N ATOM 0 H HIS A 26 26.500 0.464 -4.701 1.00 0.00 H new ATOM 0 HA HIS A 26 26.253 0.715 -1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 26 26.966 2.495 -3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 26 25.409 2.431 -4.245 1.00 0.00 H new ATOM 0 HD1 HIS A 26 26.892 3.214 -0.784 1.00 0.00 H new ATOM 0 HD2 HIS A 26 23.457 4.028 -3.068 1.00 0.00 H new ATOM 0 HE1 HIS A 26 25.501 4.924 0.514 1.00 0.00 H new ATOM 447 N LYS A 27 23.395 0.535 -3.464 1.00 0.00 N ATOM 448 CA LYS A 27 21.953 0.260 -3.207 1.00 0.00 C ATOM 449 C LYS A 27 21.824 -1.023 -2.380 1.00 0.00 C ATOM 450 O LYS A 27 21.104 -1.080 -1.401 1.00 0.00 O ATOM 451 CB LYS A 27 21.326 0.077 -4.589 1.00 0.00 C ATOM 452 CG LYS A 27 20.271 1.162 -4.816 1.00 0.00 C ATOM 453 CD LYS A 27 20.820 2.211 -5.786 1.00 0.00 C ATOM 454 CE LYS A 27 20.392 1.860 -7.212 1.00 0.00 C ATOM 455 NZ LYS A 27 20.066 3.169 -7.845 1.00 0.00 N ATOM 0 H LYS A 27 23.653 0.645 -4.445 1.00 0.00 H new ATOM 0 HA LYS A 27 21.463 1.060 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 27 22.095 0.135 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 27 20.871 -0.910 -4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 27 19.360 0.720 -5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 27 20.006 1.631 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.450 3.200 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 27 21.907 2.249 -5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 27 21.190 1.348 -7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.529 1.194 -7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.545 3.006 -8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.479 3.732 -7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.946 3.684 -8.051 1.00 0.00 H new ATOM 469 N LYS A 28 22.535 -2.050 -2.761 1.00 0.00 N ATOM 470 CA LYS A 28 22.468 -3.323 -1.990 1.00 0.00 C ATOM 471 C LYS A 28 22.853 -3.063 -0.530 1.00 0.00 C ATOM 472 O LYS A 28 22.222 -3.552 0.384 1.00 0.00 O ATOM 473 CB LYS A 28 23.488 -4.245 -2.659 1.00 0.00 C ATOM 474 CG LYS A 28 22.755 -5.353 -3.418 1.00 0.00 C ATOM 475 CD LYS A 28 22.814 -5.068 -4.921 1.00 0.00 C ATOM 476 CE LYS A 28 23.362 -6.295 -5.654 1.00 0.00 C ATOM 477 NZ LYS A 28 24.587 -5.809 -6.351 1.00 0.00 N ATOM 0 H LYS A 28 23.157 -2.062 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 28 21.469 -3.760 -1.988 1.00 0.00 H new ATOM 0 HB2 LYS A 28 24.115 -3.674 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.148 -4.679 -1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 28 23.211 -6.319 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 28 21.718 -5.409 -3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 28 21.820 -4.823 -5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.449 -4.203 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 28 23.597 -7.100 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 28 22.634 -6.690 -6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 24.848 -6.479 -7.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 24.401 -4.875 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 25.368 -5.734 -5.668 1.00 0.00 H new ATOM 491 N PHE A 29 23.882 -2.286 -0.312 1.00 0.00 N ATOM 492 CA PHE A 29 24.317 -1.976 1.079 1.00 0.00 C ATOM 493 C PHE A 29 23.160 -1.360 1.859 1.00 0.00 C ATOM 494 O PHE A 29 23.012 -1.584 3.043 1.00 0.00 O ATOM 495 CB PHE A 29 25.468 -0.976 0.922 1.00 0.00 C ATOM 496 CG PHE A 29 26.691 -1.637 0.297 1.00 0.00 C ATOM 497 CD1 PHE A 29 26.832 -3.051 0.266 1.00 0.00 C ATOM 498 CD2 PHE A 29 27.709 -0.823 -0.253 1.00 0.00 C ATOM 499 CE1 PHE A 29 27.980 -3.636 -0.311 1.00 0.00 C ATOM 500 CE2 PHE A 29 28.856 -1.414 -0.831 1.00 0.00 C ATOM 501 CZ PHE A 29 28.990 -2.818 -0.859 1.00 0.00 C ATOM 0 H PHE A 29 24.443 -1.851 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 29 24.631 -2.864 1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 29 25.145 -0.141 0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.732 -0.565 1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 29 26.060 -3.679 0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 29 27.610 0.252 -0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 29 28.085 -4.711 -0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 29 29.631 -0.790 -1.252 1.00 0.00 H new ATOM 0 HZ PHE A 29 29.867 -3.267 -1.301 1.00 0.00 H new ATOM 511 N HIS A 30 22.325 -0.600 1.207 1.00 0.00 N ATOM 512 CA HIS A 30 21.169 -0.001 1.925 1.00 0.00 C ATOM 513 C HIS A 30 20.235 -1.127 2.359 1.00 0.00 C ATOM 514 O HIS A 30 19.704 -1.125 3.451 1.00 0.00 O ATOM 515 CB HIS A 30 20.493 0.918 0.908 1.00 0.00 C ATOM 516 CG HIS A 30 19.233 1.483 1.504 1.00 0.00 C ATOM 517 ND1 HIS A 30 19.130 2.810 1.891 1.00 0.00 N ATOM 518 CD2 HIS A 30 18.016 0.915 1.788 1.00 0.00 C ATOM 519 CE1 HIS A 30 17.890 2.995 2.381 1.00 0.00 C ATOM 520 NE2 HIS A 30 17.170 1.871 2.342 1.00 0.00 N ATOM 0 H HIS A 30 22.393 -0.370 0.216 1.00 0.00 H new ATOM 0 HA HIS A 30 21.455 0.556 2.817 1.00 0.00 H new ATOM 0 HB2 HIS A 30 21.169 1.725 0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.261 0.364 -0.002 1.00 0.00 H new ATOM 0 HD2 HIS A 30 17.755 -0.117 1.609 1.00 0.00 H new ATOM 0 HE1 HIS A 30 17.522 3.937 2.759 1.00 0.00 H new ATOM 0 HE2 HIS A 30 16.207 1.741 2.652 1.00 0.00 H new ATOM 528 N GLU A 31 20.062 -2.110 1.519 1.00 0.00 N ATOM 529 CA GLU A 31 19.199 -3.266 1.892 1.00 0.00 C ATOM 530 C GLU A 31 20.045 -4.314 2.635 1.00 0.00 C ATOM 531 O GLU A 31 19.555 -5.346 3.049 1.00 0.00 O ATOM 532 CB GLU A 31 18.688 -3.826 0.564 1.00 0.00 C ATOM 533 CG GLU A 31 17.160 -3.772 