USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 561 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -151:sc= -0.0687 (180deg=-0.442) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.00872) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -155:sc= 0.164 (180deg=0.0224) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A 3 -6.124 -10.971 -3.579 1.00 0.00 N ATOM 20 CA ARG A 3 -5.747 -9.983 -2.583 1.00 0.00 C ATOM 21 C ARG A 3 -5.037 -8.803 -3.248 1.00 0.00 C ATOM 22 O ARG A 3 -5.491 -7.663 -3.149 1.00 0.00 O ATOM 23 CB ARG A 3 -4.826 -10.592 -1.523 1.00 0.00 C ATOM 24 CG ARG A 3 -5.559 -10.758 -0.190 1.00 0.00 C ATOM 25 CD ARG A 3 -5.959 -12.217 0.038 1.00 0.00 C ATOM 26 NE ARG A 3 -7.097 -12.288 0.980 1.00 0.00 N ATOM 27 CZ ARG A 3 -7.570 -13.428 1.502 1.00 0.00 C ATOM 28 NH1 ARG A 3 -7.006 -14.599 1.177 1.00 0.00 N ATOM 29 NH2 ARG A 3 -8.609 -13.396 2.349 1.00 0.00 N ATOM 0 HA ARG A 3 -6.660 -9.636 -2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.462 -11.561 -1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.953 -9.954 -1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.919 -10.421 0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.448 -10.127 -0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.232 -12.680 -0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.112 -12.777 0.435 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.550 -11.415 1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.216 -14.623 0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.366 -15.466 1.575 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.039 -12.504 2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.970 -14.263 2.747 1.00 0.00 H new ATOM 43 N VAL A 4 -3.933 -9.115 -3.912 1.00 0.00 N ATOM 44 CA VAL A 4 -3.156 -8.094 -4.594 1.00 0.00 C ATOM 45 C VAL A 4 -4.067 -7.316 -5.546 1.00 0.00 C ATOM 46 O VAL A 4 -3.850 -6.130 -5.786 1.00 0.00 O ATOM 47 CB VAL A 4 -1.958 -8.733 -5.301 1.00 0.00 C ATOM 48 CG1 VAL A 4 -2.355 -10.056 -5.962 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.348 -7.772 -6.321 1.00 0.00 C ATOM 0 H VAL A 4 -3.558 -10.060 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.751 -7.380 -3.877 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.199 -8.948 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.487 -10.490 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.722 -10.746 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.139 -9.875 -6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.499 -8.250 -6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.097 -7.512 -7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.013 -6.868 -5.813 1.00 0.00 H new ATOM 59 N LYS A 5 -5.066 -8.016 -6.061 1.00 0.00 N ATOM 60 CA LYS A 5 -6.011 -7.405 -6.981 1.00 0.00 C ATOM 61 C LYS A 5 -6.755 -6.276 -6.267 1.00 0.00 C ATOM 62 O LYS A 5 -6.691 -5.121 -6.688 1.00 0.00 O ATOM 63 CB LYS A 5 -6.935 -8.467 -7.582 1.00 0.00 C ATOM 64 CG LYS A 5 -7.983 -7.827 -8.495 1.00 0.00 C ATOM 65 CD LYS A 5 -7.456 -7.690 -9.924 1.00 0.00 C ATOM 66 CE LYS A 5 -8.598 -7.422 -10.907 1.00 0.00 C ATOM 67 NZ LYS A 5 -8.368 -6.153 -11.633 1.00 0.00 N ATOM 0 H LYS A 5 -5.242 -9.000 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.486 -6.957 -7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.346 -9.189 -8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.431 -9.017 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.889 -8.433 -8.495 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.256 -6.845 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.732 -6.877 -9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.931 -8.601 -10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.676 -8.245 -11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.545 -7.374 -10.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.152 -5.985 -12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.316 -5.368 -10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.474 -6.212 -12.161 1.00 0.00 H new ATOM 81 N ALA A 6 -7.443 -6.647 -5.197 1.00 0.00 N ATOM 82 CA ALA A 6 -8.198 -5.679 -4.419 1.00 0.00 C ATOM 83 C ALA A 6 -7.238 -4.638 -3.838 1.00 0.00 C ATOM 84 O ALA A 6 -7.669 -3.585 -3.371 1.00 0.00 O ATOM 85 CB ALA A 6 -8.996 -6.406 -3.335 1.00 0.00 C ATOM 0 H ALA A 6 -7.493 -7.605 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.913 -5.152 -5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.562 -5.680 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.683 -7.112 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.312 -6.944 -2.679 1.00 0.00 H new ATOM 91 N LEU A 7 -5.957 -4.970 -3.888 1.00 0.00 N ATOM 92 CA LEU A 7 -4.933 -4.076 -3.371 1.00 0.00 C ATOM 93 C LEU A 7 -4.545 -3.071 -4.458 1.00 0.00 C ATOM 94 O LEU A 7 -4.553 -1.864 -4.224 1.00 0.00 O ATOM 95 CB LEU A 7 -3.750 -4.877 -2.824 1.00 0.00 C ATOM 96 CG LEU A 7 -3.600 -4.894 -1.302 1.00 0.00 C ATOM 97 CD1 LEU A 7 -3.641 -3.475 -0.730 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.648 -5.802 -0.658 1.00 0.00 C ATOM 0 H LEU A 7 -5.604 -5.844 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.317 -3.502 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.841 -5.906 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.833 -4.475 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.622 -5.310 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.532 -3.516 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.826 -2.888 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.594 -3.009 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.519 -5.796 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.646 -5.440 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.528 -6.819 -1.032 1.00 0.00 H new ATOM 110 N GLU A 8 -4.214 -3.606 -5.625 1.00 0.00 N ATOM 111 CA GLU A 8 -3.823 -2.772 -6.748 1.00 0.00 C ATOM 112 C GLU A 8 -4.646 -1.482 -6.762 1.00 0.00 C ATOM 113 O GLU A 8 -4.153 -0.431 -7.168 1.00 0.00 O ATOM 114 CB GLU A 8 -3.968 -3.528 -8.070 1.00 0.00 C ATOM 115 CG GLU A 8 -3.345 -2.740 -9.224 1.00 0.00 C ATOM 116 CD GLU A 8 -4.254 -2.760 -10.455 1.00 0.00 C ATOM 117 OE1 GLU A 8 -5.362 -2.193 -10.351 1.00 0.00 O ATOM 118 OE2 GLU A 8 -3.818 -3.342 -11.472 1.00 0.00 O ATOM 0 H GLU A 8 -4.209 -4.608 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.772 -2.509 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.488 -4.503 -7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.023 -3.708 -8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.170 -1.710 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.374 -3.166 -9.477 1.00 0.00 H new ATOM 125 N GLU A 9 -5.887 -1.605 -6.313 1.00 0.00 N ATOM 126 CA GLU A 9 -6.783 -0.461 -6.269 1.00 0.00 C ATOM 127 C GLU A 9 -6.307 0.546 -5.221 1.00 0.00 C ATOM 128 O GLU A 9 -6.128 1.725 -5.525 1.00 0.00 O ATOM 129 CB GLU A 9 -8.221 -0.902 -5.991 1.00 0.00 C ATOM 130 CG GLU A 9 -9.219 -0.046 -6.772 1.00 0.00 C ATOM 131 CD GLU A 9 -9.402 1.323 -6.113 1.00 0.00 C ATOM 132 OE1 GLU A 9 -8.590 2.219 -6.432 1.00 0.00 O ATOM 133 OE2 GLU A 9 -10.349 1.442 -5.306 1.00 0.00 O ATOM 0 H GLU A 9 -6.293 -2.478 -5.977 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.768 0.025 -7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.343 -1.950 -6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.428 -0.826 -4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.869 0.083 -7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.179 -0.559 -6.826 1.00 0.00 H new ATOM 140 N LYS A 10 -6.114 0.046 -4.010 1.00 0.00 N ATOM 141 CA LYS A 10 -5.661 0.889 -2.915 1.00 0.00 C ATOM 142 C LYS A 10 -4.313 1.512 -3.282 1.00 0.00 C ATOM 143 O LYS A 10 -4.156 2.731 -3.236 1.00 0.00 O ATOM 144 CB LYS A 10 -5.638 0.099 -1.606 1.00 0.00 C ATOM 145 CG LYS A 10 -5.827 1.025 -0.403 1.00 0.00 C ATOM 146 CD LYS A 10 -7.267 1.539 -0.326 1.00 0.00 C ATOM 147 CE LYS A 10 -7.825 1.394 1.090 1.00 0.00 C ATOM 148 NZ LYS A 10 -7.913 -0.034 1.471 1.00 0.00 N ATOM 0 H LYS A 10 -6.263 -0.932 -3.762 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.358 1.711 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.426 -0.654 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.691 -0.433 -1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.578 0.491 0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.140 1.868 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.300 2.586 -0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.893 0.985 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.186 1.925 1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.812 1.853 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.690 -0.165 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.093 -0.609 0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.018 -0.333 1.908 1.00 0.00 H new ATOM 162 N VAL A 11 -3.373 0.647 -3.637 1.00 0.00 N ATOM 163 CA VAL A 11 -2.044 1.098 -4.011 1.00 0.00 C ATOM 164 C VAL A 11 -2.162 2.209 -5.055 1.00 0.00 C ATOM 165 O VAL A 11 -1.671 3.318 -4.846 1.00 0.00 O ATOM 166 CB VAL A 11 -1.206 -0.088 -4.491 1.00 0.00 C ATOM 167 CG1 VAL A 11 0.273 0.293 -4.598 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.395 -1.300 -3.576 1.00 0.00 C ATOM 0 H VAL A 11 -3.506 -0.364 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.526 1.517 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.554 -0.363 -5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.847 -0.568 -4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.387 1.112 -5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.640 0.607 -3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.788 -2.129 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.087 -1.042 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.445 -1.593 -3.573 1.00 0.00 H new ATOM 178 N LYS A 12 -2.815 1.874 -6.158 1.00 0.00 N ATOM 179 CA LYS A 12 -3.004 2.831 -7.236 1.00 0.00 C ATOM 180 C LYS A 12 -3.517 4.151 -6.657 1.00 0.00 C ATOM 181 O LYS A 12 -3.159 5.224 -7.138 1.00 0.00 O ATOM 182 CB LYS A 12 -3.907 2.242 -8.321 1.00 0.00 C ATOM 183 CG LYS A 12 -4.589 3.350 -9.127 1.00 0.00 C ATOM 184 CD LYS A 12 -4.651 2.989 -10.612 1.00 0.00 C ATOM 185 CE LYS A 12 -3.386 3.446 -11.341 1.00 0.00 C ATOM 186 NZ LYS A 12 -3.698 3.820 -12.738 1.00 0.00 N ATOM 0 H LYS A 12 -3.220 0.954 -6.329 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.054 3.046 -7.726 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.318 1.612 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.662 1.603 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.597 3.513 -8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.044 4.286 -8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.770 1.911 -10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.525 3.455 -11.067 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.947 4.297 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.644 2.647 -11.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.828 4.128 -13.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.096 2.999 -13.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.389 4.597 -12.743 1.00 0.00 H new ATOM 200 N ALA A 13 -4.349 4.026 -5.633 1.00 0.00 N ATOM 201 CA ALA A 13 -4.915 5.197 -4.984 1.00 0.00 C ATOM 202 C ALA A 13 -3.856 5.838 -4.084 1.00 0.00 C ATOM 203 O ALA A 13 -3.859 7.051 -3.884 1.00 0.00 O ATOM 204 CB ALA A 13 -6.172 4.792 -4.210 1.00 0.00 C ATOM 0 H ALA A 13 -4.644 3.133 -5.237 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.212 5.941 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.598 5.669 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.903 4.369 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.912 4.049 -3.456 1.00 0.00 H new ATOM 210 N LEU A 14 -2.977 4.993 -3.565 1.00 0.00 N ATOM 211 CA LEU A 14 -1.916 5.462 -2.690 1.00 0.00 C ATOM 212 C LEU A 14 -0.761 5.997 -3.540 1.00 0.00 C ATOM 213 O LEU A 14 0.283 6.372 -3.008 1.00 0.00 O ATOM 214 CB LEU A 14 -1.501 4.361 -1.713 1.00 0.00 C ATOM 215 CG LEU A 14 -2.486 4.063 -0.581 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.756 3.535 0.656 