0.542 1.00 0.00 C ATOM 534 CD GLU A 31 16.680 -3.473 -0.879 1.00 0.00 C ATOM 535 OE1 GLU A 31 17.117 -2.478 -1.434 1.00 0.00 O ATOM 536 OE2 GLU A 31 15.883 -4.243 -1.389 1.00 0.00 O ATOM 0 H GLU A 31 20.481 -2.163 0.590 1.00 0.00 H new ATOM 0 HA GLU A 31 18.377 -2.985 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 31 19.095 -3.249 -0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.028 -4.854 0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.747 -4.721 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.803 -3.003 1.227 1.00 0.00 H new ATOM 543 N LEU A 32 21.318 -4.045 2.805 1.00 0.00 N ATOM 544 CA LEU A 32 22.217 -4.999 3.515 1.00 0.00 C ATOM 545 C LEU A 32 22.269 -4.650 5.002 1.00 0.00 C ATOM 546 O LEU A 32 22.449 -5.504 5.847 1.00 0.00 O ATOM 547 CB LEU A 32 23.592 -4.758 2.877 1.00 0.00 C ATOM 548 CG LEU A 32 24.516 -5.966 3.077 1.00 0.00 C ATOM 549 CD1 LEU A 32 25.847 -5.689 2.374 1.00 0.00 C ATOM 550 CD2 LEU A 32 24.785 -6.191 4.566 1.00 0.00 C ATOM 0 H LEU A 32 21.774 -3.194 2.477 1.00 0.00 H new ATOM 0 HA LEU A 32 21.887 -6.035 3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 32 23.472 -4.561 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 32 24.049 -3.871 3.316 1.00 0.00 H new ATOM 0 HG LEU A 32 24.037 -6.853 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 32 26.514 -6.541 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 32 25.671 -5.531 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 32 26.306 -4.798 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 32 25.442 -7.052 4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 32 25.262 -5.306 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 32 23.843 -6.376 5.082 1.00 0.00 H new ATOM 562 N ILE A 33 22.143 -3.390 5.329 1.00 0.00 N ATOM 563 CA ILE A 33 22.224 -2.988 6.764 1.00 0.00 C ATOM 564 C ILE A 33 20.942 -2.265 7.203 1.00 0.00 C ATOM 565 O ILE A 33 20.684 -2.098 8.378 1.00 0.00 O ATOM 566 CB ILE A 33 23.447 -2.055 6.844 1.00 0.00 C ATOM 567 CG1 ILE A 33 23.132 -0.722 6.152 1.00 0.00 C ATOM 568 CG2 ILE A 33 24.653 -2.719 6.159 1.00 0.00 C ATOM 569 CD1 ILE A 33 24.323 0.227 6.282 1.00 0.00 C ATOM 0 H ILE A 33 21.989 -2.627 4.670 1.00 0.00 H new ATOM 0 HA ILE A 33 22.325 -3.847 7.428 1.00 0.00 H new ATOM 0 HB ILE A 33 23.684 -1.868 7.891 1.00 0.00 H new ATOM 0 HG12 ILE A 33 22.906 -0.893 5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 33 22.246 -0.271 6.599 1.00 0.00 H new ATOM 0 HG21 ILE A 33 25.516 -2.055 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 33 24.884 -3.659 6.660 1.00 0.00 H new ATOM 0 HG23 ILE A 33 24.416 -2.913 5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 33 24.092 1.171 5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 33 24.529 0.410 7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 33 25.199 -0.222 5.814 1.00 0.00 H new ATOM 581 N LYS A 34 20.140 -1.833 6.267 1.00 0.00 N ATOM 582 CA LYS A 34 18.880 -1.121 6.629 1.00 0.00 C ATOM 583 C LYS A 34 19.186 0.059 7.556 1.00 0.00 C ATOM 584 O LYS A 34 18.936 0.009 8.744 1.00 0.00 O ATOM 585 CB LYS A 34 18.026 -2.163 7.351 1.00 0.00 C ATOM 586 CG LYS A 34 16.987 -2.729 6.380 1.00 0.00 C ATOM 587 CD LYS A 34 15.696 -1.913 6.480 1.00 0.00 C ATOM 588 CE LYS A 34 14.580 -2.630 5.717 1.00 0.00 C ATOM 589 NZ LYS A 34 13.377 -2.499 6.587 1.00 0.00 N ATOM 0 H LYS A 34 20.303 -1.943 5.266 1.00 0.00 H new ATOM 0 HA LYS A 34 18.372 -0.714 5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.657 -2.965 7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.529 -1.711 8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.371 -2.698 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.788 -3.775 6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.413 -1.786 7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.850 -0.916 6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.413 -2.175 4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.830 -3.677 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.567 -2.967 6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.563 -2.947 7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.160 -1.492 6.730 1.00 0.00 H new ATOM 603 N GLY A 35 19.723 1.122 7.021 1.00 0.00 N ATOM 604 CA GLY A 35 20.042 2.303 7.870 1.00 0.00 C ATOM 605 C GLY A 35 19.036 3.421 7.584 1.00 0.00 C ATOM 606 O GLY A 35 17.848 3.152 7.650 1.00 0.00 O ATOM 607 OXT GLY A 35 19.471 4.525 7.304 1.00 0.00 O ATOM 0 H GLY A 35 19.954 1.223 6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.006 2.027 8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.055 2.649 7.665 1.00 0.00 H new TER 611 GLY A 35 ATOM 612 N GLY B 1 36.515 -9.482 -8.757 1.00 0.00 N ATOM 613 CA GLY B 1 36.808 -8.333 -9.659 1.00 0.00 C ATOM 614 C GLY B 1 37.448 -7.202 -8.852 1.00 0.00 C ATOM 615 O GLY B 1 38.368 -7.416 -8.087 1.00 0.00 O ATOM 0 H1 GLY B 1 36.688 -10.374 -9.263 1.00 0.00 H new ATOM 0 H2 GLY B 1 37.131 -9.433 -7.921 1.00 0.00 H new ATOM 0 H3 GLY B 1 35.520 -9.442 -8.456 1.00 0.00 H new ATOM 0 HA2 GLY B 1 37.478 -8.647 -10.460 1.00 0.00 H new ATOM 0 HA3 GLY B 1 35.889 -7.983 -10.130 1.00 0.00 H new ATOM 621 N GLU B 2 36.969 -6.000 -9.015 1.00 0.00 N ATOM 622 CA GLU B 2 37.551 -4.856 -8.256 1.00 0.00 C ATOM 623 C GLU B 2 36.602 -4.428 -7.133 1.00 0.00 C ATOM 624 O GLU B 2 36.993 -4.303 -5.990 1.00 0.00 O ATOM 625 CB GLU B 2 37.704 -3.735 -9.284 1.00 0.00 C ATOM 626 CG GLU B 2 39.029 -3.904 -10.031 1.00 0.00 C ATOM 627 CD GLU B 2 39.179 -2.785 -11.064 1.00 0.00 C ATOM 628 OE1 GLU B 2 38.305 -2.662 -11.906 1.00 0.00 O ATOM 629 OE2 GLU B 2 40.166 -2.071 -10.996 1.00 0.00 O ATOM 0 H GLU B 2 36.200 -5.760 -9.641 1.00 0.00 H new ATOM 0 HA GLU B 2 38.501 -5.113 -7.788 1.00 0.00 H new ATOM 0 HB2 GLU B 2 36.872 -3.757 -9.988 1.00 0.00 H new ATOM 0 HB3 GLU B 2 37.676 -2.765 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU B 2 39.861 -3.878 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU B 2 39.059 -4.875 -10.525 1.00 0.00 H new ATOM 636 N VAL B 3 35.358 -4.202 -7.453 1.00 0.00 N ATOM 637 CA VAL B 3 34.382 -3.780 -6.406 1.00 0.00 C ATOM 638 C VAL B 3 34.164 -4.909 -5.393 1.00 0.00 C ATOM 639 O VAL B 3 33.719 -4.684 -4.285 1.00 0.00 O ATOM 640 CB VAL B 3 33.090 -3.486 -7.167 1.00 0.00 C ATOM 641 CG1 VAL B 3 32.588 -4.764 -7.844 1.00 0.00 C ATOM 642 CG2 VAL B 3 32.031 -2.980 -6.188 1.00 0.00 C ATOM 0 H VAL B 3 34.974 -4.291 -8.394 1.00 0.00 H new ATOM 0 HA VAL B 3 34.731 -2.915 -5.843 1.00 0.00 H new ATOM 0 HB VAL B 3 33.281 -2.727 -7.926 1.00 0.00 H new ATOM 0 HG11 VAL B 3 31.667 -4.551 -8.386 1.00 0.00 H new ATOM 0 HG12 VAL B 3 33.343 -5.127 -8.541 1.00 0.00 H new ATOM 0 HG13 VAL B 3 32.396 -5.525 -7.088 1.00 0.00 H new ATOM 0 HG21 VAL B 3 31.108 -2.769 -6.728 1.00 0.00 H new ATOM 0 HG22 VAL B 3 31.843 -3.741 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL B 3 32.386 -2.069 -5.707 1.00 0.00 H new ATOM 652 N GLU B 4 34.474 -6.120 -5.764 1.00 0.00 N ATOM 653 CA GLU B 4 34.283 -7.263 -4.824 1.00 0.00 C ATOM 654 C GLU B 4 35.122 -7.066 -3.557 1.00 0.00 C ATOM 655 O GLU B 4 34.906 -7.717 -2.554 1.00 0.00 O ATOM 656 CB GLU B 4 34.769 -8.491 -5.594 1.00 0.00 C ATOM 657 CG GLU B 4 33.664 -9.549 -5.616 1.00 0.00 C ATOM 658 CD GLU B 4 34.241 -10.878 -6.106 1.00 0.00 C ATOM 659 OE1 GLU B 4 35.431 -11.085 -5.933 1.00 0.00 O ATOM 660 OE2 GLU B 4 33.483 -11.667 -6.647 1.00 0.00 O ATOM 0 H GLU B 4 34.852 -6.369 -6.678 1.00 0.00 H new ATOM 0 HA GLU B 4 33.246 -7.358 -4.504 1.00 0.00 H new ATOM 0 HB2 GLU B 4 35.040 -8.211 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU B 4 35.666 -8.896 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU B 4 33.241 -9.669 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU B 4 32.853 -9.229 -6.270 1.00 0.00 H new ATOM 667 N GLU B 5 36.081 -6.181 -3.592 1.00 0.00 N ATOM 668 CA GLU B 5 36.931 -5.959 -2.389 1.00 0.00 C ATOM 669 C GLU B 5 36.183 -5.120 -1.351 1.00 0.00 C ATOM 670 O GLU B 5 36.108 -5.478 -0.193 1.00 0.00 O ATOM 671 CB GLU B 5 38.155 -5.204 -2.905 1.00 0.00 C ATOM 672 CG GLU B 5 39.402 -6.075 -2.736 1.00 0.00 C ATOM 673 CD GLU B 5 39.731 -6.214 -1.248 1.00 0.00 C ATOM 674 OE1 GLU B 5 39.296 -5.369 -0.483 1.00 0.00 O ATOM 675 OE2 GLU B 5 40.413 -7.164 -0.899 1.00 0.00 O ATOM 0 H GLU B 5 36.312 -5.603 -4.400 1.00 0.00 H new ATOM 0 HA GLU B 5 37.202 -6.895 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU B 5 38.019 -4.945 -3.955 1.00 0.00 H new ATOM 0 HB3 GLU B 5 38.275 -4.269 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU B 5 39.234 -7.058 -3.175 1.00 0.00 H new ATOM 0 HG3 GLU B 5 40.244 -5.629 -3.265 1.00 0.00 H new ATOM 682 N LEU B 6 35.631 -4.009 -1.751 1.00 0.00 N ATOM 683 CA LEU B 6 34.894 -3.163 -0.770 1.00 0.00 C ATOM 684 C LEU B 6 33.627 -3.899 -0.313 1.00 0.00 C ATOM 685 O LEU B 6 33.178 -3.745 0.804 1.00 0.00 O ATOM 686 CB LEU B 6 34.601 -1.838 -1.522 1.00 0.00 C ATOM 687 CG LEU B 6 33.139 -1.740 -1.995 1.00 0.00 C ATOM 688 CD1 LEU B 6 32.240 -1.372 -0.812 1.00 0.00 C ATOM 689 CD2 LEU B 6 33.023 -0.653 -3.068 1.00 0.00 C ATOM 0 H LEU B 6 35.657 -3.652 -2.706 1.00 0.00 H new ATOM 0 HA LEU B 6 35.455 -2.955 0.141 1.00 0.00 H new ATOM 0 HB2 LEU B 6 34.825 -0.995 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU B 6 35.264 -1.758 -2.383 1.00 0.00 H new ATOM 0 HG LEU B 6 32.829 -2.701 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU B 6 31.206 -1.303 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU B 6 32.320 -2.139 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU B 6 32.553 -0.412 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU B 6 31.988 -0.582 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU B 6 33.335 0.304 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU B 6 33.663 -0.907 -3.913 1.00 0.00 H new ATOM 701 N GLU B 7 33.064 -4.706 -1.170 1.00 0.00 N ATOM 702 CA GLU B 7 31.836 -5.465 -0.792 1.00 0.00 C ATOM 703 C GLU B 7 32.166 -6.496 0.286 1.00 0.00 C ATOM 704 O GLU B 7 31.510 -6.581 1.309 1.00 0.00 O ATOM 705 CB GLU B 7 31.404 -6.172 -2.074 1.00 0.00 C ATOM 706 CG GLU B 7 29.980 -6.707 -1.906 1.00 0.00 C ATOM 707 CD GLU B 7 29.426 -7.120 -3.271 1.00 0.00 C ATOM 708 OE1 GLU B 7 29.177 -6.240 -4.078 1.00 0.00 O ATOM 709 OE2 GLU B 7 29.261 -8.310 -3.486 1.00 0.00 O ATOM 0 H GLU B 7 33.401 -4.873 -2.118 1.00 0.00 H new ATOM 0 HA GLU B 7 31.057 -4.816 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU B 7 31.447 -5.481 -2.916 1.00 0.00 H new ATOM 0 HB3 GLU B 7 32.088 -6.991 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU B 7 29.978 -7.560 -1.228 1.00 0.00 H new ATOM 0 HG3 GLU B 7 29.343 -5.943 -1.459 1.00 0.00 H new ATOM 716 N LYS B 8 33.179 -7.285 0.060 1.00 0.00 N ATOM 717 CA LYS B 8 33.551 -8.314 1.068 1.00 0.00 C ATOM 718 C LYS B 8 33.878 -7.644 2.396 1.00 0.00 C ATOM 719 O LYS B 8 33.342 -7.999 3.421 1.00 0.00 O ATOM 720 CB LYS B 8 34.780 -9.018 0.494 1.00 0.00 C ATOM 721 CG LYS B 8 34.403 -9.714 -0.815 1.00 0.00 C ATOM 722 CD LYS B 8 34.102 -11.189 -0.539 1.00 0.00 C ATOM 723 CE LYS B 8 32.657 -11.502 -0.935 1.00 0.00 C ATOM 724 NZ LYS B 8 31.972 -11.830 0.348 1.00 0.00 N ATOM 0 H LYS B 8 33.763 -7.262 -0.776 1.00 0.00 H new ATOM 0 HA LYS B 8 32.742 -9.020 1.259 1.00 0.00 H new ATOM 0 HB2 LYS B 8 35.577 -8.296 0.318 1.00 0.00 H new ATOM 0 HB3 LYS B 8 35.162 -9.747 1.209 1.00 0.00 H new ATOM 0 HG2 LYS B 8 33.533 -9.231 -1.259 1.00 0.00 H new ATOM 0 HG3 LYS B 8 35.218 -9.626 -1.534 1.00 0.00 H new ATOM 0 HD2 LYS B 8 34.789 -11.822 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS B 8 34.256 -11.410 0.517 1.00 0.00 H new ATOM 0 HE2 LYS B 8 32.188 -10.650 -1.427 1.00 0.00 H new ATOM 0 HE3 LYS B 8 32.611 -12.338 -1.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 31.022 -12.203 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 32.524 -12.546 0.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 31.892 -10.971 0.928 1.00 0.00 H new ATOM 738 N LYS B 9 34.734 -6.666 2.386 1.00 0.00 N ATOM 739 CA LYS B 9 35.062 -5.968 3.658 1.00 0.00 C ATOM 740 C LYS B 9 33.783 -5.363 4.241 1.00 0.00 C ATOM 741 O LYS B 9 33.687 -5.099 5.421 1.00 0.00 O ATOM 742 CB LYS B 9 36.054 -4.873 3.268 1.00 0.00 C ATOM 743 CG LYS B 9 37.483 -5.389 3.455 1.00 0.00 C ATOM 744 CD LYS B 9 38.374 -4.256 3.966 1.00 0.00 C ATOM 745 CE LYS B 9 39.817 -4.752 4.073 1.00 0.00 C ATOM 746 NZ LYS B 9 40.335 -4.721 2.676 1.00 0.00 N ATOM 0 H LYS B 9 35.219 -6.320 1.558 1.00 0.00 H new ATOM 0 HA LYS B 9 35.483 -6.633 4.412 1.00 0.00 H new ATOM 0 HB2 LYS B 9 35.896 -4.577 2.231 1.00 0.00 H new ATOM 0 HB3 LYS B 9 35.893 -3.986 3.881 1.00 0.00 H new ATOM 0 HG2 LYS B 9 37.491 -6.219 4.162 1.00 0.00 H new ATOM 0 HG3 LYS B 9 37.869 -5.771 2.510 1.00 0.00 H new ATOM 0 HD2 LYS B 9 38.320 -3.403 3.289 1.00 0.00 H new ATOM 0 HD3 LYS B 9 38.023 -3.913 4.939 1.00 0.00 H new ATOM 0 HE2 LYS B 9 40.408 -4.112 4.728 1.00 0.00 H new ATOM 0 HE3 LYS B 9 39.859 -5.759 4.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 41.322 -4.394 2.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 40.288 -5.676 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 39.757 -4.072 2.106 1.00 0.00 H new ATOM 760 N PHE B 10 32.799 -5.146 3.408 1.00 0.00 N ATOM 761 CA PHE B 10 31.514 -4.561 3.884 1.00 0.00 C ATOM 762 C PHE B 10 30.809 -5.502 4.866 1.00 0.00 C ATOM 763 O PHE B 10 30.649 -5.194 6.034 1.00 0.00 O ATOM 764 CB PHE B 10 30.675 -4.404 2.610 1.00 0.00 C ATOM 765 CG PHE B 10 29.706 -3.261 2.759 1.00 0.00 C ATOM 766 CD1 PHE B 10 30.171 -1.929 2.698 1.00 0.00 C ATOM 767 CD2 PHE B 10 28.329 -3.523 2.940 1.00 0.00 C ATOM 768 CE1 PHE B 10 29.261 -0.858 2.821 1.00 0.00 C ATOM 769 CE2 PHE B 10 27.417 -2.451 3.058 1.00 0.00 C ATOM 770 CZ PHE B 10 27.885 -1.119 3.000 1.00 0.00 C ATOM 0 H PHE B 10 32.833 -5.352 2.409 1.00 0.00 H new ATOM 0 HA PHE B 10 31.665 -3.620 4.414 1.00 0.00 H new ATOM 0 HB2 PHE B 10 31.328 -4.227 1.756 1.00 0.00 H new ATOM 0 HB3 PHE B 10 30.131 -5.327 2.409 1.00 0.00 H new ATOM 0 HD1 PHE B 10 31.223 -1.730 2.557 1.00 0.00 H new ATOM 0 HD2 PHE B 10 27.974 -4.542 2.988 1.00 0.00 H new ATOM 0 HE1 PHE B 10 29.617 0.161 2.778 1.00 0.00 H new ATOM 0 HE2 PHE B 10 26.364 -2.649 3.192 1.00 0.00 H new ATOM 0 HZ PHE B 10 27.189 -0.299 3.093 1.00 0.00 H new ATOM 780 N LYS B 11 30.372 -6.642 4.403 1.00 0.00 N ATOM 781 CA LYS B 11 29.657 -7.582 5.316 1.00 0.00 C ATOM 782 C LYS B 11 30.600 -8.113 6.396 1.00 0.00 C ATOM 783 O LYS B 11 30.195 -8.397 7.508 1.00 0.00 O ATOM 784 CB LYS B 11 29.175 -8.710 4.410 1.00 0.00 C ATOM 785 CG LYS B 11 28.441 -9.759 5.246 1.00 0.00 C ATOM 786 CD LYS B 11 27.009 -9.286 5.505 1.00 0.00 C ATOM 787 CE LYS B 11 26.427 -10.046 6.699 1.00 0.00 C ATOM 788 NZ LYS B 11 25.015 -9.577 6.799 1.00 0.00 N ATOM 0 H LYS B 11 30.477 -6.962 3.440 1.00 0.00 H new ATOM 0 HA LYS B 11 28.834 -7.099 5.843 1.00 0.00 H new ATOM 0 HB2 LYS B 11 28.512 -8.314 3.640 1.00 0.00 H new ATOM 0 HB3 LYS B 11 30.022 -9.166 3.897 1.00 0.00 H new ATOM 0 HG2 LYS B 11 28.432 -10.716 4.724 1.00 0.00 H new ATOM 0 HG3 LYS B 11 28.961 -9.917 6.191 1.00 0.00 H new ATOM 0 HD2 LYS B 11 26.999 -8.214 5.703 1.00 0.00 H new ATOM 0 HD3 LYS B 11 26.394 -9.452 4.620 1.00 0.00 H new ATOM 0 HE2 LYS B 11 26.476 -11.124 6.543 1.00 0.00 H new ATOM 0 HE3 LYS B 11 26.981 -9.831 7.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 24.547 -10.053 7.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 25.001 -8.549 6.953 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 24.511 -9.802 5.917 1.00 0.00 H new ATOM 802 N GLU B 12 31.853 -8.240 6.081 1.00 0.00 N ATOM 803 CA GLU B 12 32.826 -8.745 7.086 1.00 0.00 C ATOM 804 C GLU B 12 33.097 -7.664 8.131 1.00 0.00 C ATOM 805 O GLU B 12 33.525 -7.947 9.233 1.00 0.00 O ATOM 806 CB GLU B 12 34.095 -9.057 6.294 1.00 0.00 C ATOM 807 CG GLU B 12 34.109 -10.540 5.915 1.00 0.00 C ATOM 808 CD GLU B 12 35.551 -11.051 5.905 1.00 0.00 C ATOM 809 OE1 GLU B 12 36.316 -10.590 5.073 1.00 0.00 O ATOM 810 OE2 GLU B 12 35.866 -11.894 6.729 1.00 0.00 O ATOM 0 H GLU B 12 32.249 -8.016 5.168 1.00 0.00 H new ATOM 0 HA GLU B 12 32.458 -9.623 7.617 1.00 0.00 H new ATOM 0 HB2 GLU B 12 34.136 -8.441 5.396 1.00 0.00 H new ATOM 0 HB3 GLU B 12 34.976 -8.814 6.888 1.00 0.00 H new ATOM 0 HG2 GLU B 12 33.514 -11.113 6.626 1.00 0.00 H new ATOM 0 HG3 GLU B 12 33.656 -10.680 4.934 1.00 0.00 H new ATOM 817 N LEU B 13 32.846 -6.426 7.800 1.00 0.00 N ATOM 818 CA LEU B 13 33.088 -5.340 8.786 1.00 0.00 C ATOM 819 C LEU B 13 31.939 -5.293 9.794 1.00 0.00 C ATOM 820 O LEU B 13 32.149 -5.115 10.978 1.00 0.00 O ATOM 821 CB LEU B 13 33.153 -4.056 7.962 1.00 0.00 C ATOM 822 CG LEU B 13 34.615 -3.752 7.629 1.00 0.00 C ATOM 823 CD1 LEU B 13 34.683 -2.760 6.468 1.00 0.00 C ATOM 824 CD2 LEU B 13 35.302 -3.147 8.855 1.00 0.00 C ATOM 0 H LEU B 13 32.486 -6.123 6.895 1.00 0.00 H new