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.341 5.291 -0.261 1.00 0.00 C ATOM 0 H LEU A 14 -2.978 3.987 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.268 6.288 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.339 3.443 -2.278 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.543 4.636 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.163 3.277 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.479 3.331 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.227 2.616 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.041 4.281 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.033 5.052 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.695 6.114 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.905 5.583 -1.147 1.00 0.00 H new ATOM 229 N GLU A 15 -0.987 6.016 -4.845 1.00 0.00 N ATOM 230 CA GLU A 15 0.021 6.500 -5.773 1.00 0.00 C ATOM 231 C GLU A 15 -0.296 7.933 -6.201 1.00 0.00 C ATOM 232 O GLU A 15 0.558 8.816 -6.108 1.00 0.00 O ATOM 233 CB GLU A 15 0.135 5.577 -6.988 1.00 0.00 C ATOM 234 CG GLU A 15 1.574 5.526 -7.505 1.00 0.00 C ATOM 235 CD GLU A 15 1.694 6.227 -8.861 1.00 0.00 C ATOM 236 OE1 GLU A 15 1.001 7.253 -9.033 1.00 0.00 O ATOM 237 OE2 GLU A 15 2.478 5.721 -9.693 1.00 0.00 O ATOM 0 H GLU A 15 -1.854 5.704 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 15 0.985 6.499 -5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.194 4.573 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.527 5.928 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.240 6.002 -6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.894 4.488 -7.598 1.00 0.00 H new ATOM 244 N GLU A 16 -1.523 8.124 -6.661 1.00 0.00 N ATOM 245 CA GLU A 16 -1.962 9.436 -7.103 1.00 0.00 C ATOM 246 C GLU A 16 -2.069 10.390 -5.912 1.00 0.00 C ATOM 247 O GLU A 16 -1.752 11.572 -6.029 1.00 0.00 O ATOM 248 CB GLU A 16 -3.293 9.344 -7.852 1.00 0.00 C ATOM 249 CG GLU A 16 -3.396 10.434 -8.923 1.00 0.00 C ATOM 250 CD GLU A 16 -4.852 10.848 -9.145 1.00 0.00 C ATOM 251 OE1 GLU A 16 -5.604 10.010 -9.689 1.00 0.00 O ATOM 252 OE2 GLU A 16 -5.180 11.993 -8.766 1.00 0.00 O ATOM 0 H GLU A 16 -2.228 7.391 -6.737 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.219 9.832 -7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.386 8.362 -8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.119 9.442 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.809 11.302 -8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.971 10.071 -9.859 1.00 0.00 H new ATOM 259 N LYS A 17 -2.516 9.840 -4.793 1.00 0.00 N ATOM 260 CA LYS A 17 -2.668 10.626 -3.580 1.00 0.00 C ATOM 261 C LYS A 17 -1.285 10.970 -3.024 1.00 0.00 C ATOM 262 O LYS A 17 -0.911 12.140 -2.959 1.00 0.00 O ATOM 263 CB LYS A 17 -3.571 9.902 -2.580 1.00 0.00 C ATOM 264 CG LYS A 17 -5.037 10.289 -2.784 1.00 0.00 C ATOM 265 CD LYS A 17 -5.964 9.354 -2.005 1.00 0.00 C ATOM 266 CE LYS A 17 -6.715 10.113 -0.910 1.00 0.00 C ATOM 267 NZ LYS A 17 -8.118 9.648 -0.824 1.00 0.00 N ATOM 0 H LYS A 17 -2.778 8.859 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.168 11.570 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.456 8.824 -2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.264 10.148 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.194 11.317 -2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.283 10.250 -3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.678 8.893 -2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.382 8.547 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.218 9.966 0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.693 11.182 -1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.613 10.174 -0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.594 9.811 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.134 8.632 -0.602 1.00 0.00 H new ATOM 281 N VAL A 18 -0.562 9.930 -2.636 1.00 0.00 N ATOM 282 CA VAL A 18 0.771 10.106 -2.088 1.00 0.00 C ATOM 283 C VAL A 18 1.543 11.109 -2.947 1.00 0.00 C ATOM 284 O VAL A 18 2.264 11.957 -2.423 1.00 0.00 O ATOM 285 CB VAL A 18 1.474 8.753 -1.973 1.00 0.00 C ATOM 286 CG1 VAL A 18 2.957 8.931 -1.645 1.00 0.00 C ATOM 287 CG2 VAL A 18 0.785 7.864 -0.934 1.00 0.00 C ATOM 0 H VAL A 18 -0.875 8.961 -2.691 1.00 0.00 H new ATOM 0 HA VAL A 18 0.717 10.515 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 18 1.403 8.255 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.433 7.953 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.438 9.508 -2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.059 9.459 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.304 6.908 -0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.810 8.355 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.251 7.696 -1.229 1.00 0.00 H new ATOM 297 N LYS A 19 1.365 10.980 -4.254 1.00 0.00 N ATOM 298 CA LYS A 19 2.036 11.865 -5.191 1.00 0.00 C ATOM 299 C LYS A 19 1.354 13.234 -5.172 1.00 0.00 C ATOM 300 O LYS A 19 2.020 14.265 -5.256 1.00 0.00 O ATOM 301 CB LYS A 19 2.094 11.227 -6.581 1.00 0.00 C ATOM 302 CG LYS A 19 3.112 11.944 -7.471 1.00 0.00 C ATOM 303 CD LYS A 19 2.698 11.877 -8.942 1.00 0.00 C ATOM 304 CE LYS A 19 1.803 13.062 -9.314 1.00 0.00 C ATOM 305 NZ LYS A 19 0.410 12.610 -9.531 1.00 0.00 N ATOM 0 H LYS A 19 0.766 10.276 -4.686 1.00 0.00 H new ATOM 0 HA LYS A 19 3.073 12.021 -4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.362 10.174 -6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.108 11.267 -7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.201 12.985 -7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.095 11.489 -7.345 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.586 11.875 -9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.169 10.943 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.830 13.809 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.181 13.542 -10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.248 13.358 -9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.265 12.403 -10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.233 11.751 -8.972 1.00 0.00 H new ATOM 319 N ALA A 20 0.034 13.201 -5.058 1.00 0.00 N ATOM 320 CA ALA A 20 -0.745 14.427 -5.026 1.00 0.00 C ATOM 321 C ALA A 20 -0.253 15.308 -3.877 1.00 0.00 C ATOM 322 O ALA A 20 -0.127 16.523 -4.032 1.00 0.00 O ATOM 323 CB ALA A 20 -2.232 14.083 -4.901 1.00 0.00 C ATOM 0 H ALA A 20 -0.515 12.345 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.616 14.989 -5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.817 15.002 -4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.539 13.480 -5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.400 13.522 -3.982 1.00 0.00 H new ATOM 329 N LEU A 21 0.012 14.664 -2.750 1.00 0.00 N ATOM 330 CA LEU A 21 0.489 15.375 -1.575 1.00 0.00 C ATOM 331 C LEU A 21 1.645 16.294 -1.974 1.00 0.00 C ATOM 332 O LEU A 21 2.644 15.835 -2.525 1.00 0.00 O ATOM 333 CB LEU A 21 0.842 14.389 -0.459 1.00 0.00 C ATOM 334 CG LEU A 21 -0.009 13.120 -0.391 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.252 12.354 0.908 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.494 13.444 -0.576 1.00 0.00 C ATOM 0 H LEU A 21 -0.094 13.657 -2.625 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.297 16.011 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.886 14.097 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.762 14.908 0.496 1.00 0.00 H new ATOM 0 HG LEU A 21 0.284 12.468 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.365 11.456 0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.304 12.073 0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.004 12.987 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.076 12.524 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.819 14.125 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.646 13.914 -1.548 1.00 0.00 H new ATOM 348 N GLY A 22 1.470 17.574 -1.680 1.00 0.00 N ATOM 349 CA GLY A 22 2.488 18.560 -2.002 1.00 0.00 C ATOM 350 C GLY A 22 3.890 18.008 -1.741 1.00 0.00 C ATOM 351 O GLY A 22 4.851 18.408 -2.396 1.00 0.00 O ATOM 0 H GLY A 22 0.640 17.951 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.398 18.852 -3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.330 19.458 -1.405 1.00 0.00 H new ATOM 355 N GLY A 23 3.963 17.096 -0.782 1.00 0.00 N ATOM 356 CA GLY A 23 5.232 16.484 -0.427 1.00 0.00 C ATOM 357 C GLY A 23 6.230 17.534 0.062 1.00 0.00 C ATOM 358 O GLY A 23 5.900 18.717 0.149 1.00 0.00 O ATOM 0 H GLY A 23 3.164 16.766 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.074 15.737 0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.642 15.962 -1.291 1.00 0.00 H new ATOM 362 N GLY A 24 7.432 17.067 0.367 1.00 0.00 N ATOM 363 CA GLY A 24 8.481 17.952 0.843 1.00 0.00 C ATOM 364 C GLY A 24 8.836 17.646 2.299 1.00 0.00 C ATOM 365 O GLY A 24 9.296 18.524 3.028 1.00 0.00 O ATOM 0 H GLY A 24 7.703 16.086 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.367 17.841 0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.156 18.989 0.754 1.00 0.00 H new ATOM 369 N GLY A 25 8.610 16.398 2.681 1.00 0.00 N ATOM 370 CA GLY A 25 8.902 15.964 4.036 1.00 0.00 C ATOM 371 C GLY A 25 7.617 15.598 4.783 1.00 0.00 C ATOM 372 O GLY A 25 7.191 16.319 5.683 1.00 0.00 O ATOM 0 H GLY A 25 8.227 15.673 2.075 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.570 15.103 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.425 16.757 4.571 1.00 0.00 H new ATOM 376 N ARG A 26 7.037 14.477 4.380 1.00 0.00 N ATOM 377 CA ARG A 26 5.810 14.005 5.001 1.00 0.00 C ATOM 378 C ARG A 26 5.322 12.730 4.309 1.00 0.00 C ATOM 379 O ARG A 26 4.767 11.843 4.955 1.00 0.00 O ATOM 380 CB ARG A 26 4.712 15.068 4.927 1.00 0.00 C ATOM 381 CG ARG A 26 4.378 15.608 6.320 1.00 0.00 C ATOM 382 CD ARG A 26 4.177 17.124 6.286 1.00 0.00 C ATOM 383 NE ARG A 26 2.770 17.441 5.954 1.00 0.00 N ATOM 384 CZ ARG A 26 2.227 18.661 6.069 1.00 0.00 C ATOM 385 NH1 ARG A 26 2.970 19.686 6.510 1.00 0.00 N ATOM 386 NH2 ARG A 26 0.941 18.856 5.745 1.00 0.00 N ATOM 0 H ARG A 26 7.393 13.882 3.632 1.00 0.00 H new ATOM 0 HA ARG A 26 6.027 13.795 6.048 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.036 15.886 4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.817 14.641 4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.475 15.126 6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.182 15.360 7.013 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.437 17.555 7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.843 17.571 5.548 1.00 0.00 H new ATOM 0 HE ARG A 26 2.176 16.683 5.616 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.948 19.537 6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.557 20.615 6.598 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.375 18.076 5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.528 19.785 5.833 1.00 0.00 H new ATOM 400 N ILE A 27 5.547 12.680 3.004 1.00 0.00 N ATOM 401 CA ILE A 27 5.136 11.529 2.219 1.00 0.00 C ATOM 402 C ILE A 27 6.286 10.520 2.160 1.00 0.00 C ATOM 403 O ILE A 27 6.057 9.312 2.172 1.00 0.00 O ATOM 404 CB ILE A 27 4.637 11.970 0.841 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.334 13.256 0.391 1.00 0.00 C ATOM 406 CG2 ILE A 27 3.113 12.111 0.830 1.00 0.00 C ATOM 407 CD1 ILE A 27 4.907 13.644 -1.026 1.00 0.00 C ATOM 0 H ILE A 27 6.008 13.418 2.471 1.00 0.00 H new ATOM 0 HA ILE A 27 4.293 11.027 2.694 1.00 0.00 H new ATOM 0 HB ILE A 27 4.895 11.194 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.094 14.065 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.415 13.119 0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.784 12.425 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.657 11.152 1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.811 12.856 1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.417 14.561 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.170 12.844 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.829 13.804 -1.050 1.00 0.00 H new ATOM 419 N GLU A 28 7.497 11.054 2.100 1.00 0.00 N ATOM 420 CA GLU A 28 8.682 10.217 