ATOM 0 HA LEU B 13 34.004 -5.488 9.358 1.00 0.00 H new ATOM 0 HB2 LEU B 13 32.573 -4.167 7.046 1.00 0.00 H new ATOM 0 HB3 LEU B 13 32.714 -3.228 8.519 1.00 0.00 H new ATOM 0 HG LEU B 13 35.120 -4.676 7.346 1.00 0.00 H new ATOM 0 HD11 LEU B 13 35.726 -2.546 6.233 1.00 0.00 H new ATOM 0 HD12 LEU B 13 34.195 -3.190 5.593 1.00 0.00 H new ATOM 0 HD13 LEU B 13 34.177 -1.836 6.749 1.00 0.00 H new ATOM 0 HD21 LEU B 13 36.344 -2.930 8.618 1.00 0.00 H new ATOM 0 HD22 LEU B 13 34.795 -2.225 9.138 1.00 0.00 H new ATOM 0 HD23 LEU B 13 35.258 -3.854 9.683 1.00 0.00 H new ATOM 836 N TRP B 14 30.727 -5.466 9.340 1.00 0.00 N ATOM 837 CA TRP B 14 29.575 -5.445 10.290 1.00 0.00 C ATOM 838 C TRP B 14 29.692 -6.609 11.267 1.00 0.00 C ATOM 839 O TRP B 14 29.554 -6.452 12.464 1.00 0.00 O ATOM 840 CB TRP B 14 28.332 -5.617 9.422 1.00 0.00 C ATOM 841 CG TRP B 14 27.611 -4.319 9.336 1.00 0.00 C ATOM 842 CD1 TRP B 14 26.817 -3.784 10.298 1.00 0.00 C ATOM 843 CD2 TRP B 14 27.611 -3.380 8.240 1.00 0.00 C ATOM 844 NE1 TRP B 14 26.332 -2.571 9.853 1.00 0.00 N ATOM 845 CE2 TRP B 14 26.793 -2.276 8.591 1.00 0.00 C ATOM 846 CE3 TRP B 14 28.240 -3.376 6.976 1.00 0.00 C ATOM 847 CZ2 TRP B 14 26.607 -1.204 7.714 1.00 0.00 C ATOM 848 CZ3 TRP B 14 28.059 -2.302 6.090 1.00 0.00 C ATOM 849 CH2 TRP B 14 27.246 -1.214 6.455 1.00 0.00 C ATOM 0 H TRP B 14 30.485 -5.620 8.361 1.00 0.00 H new ATOM 0 HA TRP B 14 29.540 -4.525 10.873 1.00 0.00 H new ATOM 0 HB2 TRP B 14 28.614 -5.956 8.425 1.00 0.00 H new ATOM 0 HB3 TRP B 14 27.681 -6.381 9.846 1.00 0.00 H new ATOM 0 HD1 TRP B 14 26.600 -4.234 11.255 1.00 0.00 H new ATOM 0 HE1 TRP B 14 25.710 -1.969 10.392 1.00 0.00 H new ATOM 0 HE3 TRP B 14 28.866 -4.207 6.688 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 25.978 -0.373 7.998 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 28.545 -2.311 5.126 1.00 0.00 H new ATOM 0 HH2 TRP B 14 27.111 -0.387 5.773 1.00 0.00 H new ATOM 860 N LYS B 15 29.946 -7.779 10.758 1.00 0.00 N ATOM 861 CA LYS B 15 30.073 -8.965 11.644 1.00 0.00 C ATOM 862 C LYS B 15 31.552 -9.313 11.831 1.00 0.00 C ATOM 863 O LYS B 15 32.060 -10.261 11.265 1.00 0.00 O ATOM 864 CB LYS B 15 29.327 -10.069 10.900 1.00 0.00 C ATOM 865 CG LYS B 15 29.439 -11.383 11.677 1.00 0.00 C ATOM 866 CD LYS B 15 28.447 -11.372 12.842 1.00 0.00 C ATOM 867 CE LYS B 15 27.726 -12.720 12.910 1.00 0.00 C ATOM 868 NZ LYS B 15 26.832 -12.735 11.718 1.00 0.00 N ATOM 0 H LYS B 15 30.072 -7.966 9.763 1.00 0.00 H new ATOM 0 HA LYS B 15 29.666 -8.807 12.643 1.00 0.00 H new ATOM 0 HB2 LYS B 15 28.279 -9.795 10.779 1.00 0.00 H new ATOM 0 HB3 LYS B 15 29.742 -10.191 9.899 1.00 0.00 H new ATOM 0 HG2 LYS B 15 29.233 -12.226 11.018 1.00 0.00 H new ATOM 0 HG3 LYS B 15 30.455 -11.511 12.051 1.00 0.00 H new ATOM 0 HD2 LYS B 15 28.971 -11.180 13.778 1.00 0.00 H new ATOM 0 HD3 LYS B 15 27.724 -10.567 12.711 1.00 0.00 H new ATOM 0 HE2 LYS B 15 28.434 -13.549 12.884 1.00 0.00 H new ATOM 0 HE3 LYS B 15 27.155 -12.817 13.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 25.950 -13.233 11.952 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 26.614 -11.758 11.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 27.308 -13.224 10.933 1.00 0.00 H new ATOM 882 N GLY B 16 32.246 -8.536 12.617 1.00 0.00 N ATOM 883 CA GLY B 16 33.695 -8.793 12.850 1.00 0.00 C ATOM 884 C GLY B 16 34.291 -7.606 13.617 1.00 0.00 C ATOM 885 O GLY B 16 34.244 -7.568 14.830 1.00 0.00 O ATOM 0 H GLY B 16 31.868 -7.728 13.111 1.00 0.00 H new ATOM 0 HA2 GLY B 16 33.828 -9.714 13.417 1.00 0.00 H new ATOM 0 HA3 GLY B 16 34.212 -8.926 11.900 1.00 0.00 H new ATOM 889 N PRO B 17 34.828 -6.667 12.879 1.00 0.00 N ATOM 890 CA PRO B 17 35.429 -5.463 13.500 1.00 0.00 C ATOM 891 C PRO B 17 34.318 -4.500 13.940 1.00 0.00 C ATOM 892 O PRO B 17 33.184 -4.896 14.117 1.00 0.00 O ATOM 893 CB PRO B 17 36.267 -4.862 12.374 1.00 0.00 C ATOM 894 CG PRO B 17 35.630 -5.342 11.107 1.00 0.00 C ATOM 895 CD PRO B 17 34.927 -6.642 11.414 1.00 0.00 C ATOM 0 HA PRO B 17 36.022 -5.676 14.389 1.00 0.00 H new ATOM 0 HB2 PRO B 17 36.270 -3.773 12.424 1.00 0.00 H new ATOM 0 HB3 PRO B 17 37.305 -5.187 12.440 1.00 0.00 H new ATOM 0 HG2 PRO B 17 34.922 -4.603 10.731 1.00 0.00 H new ATOM 0 HG3 PRO B 17 36.382 -5.487 10.331 1.00 0.00 H new ATOM 0 HD2 PRO B 17 33.942 -6.681 10.949 1.00 0.00 H new ATOM 0 HD3 PRO B 17 35.490 -7.497 11.039 1.00 0.00 H new ATOM 903 N ARG B 18 34.630 -3.240 14.117 1.00 0.00 N ATOM 904 CA ARG B 18 33.584 -2.259 14.541 1.00 0.00 C ATOM 905 C ARG B 18 32.322 -2.415 13.677 1.00 0.00 C ATOM 906 O ARG B 18 32.315 -3.138 12.700 1.00 0.00 O ATOM 907 CB ARG B 18 34.236 -0.871 14.361 1.00 0.00 C ATOM 908 CG ARG B 18 34.148 -0.393 12.899 1.00 0.00 C ATOM 909 CD ARG B 18 34.995 -1.297 12.000 1.00 0.00 C ATOM 910 NE ARG B 18 36.383 -1.199 12.543 1.00 0.00 N ATOM 911 CZ ARG B 18 37.011 -0.053 12.540 1.00 0.00 C ATOM 912 NH1 ARG B 18 36.808 0.800 11.574 1.00 0.00 N ATOM 913 NH2 ARG B 18 37.840 0.239 13.505 1.00 0.00 N ATOM 0 H ARG B 18 35.563 -2.849 13.986 1.00 0.00 H new ATOM 0 HA ARG B 18 33.262 -2.410 15.571 1.00 0.00 H new ATOM 0 HB2 ARG B 18 33.743 -0.149 15.012 1.00 0.00 H new ATOM 0 HB3 ARG B 18 35.281 -0.916 14.668 1.00 0.00 H new ATOM 0 HG2 ARG B 18 33.110 -0.405 12.566 1.00 0.00 H new ATOM 0 HG3 ARG B 18 34.495 0.637 12.823 1.00 0.00 H new ATOM 0 HD2 ARG B 18 34.634 -2.325 12.024 1.00 0.00 H new ATOM 0 HD3 ARG B 18 34.954 -0.969 10.961 1.00 0.00 H new ATOM 0 HE ARG B 18 36.842 -2.029 12.917 1.00 0.00 H new ATOM 0 HH11 ARG B 18 36.159 0.573 10.821 1.00 0.00 H new ATOM 0 HH12 ARG B 18 37.298 1.694 11.572 1.00 0.00 H new ATOM 0 HH21 ARG B 18 37.997 -0.427 14.261 1.00 0.00 H new ATOM 0 HH22 ARG B 18 38.330 1.133 13.503 1.00 0.00 H new ATOM 927 N ARG B 19 31.259 -1.746 14.026 1.00 0.00 N ATOM 928 CA ARG B 19 30.015 -1.870 13.216 1.00 0.00 C ATOM 929 C ARG B 19 29.339 -0.505 13.055 1.00 0.00 C ATOM 930 O ARG B 19 28.882 -0.151 11.986 1.00 0.00 O ATOM 931 CB ARG B 19 29.120 -2.820 14.012 1.00 0.00 C ATOM 932 CG ARG B 19 27.872 -3.153 13.193 1.00 0.00 C ATOM 933 CD ARG B 19 26.903 -3.969 14.050 1.00 0.00 C ATOM 934 NE ARG B 19 26.085 -2.955 14.773 1.00 0.00 N ATOM 935 CZ ARG B 19 25.686 -3.187 15.993 1.00 0.00 C ATOM 936 NH1 ARG B 19 24.549 -3.792 16.203 1.00 0.00 N ATOM 937 NH2 ARG B 19 26.424 -2.815 17.003 1.00 0.00 N ATOM 0 H ARG B 19 31.197 -1.123 14.831 1.00 0.00 H new ATOM 0 HA ARG B 19 30.216 -2.240 12.211 1.00 0.00 H new ATOM 0 HB2 ARG B 19 29.664 -3.733 14.252 1.00 0.00 H new ATOM 0 HB3 ARG B 19 28.835 -2.360 14.958 1.00 0.00 H new ATOM 0 HG2 ARG B 19 27.391 -2.236 12.854 1.00 0.00 H new ATOM 0 HG3 ARG B 19 28.148 -3.716 12.301 1.00 0.00 H new ATOM 0 HD2 ARG B 19 26.278 -4.615 13.433 1.00 0.00 H new ATOM 0 HD3 ARG B 19 27.438 -4.614 14.746 1.00 0.00 H new ATOM 0 HE ARG B 19 25.837 -2.079 14.314 1.00 0.00 H new ATOM 0 HH11 ARG B 19 23.973 -4.083 15.413 1.00 0.00 H new ATOM 0 HH12 ARG B 19 24.237 -3.974 17.157 1.00 0.00 H new ATOM 0 HH21 ARG B 19 27.313 -2.343 16.838 1.00 0.00 H new ATOM 0 HH22 ARG B 19 26.112 -2.996 17.957 1.00 0.00 H new ATOM 951 N GLY B 20 29.266 0.262 14.107 1.00 0.00 N ATOM 952 CA GLY B 20 28.615 1.600 14.011 1.00 0.00 C ATOM 953 C GLY B 20 29.381 2.478 13.019 1.00 0.00 C ATOM 954 O GLY B 20 28.801 3.252 12.285 1.00 0.00 O ATOM 0 H GLY B 20 29.629 0.021 15.029 1.00 0.00 H new ATOM 0 HA2 GLY B 20 27.580 1.489 13.689 1.00 0.00 H new ATOM 0 HA3 GLY B 20 28.594 2.076 14.991 1.00 0.00 H new ATOM 958 N GLU B 21 30.681 2.367 12.992 1.00 0.00 N ATOM 959 CA GLU B 21 31.481 3.200 12.048 1.00 0.00 C ATOM 960 C GLU B 21 31.253 2.739 10.605 1.00 0.00 C ATOM 961 O GLU B 21 31.288 3.524 9.679 1.00 0.00 O ATOM 962 CB GLU B 21 32.937 2.977 12.458 1.00 0.00 C ATOM 963 CG GLU B 21 33.410 4.150 13.318 1.00 0.00 C ATOM 964 CD GLU B 21 34.545 3.686 14.234 1.00 0.00 C ATOM 965 OE1 GLU B 21 34.398 2.637 14.840 1.00 0.00 O ATOM 966 OE2 GLU B 21 35.540 4.387 14.313 1.00 0.00 O ATOM 0 H GLU B 21 31.224 1.736 13.582 1.00 0.00 H new ATOM 0 HA GLU B 21 31.201 4.253 12.091 1.00 0.00 H new ATOM 0 HB2 GLU B 21 33.031 2.044 13.014 1.00 0.00 H new ATOM 0 HB3 GLU B 21 33.565 2.885 11.572 1.00 0.00 H new ATOM 0 HG2 GLU B 21 33.752 4.966 12.682 1.00 0.00 H new ATOM 0 HG3 GLU B 21 32.582 4.535 13.913 1.00 0.00 H new ATOM 973 N ILE B 22 31.020 1.470 10.408 1.00 0.00 N ATOM 974 CA ILE B 22 30.790 0.959 9.025 1.00 0.00 C ATOM 975 C ILE B 22 29.453 1.470 8.490 1.00 0.00 C ATOM 976 O ILE B 22 29.388 2.107 7.458 1.00 0.00 O ATOM 977 CB ILE B 22 30.764 -0.561 9.165 1.00 0.00 C ATOM 978 CG1 ILE B 22 32.087 -1.039 9.763 1.00 0.00 C ATOM 979 CG2 ILE B 22 30.561 -1.197 7.787 1.00 0.00 C ATOM 980 CD1 ILE B 22 33.236 -0.679 8.819 1.00 0.00 C ATOM 0 H ILE B 22 30.979 0.765 11.144 1.00 0.00 H new ATOM 0 HA ILE B 22 31.559 1.291 8.328 1.00 0.00 H new ATOM 0 HB ILE B 22 29.944 -0.853 9.821 1.00 0.00 H new ATOM 0 HG12 ILE B 22 32.245 -0.577 10.738 1.00 0.00 H new ATOM 0 HG13 ILE B 22 32.058 -2.117 9.922 1.00 0.00 H new ATOM 0 HG21 ILE B 22 30.542 -2.282 7.886 1.00 0.00 H new ATOM 0 HG22 ILE B 22 29.616 -0.855 7.364 1.00 0.00 H new ATOM 0 HG23 ILE B 22 31.380 -0.907 7.128 1.00 0.00 H new ATOM 0 HD11 ILE B 22 34.179 -1.020 9.247 1.00 0.00 H new ATOM 0 HD12 ILE B 22 33.079 -1.162 7.854 1.00 0.00 H new ATOM 0 HD13 ILE B 22 33.270 0.402 8.683 1.00 0.00 H new ATOM 992 N GLU B 23 28.386 1.196 9.184 1.00 0.00 N ATOM 993 CA GLU B 23 27.057 1.667 8.718 1.00 0.00 C ATOM 994 C GLU B 23 27.075 3.187 8.563 1.00 0.00 C ATOM 995 O GLU B 23 26.415 3.741 7.703 1.00 0.00 O ATOM 996 CB GLU B 23 26.087 1.199 9.807 1.00 0.00 C ATOM 997 CG GLU B 23 24.662 1.598 9.446 1.00 0.00 C ATOM 998 CD GLU B 23 24.147 2.630 10.451 1.00 0.00 C ATOM 999 OE1 GLU B 23 24.046 2.291 11.619 1.00 0.00 O ATOM 1000 OE2 GLU B 23 23.860 3.741 10.037 1.00 0.00 O ATOM 0 H GLU B 23 28.378 0.665 10.055 1.00 0.00 H new ATOM 0 HA GLU B 23 26.768 1.274 7.743 1.00 0.00 H new ATOM 0 HB2 GLU B 23 26.152 0.117 9.922 1.00 0.00 H new ATOM 0 HB3 GLU B 23 26.364 1.639 10.765 1.00 0.00 H new ATOM 0 HG2 GLU B 23 24.634 2.012 8.438 1.00 0.00 H new ATOM 0 HG3 GLU B 23 24.016 0.720 9.448 1.00 0.00 H new ATOM 1007 N GLU B 24 27.854 3.867 9.357 1.00 0.00 N ATOM 1008 CA GLU B 24 27.936 5.344 9.209 1.00 0.00 C ATOM 1009 C GLU B 24 28.529 5.654 7.835 1.00 0.00 C ATOM 1010 O GLU B 24 28.100 6.556 7.136 1.00 0.00 O ATOM 1011 CB GLU B 24 28.869 5.811 10.328 1.00 0.00 C ATOM 1012 CG GLU B 24 29.179 7.299 10.151 1.00 0.00 C ATOM 1013 CD GLU B 24 28.921 8.033 11.469 1.00 0.00 C ATOM 1014 OE1 GLU B 24 27.781 8.049 11.902 1.00 0.00 O ATOM 1015 OE2 GLU B 24 29.868 8.567 12.022 1.00 0.00 O ATOM 0 H GLU B 24 28.432 3.467 10.096 1.00 0.00 H new ATOM 0 HA GLU B 24 26.969 5.842 9.279 1.00 0.00 H new ATOM 0 HB2 GLU B 24 28.404 5.639 11.299 1.00 0.00 H new ATOM 0 HB3 GLU B 24 29.793 5.232 10.310 1.00 0.00 H new ATOM 0 HG2 GLU B 24 30.217 7.432 9.845 1.00 0.00 H new ATOM 0 HG3 GLU B 24 28.558 7.720 9.360 1.00 0.00 H new ATOM 1022 N LEU B 25 29.507 4.887 7.439 1.00 0.00 N ATOM 1023 CA LEU B 25 30.133 5.102 6.108 1.00 0.00 C ATOM 1024 C LEU B 25 29.098 4.874 5.009 1.00 0.00 C ATOM 1025 O LEU B 25 29.088 5.559 4.014 1.00 0.00 O ATOM 1026 CB LEU B 25 31.248 