2.041 1.00 0.00 C ATOM 421 C GLU A 28 8.491 8.964 2.899 1.00 0.00 C ATOM 422 O GLU A 28 8.570 7.845 2.396 1.00 0.00 O ATOM 423 CB GLU A 28 9.926 10.994 2.477 1.00 0.00 C ATOM 424 CG GLU A 28 11.191 10.150 2.300 1.00 0.00 C ATOM 425 CD GLU A 28 11.574 10.040 0.823 1.00 0.00 C ATOM 426 OE1 GLU A 28 12.130 11.033 0.306 1.00 0.00 O ATOM 427 OE2 GLU A 28 11.303 8.965 0.245 1.00 0.00 O ATOM 0 H GLU A 28 7.683 12.057 2.091 1.00 0.00 H new ATOM 0 HA GLU A 28 8.831 9.907 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.011 11.910 1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.826 11.291 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.012 10.597 2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.029 9.154 2.713 1.00 0.00 H new ATOM 434 N GLU A 29 8.242 9.196 4.180 1.00 0.00 N ATOM 435 CA GLU A 29 8.039 8.100 5.112 1.00 0.00 C ATOM 436 C GLU A 29 7.064 7.077 4.526 1.00 0.00 C ATOM 437 O GLU A 29 7.471 5.994 4.111 1.00 0.00 O ATOM 438 CB GLU A 29 7.543 8.617 6.464 1.00 0.00 C ATOM 439 CG GLU A 29 7.783 7.583 7.567 1.00 0.00 C ATOM 440 CD GLU A 29 6.464 7.150 8.209 1.00 0.00 C ATOM 441 OE1 GLU A 29 5.822 6.245 7.631 1.00 0.00 O ATOM 442 OE2 GLU A 29 6.126 7.732 9.262 1.00 0.00 O ATOM 0 H GLU A 29 8.176 10.126 4.594 1.00 0.00 H new ATOM 0 HA GLU A 29 8.997 7.606 5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.056 9.546 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.479 8.848 6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.292 6.713 7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.441 8.003 8.328 1.00 0.00 H new ATOM 449 N LEU A 30 5.795 7.459 4.509 1.00 0.00 N ATOM 450 CA LEU A 30 4.758 6.589 3.979 1.00 0.00 C ATOM 451 C LEU A 30 5.198 6.051 2.616 1.00 0.00 C ATOM 452 O LEU A 30 4.965 4.886 2.300 1.00 0.00 O ATOM 453 CB LEU A 30 3.412 7.315 3.949 1.00 0.00 C ATOM 454 CG LEU A 30 3.362 8.600 3.122 1.00 0.00 C ATOM 455 CD1 LEU A 30 3.341 8.288 1.624 1.00 0.00 C ATOM 456 CD2 LEU A 30 2.180 9.477 3.541 1.00 0.00 C ATOM 0 H LEU A 30 5.461 8.359 4.854 1.00 0.00 H new ATOM 0 HA LEU A 30 4.614 5.727 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.660 6.628 3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.128 7.555 4.974 1.00 0.00 H new ATOM 0 HG LEU A 30 4.271 9.168 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.305 9.219 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.241 7.734 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.462 7.688 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.168 10.384 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.250 8.929 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.279 9.743 4.593 1.00 0.00 H new ATOM 468 N LYS A 31 5.825 6.927 1.844 1.00 0.00 N ATOM 469 CA LYS A 31 6.298 6.555 0.522 1.00 0.00 C ATOM 470 C LYS A 31 7.308 5.413 0.649 1.00 0.00 C ATOM 471 O LYS A 31 7.387 4.549 -0.224 1.00 0.00 O ATOM 472 CB LYS A 31 6.845 7.780 -0.216 1.00 0.00 C ATOM 473 CG LYS A 31 5.765 8.419 -1.090 1.00 0.00 C ATOM 474 CD LYS A 31 6.356 8.925 -2.409 1.00 0.00 C ATOM 475 CE LYS A 31 6.482 7.789 -3.424 1.00 0.00 C ATOM 476 NZ LYS A 31 7.803 7.832 -4.089 1.00 0.00 N ATOM 0 H LYS A 31 6.016 7.893 2.109 1.00 0.00 H new ATOM 0 HA LYS A 31 5.473 6.186 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.213 8.510 0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.693 7.488 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.980 7.691 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.301 9.247 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.723 9.713 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.336 9.365 -2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.352 6.830 -2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.690 7.870 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.872 7.054 -4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.913 8.740 -4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.554 7.733 -3.376 1.00 0.00 H new ATOM 490 N LYS A 32 8.055 5.445 1.743 1.00 0.00 N ATOM 491 CA LYS A 32 9.057 4.423 1.995 1.00 0.00 C ATOM 492 C LYS A 32 8.368 3.062 2.127 1.00 0.00 C ATOM 493 O LYS A 32 8.660 2.140 1.367 1.00 0.00 O ATOM 494 CB LYS A 32 9.912 4.798 3.207 1.00 0.00 C ATOM 495 CG LYS A 32 10.489 6.207 3.054 1.00 0.00 C ATOM 496 CD LYS A 32 11.997 6.212 3.315 1.00 0.00 C ATOM 497 CE LYS A 32 12.780 6.068 2.009 1.00 0.00 C ATOM 498 NZ LYS A 32 14.168 5.633 2.282 1.00 0.00 N ATOM 0 H LYS A 32 7.986 6.162 2.465 1.00 0.00 H new ATOM 0 HA LYS A 32 9.748 4.352 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.309 4.744 4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.723 4.079 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.289 6.579 2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.993 6.885 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.280 7.139 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.256 5.396 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.287 5.344 1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.789 7.019 1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.686 5.540 1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.641 6.338 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.154 4.715 2.770 1.00 0.00 H new ATOM 512 N LYS A 33 7.469 2.981 3.096 1.00 0.00 N ATOM 513 CA LYS A 33 6.737 1.749 3.337 1.00 0.00 C ATOM 514 C LYS A 33 5.916 1.397 2.094 1.00 0.00 C ATOM 515 O LYS A 33 5.772 0.224 1.752 1.00 0.00 O ATOM 516 CB LYS A 33 5.902 1.862 4.613 1.00 0.00 C ATOM 517 CG LYS A 33 6.784 2.199 5.818 1.00 0.00 C ATOM 518 CD LYS A 33 6.537 1.222 6.968 1.00 0.00 C ATOM 519 CE LYS A 33 7.748 0.310 7.184 1.00 0.00 C ATOM 520 NZ LYS A 33 8.528 0.755 8.360 1.00 0.00 N ATOM 0 H LYS A 33 7.230 3.749 3.724 1.00 0.00 H new ATOM 0 HA LYS A 33 7.428 0.923 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.142 2.633 4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.377 0.924 4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.834 2.165 5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.579 3.217 6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.328 1.777 7.883 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.656 0.617 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.415 -0.718 7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.380 0.319 6.