4.058 5.998 1.00 0.00 C ATOM 1027 CG LEU B 25 32.541 4.717 5.490 1.00 0.00 C ATOM 1028 CD1 LEU B 25 33.550 3.630 5.118 1.00 0.00 C ATOM 1029 CD2 LEU B 25 32.251 5.573 4.250 1.00 0.00 C ATOM 0 H LEU B 25 29.899 4.119 7.983 1.00 0.00 H new ATOM 0 HA LEU B 25 30.518 6.116 6.000 1.00 0.00 H new ATOM 0 HB2 LEU B 25 31.423 3.598 6.970 1.00 0.00 H new ATOM 0 HB3 LEU B 25 30.945 3.262 5.318 1.00 0.00 H new ATOM 0 HG LEU B 25 32.945 5.353 6.278 1.00 0.00 H new ATOM 0 HD11 LEU B 25 34.468 4.094 4.757 1.00 0.00 H new ATOM 0 HD12 LEU B 25 33.771 3.023 5.996 1.00 0.00 H new ATOM 0 HD13 LEU B 25 33.131 2.997 4.335 1.00 0.00 H new ATOM 0 HD21 LEU B 25 33.175 6.033 3.901 1.00 0.00 H new ATOM 0 HD22 LEU B 25 31.839 4.943 3.461 1.00 0.00 H new ATOM 0 HD23 LEU B 25 31.532 6.351 4.505 1.00 0.00 H new ATOM 1041 N HIS B 26 28.226 3.915 5.182 1.00 0.00 N ATOM 1042 CA HIS B 26 27.194 3.658 4.137 1.00 0.00 C ATOM 1043 C HIS B 26 26.358 4.921 3.927 1.00 0.00 C ATOM 1044 O HIS B 26 26.116 5.337 2.812 1.00 0.00 O ATOM 1045 CB HIS B 26 26.337 2.514 4.682 1.00 0.00 C ATOM 1046 CG HIS B 26 25.172 2.278 3.759 1.00 0.00 C ATOM 1047 ND1 HIS B 26 25.305 1.628 2.541 1.00 0.00 N ATOM 1048 CD2 HIS B 26 23.846 2.605 3.865 1.00 0.00 C ATOM 1049 CE1 HIS B 26 24.086 1.585 1.970 1.00 0.00 C ATOM 1050 NE2 HIS B 26 23.161 2.167 2.736 1.00 0.00 N ATOM 0 H HIS B 26 28.184 3.303 5.997 1.00 0.00 H new ATOM 0 HA HIS B 26 27.629 3.395 3.173 1.00 0.00 H new ATOM 0 HB2 HIS B 26 26.935 1.607 4.770 1.00 0.00 H new ATOM 0 HB3 HIS B 26 25.979 2.758 5.682 1.00 0.00 H new ATOM 0 HD1 HIS B 26 26.168 1.251 2.149 1.00 0.00 H new ATOM 0 HD2 HIS B 26 23.399 3.125 4.700 1.00 0.00 H new ATOM 0 HE1 HIS B 26 23.882 1.135 1.010 1.00 0.00 H new ATOM 1058 N LYS B 27 25.925 5.548 4.988 1.00 0.00 N ATOM 1059 CA LYS B 27 25.122 6.794 4.827 1.00 0.00 C ATOM 1060 C LYS B 27 25.907 7.793 3.973 1.00 0.00 C ATOM 1061 O LYS B 27 25.385 8.388 3.048 1.00 0.00 O ATOM 1062 CB LYS B 27 24.929 7.333 6.244 1.00 0.00 C ATOM 1063 CG LYS B 27 23.437 7.351 6.583 1.00 0.00 C ATOM 1064 CD LYS B 27 23.119 6.202 7.542 1.00 0.00 C ATOM 1065 CE LYS B 27 23.186 6.708 8.984 1.00 0.00 C ATOM 1066 NZ LYS B 27 22.058 6.028 9.680 1.00 0.00 N ATOM 0 H LYS B 27 26.091 5.255 5.951 1.00 0.00 H new ATOM 0 HA LYS B 27 24.166 6.619 4.334 1.00 0.00 H new ATOM 0 HB2 LYS B 27 25.468 6.710 6.958 1.00 0.00 H new ATOM 0 HB3 LYS B 27 25.343 8.338 6.322 1.00 0.00 H new ATOM 0 HG2 LYS B 27 23.168 8.304 7.038 1.00 0.00 H new ATOM 0 HG3 LYS B 27 22.845 7.254 5.673 1.00 0.00 H new ATOM 0 HD2 LYS B 27 22.127 5.802 7.331 1.00 0.00 H new ATOM 0 HD3 LYS B 27 23.828 5.387 7.398 1.00 0.00 H new ATOM 0 HE2 LYS B 27 24.142 6.461 9.446 1.00 0.00 H new ATOM 0 HE3 LYS B 27 23.082 7.792 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 21.863 6.511 10.580 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 21.210 6.060 9.079 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 22.312 5.037 9.867 1.00 0.00 H new ATOM 1080 N LYS B 28 27.167 7.967 4.268 1.00 0.00 N ATOM 1081 CA LYS B 28 27.992 8.913 3.465 1.00 0.00 C ATOM 1082 C LYS B 28 27.961 8.502 1.990 1.00 0.00 C ATOM 1083 O LYS B 28 27.822 9.325 1.109 1.00 0.00 O ATOM 1084 CB LYS B 28 29.408 8.785 4.028 1.00 0.00 C ATOM 1085 CG LYS B 28 29.766 10.054 4.804 1.00 0.00 C ATOM 1086 CD LYS B 28 29.709 9.768 6.307 1.00 0.00 C ATOM 1087 CE LYS B 28 31.028 10.190 6.959 1.00 0.00 C ATOM 1088 NZ LYS B 28 31.561 8.945 7.581 1.00 0.00 N ATOM 0 H LYS B 28 27.659 7.497 5.028 1.00 0.00 H new ATOM 0 HA LYS B 28 27.626 9.938 3.523 1.00 0.00 H new ATOM 0 HB2 LYS B 28 29.473 7.916 4.682 1.00 0.00 H new ATOM 0 HB3 LYS B 28 30.120 8.629 3.218 1.00 0.00 H new ATOM 0 HG2 LYS B 28 30.764 10.394 4.525 1.00 0.00 H new ATOM 0 HG3 LYS B 28 29.073 10.856 4.549 1.00 0.00 H new ATOM 0 HD2 LYS B 28 28.878 10.309 6.759 1.00 0.00 H new ATOM 0 HD3 LYS B 28 29.529 8.707 6.479 1.00 0.00 H new ATOM 0 HE2 LYS B 28 31.723 10.592 6.222 1.00 0.00 H new ATOM 0 HE3 LYS B 28 30.869 10.968 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 32.316 9.189 8.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 30.795 8.453 8.084 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 31.944 8.324 6.840 1.00 0.00 H new ATOM 1102 N PHE B 29 28.081 7.228 1.721 1.00 0.00 N ATOM 1103 CA PHE B 29 28.053 6.742 0.313 1.00 0.00 C ATOM 1104 C PHE B 29 26.757 7.185 -0.361 1.00 0.00 C ATOM 1105 O PHE B 29 26.733 7.485 -1.537 1.00 0.00 O ATOM 1106 CB PHE B 29 28.123 5.215 0.417 1.00 0.00 C ATOM 1107 CG PHE B 29 29.484 4.759 0.931 1.00 0.00 C ATOM 1108 CD1 PHE B 29 30.611 5.625 0.908 1.00 0.00 C ATOM 1109 CD2 PHE B 29 29.626 3.444 1.432 1.00 0.00 C ATOM 1110 CE1 PHE B 29 31.861 5.174 1.383 1.00 0.00 C ATOM 1111 CE2 PHE B 29 30.880 2.997 1.907 1.00 0.00 C ATOM 1112 CZ PHE B 29 31.996 3.861 1.882 1.00 0.00 C ATOM 0 H PHE B 29 28.198 6.499 2.424 1.00 0.00 H new ATOM 0 HA PHE B 29 28.873 7.140 -0.285 1.00 0.00 H new ATOM 0 HB2 PHE B 29 27.340 4.857 1.086 1.00 0.00 H new ATOM 0 HB3 PHE B 29 27.934 4.772 -0.561 1.00 0.00 H new ATOM 0 HD1 PHE B 29 30.510 6.630 0.526 1.00 0.00 H new ATOM 0 HD2 PHE B 29 28.774 2.780 1.452 1.00 0.00 H new ATOM 0 HE1 PHE B 29 32.715 5.835 1.365 1.00 0.00 H new ATOM 0 HE2 PHE B 29 30.984 1.993 2.290 1.00 0.00 H new ATOM 0 HZ PHE B 29 32.953 3.517 2.245 1.00 0.00 H new ATOM 1122 N HIS B 30 25.683 7.251 0.375 1.00 0.00 N ATOM 1123 CA HIS B 30 24.405 7.704 -0.238 1.00 0.00 C ATOM 1124 C HIS B 30 24.555 9.169 -0.638 1.00 0.00 C ATOM 1125 O HIS B 30 24.110 9.589 -1.686 1.00 0.00 O ATOM 1126 CB HIS B 30 23.349 7.532 0.853 1.00 0.00 C ATOM 1127 CG HIS B 30 22.035 8.080 0.368 1.00 0.00 C ATOM 1128 ND1 HIS B 30 20.970 7.259 0.031 1.00 0.00 N ATOM 1129 CD2 HIS B 30 21.599 9.365 0.155 1.00 0.00 C ATOM 1130 CE1 HIS B 30 19.956 8.051 -0.363 1.00 0.00 C ATOM 1131 NE2 HIS B 30 20.287 9.344 -0.306 1.00 0.00 N ATOM 0 H HIS B 30 25.635 7.013 1.366 1.00 0.00 H new ATOM 0 HA HIS B 30 24.130 7.143 -1.131 1.00 0.00 H new ATOM 0 HB2 HIS B 30 23.243 6.478 1.109 1.00 0.00 H new ATOM 0 HB3 HIS B 30 23.659 8.051 1.760 1.00 0.00 H new ATOM 0 HD2 HIS B 30 22.186 10.256 0.320 1.00 0.00 H new ATOM 0 HE1 HIS B 30 18.992 7.686 -0.686 1.00 0.00 H new ATOM 0 HE2 HIS B 30 19.703 10.144 -0.549 1.00 0.00 H new ATOM 1139 N GLU B 31 25.214 9.942 0.181 1.00 0.00 N ATOM 1140 CA GLU B 31 25.437 11.374 -0.166 1.00 0.00 C ATOM 1141 C GLU B 31 26.722 11.500 -1.002 1.00 0.00 C ATOM 1142 O GLU B 31 27.108 12.577 -1.412 1.00 0.00 O ATOM 1143 CB GLU B 31 25.593 12.090 1.176 1.00 0.00 C ATOM 1144 CG GLU B 31 24.511 13.164 1.310 1.00 0.00 C ATOM 1145 CD GLU B 31 24.069 13.262 2.771 1.00 0.00 C ATOM 1146 OE1 GLU B 31 23.682 12.245 3.322 1.00 0.00 O ATOM 1147 OE2 GLU B 31 24.125 14.353 3.314 1.00 0.00 O ATOM 0 H GLU B 31 25.607 9.645 1.074 1.00 0.00 H new ATOM 0 HA GLU B 31 24.622 11.799 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU B 31 25.513 11.374 1.994 1.00 0.00 H new ATOM 0 HB3 GLU B 31 26.582 12.544 1.245 1.00 0.00 H new ATOM 0 HG2 GLU B 31 24.894 14.126 0.969 1.00 0.00 H new ATOM 0 HG3 GLU B 31 23.659 12.918 0.677 1.00 0.00 H new ATOM 1154 N LEU B 32 27.384 10.396 -1.254 1.00 0.00 N ATOM 1155 CA LEU B 32 28.641 10.418 -2.057 1.00 0.00 C ATOM 1156 C LEU B 32 28.315 10.188 -3.532 1.00 0.00 C ATOM 1157 O LEU B 32 28.999 10.667 -4.414 1.00 0.00 O ATOM 1158 CB LEU B 32 29.451 9.233 -1.512 1.00 0.00 C ATOM 1159 CG LEU B 32 30.946 9.396 -1.816 1.00 0.00 C ATOM 1160 CD1 LEU B 32 31.703 8.215 -1.204 1.00 0.00 C ATOM 1161 CD2 LEU B 32 31.186 9.403 -3.327 1.00 0.00 C ATOM 0 H LEU B 32 27.101 9.471 -0.932 1.00 0.00 H new ATOM 0 HA LEU B 32 29.175 11.365 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU B 32 29.303 9.153 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU B 32 29.086 8.306 -1.954 1.00 0.00 H new ATOM 0 HG LEU B 32 31.295 10.339 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU B 32 32.768 8.318 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU B 32 31.544 8.200 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU B 32 31.337 7.284 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU B 32 32.251 9.519 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU B 32 30.838 8.463 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU B 32 30.640 10.232 -3.778 1.00 0.00 H new ATOM 1173 N ILE B 33 27.288 9.427 -3.809 1.00 0.00 N ATOM 1174 CA ILE B 33 26.948 9.136 -5.233 1.00 0.00 C ATOM 1175 C ILE B 33 25.516 9.588 -5.555 1.00 0.00 C ATOM 1176 O ILE B 33 25.135 9.703 -6.703 1.00 0.00 O ATOM 1177 CB ILE B 33 27.098 7.610 -5.372 1.00 0.00 C ATOM 1178 CG1 ILE B 33 25.964 6.903 -4.618 1.00 0.00 C ATOM 1179 CG2 ILE B 33 28.455 7.168 -4.799 1.00 0.00 C ATOM 1180 CD1 ILE B 33 26.080 5.390 -4.802 1.00 0.00 C ATOM 0 H ILE B 33 26.674 8.998 -3.117 1.00 0.00 H new ATOM 0 HA ILE B 33 27.594 9.670 -5.929 1.00 0.00 H new ATOM 0 HB ILE B 33 27.047 7.341 -6.427 1.00 0.00 H new ATOM 0 HG12 ILE B 33 26.009 7.154 -3.558 1.00 0.00 H new ATOM 0 HG13 ILE B 33 24.999 7.250 -4.987 1.00 0.00 H new ATOM 0 HG21 ILE B 33 28.558 6.087 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE B 33 29.259 7.661 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE B 33 28.512 7.442 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE B 33 25.272 4.895 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE B 33 26.013 5.146 -5.862 1.00 0.00 H new ATOM 0 HD13 ILE B 33 27.038 5.048 -4.411 1.00 0.00 H new ATOM 1192 N LYS B 34 24.721 9.842 -4.551 1.00 0.00 N ATOM 1193 CA LYS B 34 23.317 10.283 -4.799 1.00 0.00 C ATOM 1194 C LYS B 34 22.599 9.281 -5.707 1.00 0.00 C ATOM 1195 O LYS B 34 22.378 9.535 -6.875 1.00 0.00 O ATOM 1196 CB LYS B 34 23.441 11.642 -5.488 1.00 0.00 C ATOM 1197 CG LYS B 34 23.214 12.755 -4.463 1.00 0.00 C ATOM 1198 CD LYS B 34 21.733 13.138 -4.443 1.00 0.00 C ATOM 1199 CE LYS B 34 21.547 14.418 -3.626 1.00 0.00 C ATOM 1200 NZ LYS B 34 20.566 15.227 -4.404 1.00 0.00 N ATOM 0 H LYS B 34 24.983 9.763 -3.568 1.00 0.00 H new ATOM 0 HA LYS B 34 22.737 10.347 -3.878 1.00 0.00 H new ATOM 0 HB2 LYS B 34 24.428 11.744 -5.940 1.00 0.00 H new ATOM 0 HB3 LYS B 34 22.712 11.721 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS B 34 23.528 12.422 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS B 34 23.822 13.624 -4.714 1.00 0.00 H new ATOM 0 HD2 LYS B 34 21.372 13.288 -5.460 1.00 0.00 H new ATOM 0 HD3 LYS B 34 21.143 12.329 -4.011 1.00 0.00 H new ATOM 0 HE2 LYS B 34 21.174 14.198 -2.626 1.00 0.00 H new ATOM 0 HE3 LYS B 34 22.490 14.950 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 20.385 16.123 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 20.952 15.426 -5.349 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 19.676 14.697 -4.498 1.00 0.00 H new ATOM 1214 N GLY B 35 22.233 8.145 -5.180 1.00 0.00 N ATOM 1215 CA GLY B 35 21.529 7.129 -6.012 1.00 0.00 C ATOM 1216 C GLY B 35 20.051 7.085 -5.619 1.00 0.00 C ATOM 1217 O GLY B 35 19.430 8.135 -5.606 1.00 0.00 O ATOM 1218 OXT GLY B 35 19.565 6.002 -5.338 1.00 0.00 O ATOM 0 H GLY B 35 22.391 7.876 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY B 35 21.628 7.376 -7.069 1.00 0.00 H new ATOM 0 HA3 GLY B 35 21.984 6.149 -5.870 1.00 0.00 H new TER 1222 GLY B 35