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.346 0.126 8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.861 1.728 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.926 0.724 9.208 1.00 0.00 H new ATOM 534 N TRP A 34 5.401 2.435 1.452 1.00 0.00 N ATOM 535 CA TRP A 34 4.597 2.250 0.255 1.00 0.00 C ATOM 536 C TRP A 34 5.450 1.508 -0.776 1.00 0.00 C ATOM 537 O TRP A 34 4.921 0.795 -1.628 1.00 0.00 O ATOM 538 CB TRP A 34 4.067 3.590 -0.261 1.00 0.00 C ATOM 539 CG TRP A 34 4.140 3.743 -1.782 1.00 0.00 C ATOM 540 CD1 TRP A 34 5.190 4.120 -2.524 1.00 0.00 C ATOM 541 CD2 TRP A 34 3.070 3.507 -2.721 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.877 4.143 -3.868 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.548 3.759 -3.992 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.744 3.094 -2.506 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.764 3.626 -5.145 1.00 0.00 C ATOM 546 CZ3 TRP A 34 0.974 2.967 -3.669 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.440 3.217 -4.954 1.00 0.00 C ATOM 0 H TRP A 34 5.524 3.406 1.737 1.00 0.00 H new ATOM 0 HA TRP A 34 3.713 1.651 0.472 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.031 3.706 0.056 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.635 4.397 0.203 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.159 4.374 -2.121 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.506 4.396 -4.630 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.350 2.891 -1.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.161 3.828 -6.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.053 2.653 -3.559 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.782 3.096 -5.802 1.00 0.00 H new ATOM 558 N GLU A 35 6.756 1.699 -0.665 1.00 0.00 N ATOM 559 CA GLU A 35 7.687 1.056 -1.577 1.00 0.00 C ATOM 560 C GLU A 35 7.895 -0.407 -1.179 1.00 0.00 C ATOM 561 O GLU A 35 8.043 -1.273 -2.040 1.00 0.00 O ATOM 562 CB GLU A 35 9.020 1.808 -1.620 1.00 0.00 C ATOM 563 CG GLU A 35 9.279 2.384 -3.013 1.00 0.00 C ATOM 564 CD GLU A 35 10.024 1.377 -3.893 1.00 0.00 C ATOM 565 OE1 GLU A 35 11.258 1.278 -3.721 1.00 0.00 O ATOM 566 OE2 GLU A 35 9.343 0.731 -4.717 1.00 0.00 O ATOM 0 H GLU A 35 7.192 2.290 0.043 1.00 0.00 H new ATOM 0 HA GLU A 35 7.260 1.082 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.011 2.613 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.831 1.134 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.332 2.651 -3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.863 3.301 -2.929 1.00 0.00 H new ATOM 573 N GLU A 36 7.897 -0.638 0.125 1.00 0.00 N ATOM 574 CA GLU A 36 8.084 -1.981 0.647 1.00 0.00 C ATOM 575 C GLU A 36 6.746 -2.721 0.699 1.00 0.00 C ATOM 576 O GLU A 36 6.714 -3.941 0.853 1.00 0.00 O ATOM 577 CB GLU A 36 8.744 -1.946 2.027 1.00 0.00 C ATOM 578 CG GLU A 36 9.584 -0.679 2.202 1.00 0.00 C ATOM 579 CD GLU A 36 10.674 -0.884 3.255 1.00 0.00 C ATOM 580 OE1 GLU A 36 10.315 -1.337 4.363 1.00 0.00 O ATOM 581 OE2 GLU A 36 11.843 -0.582 2.928 1.00 0.00 O ATOM 0 H GLU A 36 7.772 0.082 0.836 1.00 0.00 H new ATOM 0 HA GLU A 36 8.751 -2.521 -0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.978 -1.988 2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.375 -2.825 2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.040 -0.406 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.941 0.150 2.496 1.00 0.00 H new ATOM 588 N LEU A 37 5.675 -1.952 0.566 1.00 0.00 N ATOM 589 CA LEU A 37 4.338 -2.519 0.595 1.00 0.00 C ATOM 590 C LEU A 37 3.973 -3.024 -0.803 1.00 0.00 C ATOM 591 O LEU A 37 3.609 -4.188 -0.970 1.00 0.00 O ATOM 592 CB LEU A 37 3.340 -1.510 1.165 1.00 0.00 C ATOM 593 CG LEU A 37 2.022 -1.365 0.401 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.213 -2.663 0.452 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.219 -0.169 0.915 1.00 0.00 C ATOM 0 H LEU A 37 5.706 -0.941 0.438 1.00 0.00 H new ATOM 0 HA LEU A 37 4.303 -3.379 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.112 -1.795 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.823 -0.534 1.205 1.00 0.00 H new ATOM 0 HG LEU A 37 2.254 -1.171 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.281 -2.533 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.791 -3.470 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.990 -2.912 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.287 -0.089 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.996 -0.308 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.801 0.743 0.784 1.00 0.00 H new ATOM 607 N LYS A 38 4.081 -2.125 -1.768 1.00 0.00 N ATOM 608 CA LYS A 38 3.766 -2.464 -3.146 1.00 0.00 C ATOM 609 C LYS A 38 4.583 -3.688 -3.564 1.00 0.00 C ATOM 610 O LYS A 38 4.116 -4.511 -4.349 1.00 0.00 O ATOM 611 CB LYS A 38 3.967 -1.250 -4.056 1.00 0.00 C ATOM 612 CG LYS A 38 3.868 -1.649 -5.530 1.00 0.00 C ATOM 613 CD LYS A 38 4.971 -0.981 -6.353 1.00 0.00 C ATOM 614 CE LYS A 38 4.730 0.525 -6.474 1.00 0.00 C ATOM 615 NZ LYS A 38 3.839 0.818 -7.617 1.00 0.00 N ATOM 0 H LYS A 38 4.382 -1.161 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 38 2.714 -2.734 -3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.217 -0.492 -3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.941 -0.802 -3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.945 -2.732 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.892 -1.364 -5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.939 -1.161 -5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.009 -1.428 -7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.286 0.903 -5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.681 1.042 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.686 1.845 -7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.277 0.475 -8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.926 0.341 -7.476 1.00 0.00 H new ATOM 629 N LYS A 39 5.789 -3.768 -3.021 1.00 0.00 N ATOM 630 CA LYS A 39 6.675 -4.878 -3.329 1.00 0.00 C ATOM 631 C LYS A 39 6.117 -6.159 -2.705 1.00 0.00 C ATOM 632 O LYS A 39 6.420 -7.260 -3.163 1.00 0.00 O ATOM 633 CB LYS A 39 8.107 -4.556 -2.896 1.00 0.00 C ATOM 634 CG LYS A 39 9.124 -5.297 -3.767 1.00 0.00 C ATOM 635 CD LYS A 39 10.237 -5.908 -2.913 1.00 0.00 C ATOM 636 CE LYS A 39 11.539 -5.118 -3.062 1.00 0.00 C ATOM 637 NZ LYS A 39 12.671 -5.872 -2.482 1.00 0.00 N ATOM 0 H LYS A 39 6.173 -3.083 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 39 6.721 -5.042 -4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.278 -3.482 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.246 -4.835 -1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.621 -6.082 -4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.555 -4.609 -4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.932 -5.920 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.400 -6.944 -3.209 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.730 -4.916 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.445 -4.153 -2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.547 -5.322 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.493 -6.043 -1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.770 -6.783 -2.975 1.00 0.00 H new ATOM 651 N LYS A 40 5.311 -5.973 -1.670 1.00 0.00 N ATOM 652 CA LYS A 40 4.708 -7.100 -0.979 1.00 0.00 C ATOM 653 C LYS A 40 3.481 -7.574 -1.761 1.00 0.00 C ATOM 654 O LYS A 40 3.269 -8.774 -1.920 1.00 0.00 O ATOM 655 CB LYS A 40 4.407 -6.737 0.475 1.00 0.00 C ATOM 656 CG LYS A 40 5.609 -7.035 1.375 1.00 0.00 C ATOM 657 CD LYS A 40 5.515 -6.260 2.691 1.00 0.00 C ATOM 658 CE LYS A 40 6.904 -6.013 3.283 1.00 0.00 C ATOM 659 NZ LYS A 40 6.811 -5.154 4.484 1.00 0.00 N ATOM 0 H LYS A 40 5.061 -5.059 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 40 5.404 -7.938 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.150 -5.680 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.540 -7.299 0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.657 -8.104 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.530 -6.769 0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.014 -5.307 2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.906 -6.818 3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.369 -6.964 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.544 -5.539 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.763 -4.997 4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.387 -4.240 4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.218 -5.621 5.199 1.00 0.00 H new ATOM 673 N ILE A 41 2.706 -6.606 -2.228 1.00 0.00 N ATOM 674 CA ILE A 41 1.506 -6.910 -2.989 1.00 0.00 C ATOM 675 C ILE A 41 1.895 -7.646 -4.272 1.00 0.00 C ATOM 676 O ILE A 41 1.050 -8.273 -4.912 1.00 0.00 O ATOM 677 CB ILE A 41 0.690 -5.639 -3.232 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.703 -4.735 -1.998 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.734 -5.979 -3.679 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.460 -3.741 -2.034 1.00 0.00 C ATOM 0 H ILE A 41 2.886 -5.611 -2.094 1.00 0.00 H new ATOM 0 HA ILE A 41 0.854 -7.576 -2.424 1.00 0.00 H new ATOM 0 HB ILE A 41 1.158 -5.082 -4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.638 -5.344 -1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.648 -4.193 -1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.293 -5.058 -3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.697 -6.553 -4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.227 -6.568 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.427 -3.111 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.378 -3.118 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.404 -4.286 -2.058 1.00 0.00 H new ATOM 692 N GLU A 42 3.171 -7.546 -4.612 1.00 0.00 N ATOM 693 CA GLU A 42 3.681 -8.195 -5.807 1.00 0.00 C ATOM 694 C GLU A 42 3.883 -9.691 -5.555 1.00 0.00 C ATOM 695 O GLU A 42 3.358 -10.524 -6.291 1.00 0.00 O ATOM 696 CB GLU A 42 4.981 -7.538 -6.275 1.00 0.00 C ATOM 697 CG GLU A 42 4.742 -6.667 -7.509 1.00 0.00 C ATOM 698 CD GLU A 42 5.199 -7.381 -8.783 1.00 0.00 C ATOM 699 OE1 GLU A 42 6.421 -7.359 -9.038 1.00 0.00 O ATOM 700 OE2 GLU A 42 4.314 -7.933 -9.471 1.00 0.00 O ATOM 0 H GLU A 42 3.868 -7.025 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 42 2.945 -8.077 -6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.395 -6.930 -5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.719 -8.307 -6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.683 -6.422 -7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.280 -5.725 -7.403 1.00 0.00 H new ATOM 707 N GLU A 43 4.644 -9.985 -4.511 1.00 0.00 N ATOM 708 CA GLU A 43 4.922 -11.365 -4.152 1.00 0.00 C ATOM 709 C GLU A 43 3.663 -12.030 -3.590 1.00 0.00 C ATOM 710 O GLU A 43 3.614 -13.251 -3.445 1.00 0.00 O ATOM 711 CB GLU A 43 6.079 -11.451 -3.155 1.00 0.00 C ATOM 712 CG GLU A 43 7.310 -12.093 -3.798 1.00 0.00 C ATOM 713 CD GLU A 43 8.152 -12.831 -2.754 1.00 0.00 C ATOM 714 OE1 GLU A 43 7.637 -13.836 -2.218 1.00 0.00 O ATOM 715 OE2 GLU A 43 9.290 -12.372 -2.517 1.00 0.00 O ATOM 0 H GLU A 43 5.077 -9.291 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 43 5.222 -11.901 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.330 -10.453 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.773 -12.033 -2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.997 -12.789 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.914 -11.325 -4.281 1.00 0.00 H new ATOM 722 N LEU A 44 2.676 -11.199 -3.290 1.00 0.00 N ATOM 723 CA LEU A 44 1.423 -11.691 -2.747 1.00 0.00 C ATOM 724 C LEU A 44 0.992 -12.940 -3.520 1.00 0.00 C ATOM 725 O LEU A 44 0.440 -12.836 -4.614 1.00 0.00 O ATOM 726 CB LEU A 44 0.370 -10.581 -2.737 1.00 0.00 C ATOM 727 CG LEU A 44 0.243 -9.789 -1.434 1.00 0.00 C ATOM 728 CD1 LEU A 44 -0.914 -8.791 -1.510 1.00 0.00 C ATOM 729 CD2 LEU A 44 0.113 -10.728 -0.233 1.00 0.00 C ATOM 0 H LEU A 44 2.719 -10.187 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 44 1.550 -11.988 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.599 -9.883 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.599 -11.025 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 44 1.157 -9.212 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.982 -8.241 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.739 -8.092 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.846 -9.328 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.024 -10.140 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.774 -11.350 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.996 -11.364 -0.171 1.00 0.00 H new ATOM 769 N GLU A 49 -0.109 -14.083 3.861 1.00 0.00 N ATOM 770 CA GLU A 49 0.309 -13.118 4.864 1.00 0.00 C ATOM 771 C GLU A 49 -0.016 -11.696 4.400 1.00 0.00 C ATOM 772 O GLU A 49 0.669 -10.745 4.774 1.00 0.00 O ATOM 773 CB GLU A 49 1.799 -13.264 5.180 1.00 0.00 C ATOM 774 CG GLU A 49 2.057 -14.504 6.040 1.00 0.00 C ATOM 775 CD GLU A 49 3.531 -14.594 6.442 1.00 0.00 C ATOM 776 OE1 GLU A 49 4.371 -14.618 5.516 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.784 -14.638 7.665 1.00 0.00 O ATOM 0 HA GLU A 49 -0.244 -13.316 5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.366 -13.336 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.153 -12.375 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.434 -14.468 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.771 -15.400 5.488 1.00 0.00 H new ATOM 784 N VAL A 50 -1.061 -11.596 3.593 1.00 0.00 N ATOM 785 CA VAL A 50 -1.486 -10.307 3.074 1.00 0.00 C ATOM 786 C VAL A 50 -1.763 -9.358 4.242 1.00 0.00 C ATOM 787 O VAL A 50 -1.553 -8.151 4.130 1.00 0.00 O ATOM 788 CB VAL A 50 -2.692 -10.485 2.151 1.00 0.00 C ATOM 789 CG1 VAL A 50 -3.072 -9.162 1.483 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.426 -11.569 1.104 1.00 0.00 C ATOM 0 H VAL A 50 -1.627 -12.387 3.285 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.696 -9.860 2.471 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.535 -10.807 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.932 -9.317 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.323 -8.427 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.231 -8.798 0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.299 -11.676 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.563 -11.288 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.226 -12.517 1.604 1.00 0.00 H new ATOM 800 N LYS A 51 -2.229 -9.939 5.337 1.00 0.00 N ATOM 801 CA LYS A 51 -2.537 -9.161 6.525 1.00 0.00 C ATOM 802 C LYS A 51 -1.496 -8.051 6.686 1.00 0.00 C ATOM 803 O LYS A 51 -1.805 -6.974 7.193 1.00 0.00 O ATOM 804 CB LYS A 51 -2.657 -10.073 7.747 1.00 0.00 C ATOM 805 CG LYS A 51 -4.107 -10.516 7.960 1.00 0.00 C ATOM 806 CD LYS A 51 -4.313 -11.958 7.492 1.00 0.00 C ATOM 807 CE LYS A 51 -5.181 -12.007 6.233 1.00 0.00 C ATOM 808 NZ LYS A 51 -6.420 -12.776 6.487 1.00 0.00 N ATOM 0 H LYS A 51 -2.401 -10.940 5.427 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.508 -8.676 6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.021 -10.948 7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.299 -9.549 8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.366 -10.432 9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.778 -9.853 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.347 -12.420 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.784 -12.538 8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.433 -10.994 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.623 -12.465 5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.997 -12.799 5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.175 -13.747 6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.960 -12.322 7.252 1.00 0.00 H new ATOM 822 N LYS A 52 -0.283 -8.354 6.245 1.00 0.00 N ATOM 823 CA LYS A 52 0.805 -7.395 6.335 1.00 0.00 C ATOM 824 C LYS A 52 0.575 -6.272 5.320 1.00 0.00 C ATOM 825 O LYS A 52 0.476 -5.104 5.694 1.00 0.00 O ATOM 826 CB LYS A 52 2.154 -8.099 6.176 1.00 0.00 C ATOM 827 CG LYS A 52 2.852 -8.258 7.528 1.00 0.00 C ATOM 828 CD LYS A 52 4.208 -8.949 7.367 1.00 0.00 C ATOM 829 CE LYS A 52 4.251 -10.261 8.153 1.00 0.00 C ATOM 830 NZ LYS A 52 5.508 -10.991 7.873 1.00 0.00 N ATOM 0 H LYS A 52 -0.030 -9.249 5.825 1.00 0.00 H new ATOM 0 HA LYS A 52 0.826 -6.934 7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.006 -9.079 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.789 -7.527 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.991 -7.279 7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.221 -8.839 8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.397 -9.147 6.312 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.001 -8.287 7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.173 -10.055 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.396 -10.881 7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.522 -11.879 8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.567 -11.204 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.320 -10.404 8.151 1.00 0.00 H new ATOM 844 N VAL A 53 0.496 -6.666 4.058 1.00 0.00 N ATOM 845 CA VAL A 53 0.280 -5.707 2.988 1.00 0.00 C ATOM 846 C VAL A 53 -0.797 -4.707 3.415 1.00 0.00 C ATOM 847 O VAL A 53 -0.508 -3.527 3.614 1.00 0.00 O ATOM 848 CB VAL A 53 -0.067 -6.440 1.691 1.00 0.00 C ATOM 849 CG1 VAL A 53 -0.975 -5.586 0.803 1.00 0.00 C ATOM 850 CG2 VAL A 53 1.199 -6.857 0.941 1.00 0.00 C ATOM 0 H VAL A 53 0.578 -7.636 3.752 1.00 0.00 H new ATOM 0 HA VAL A 53 1.191 -5.141 2.793 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.613 -7.346 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.206 -6.131 -0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.899 -5.363 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.467 -4.655 0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.924 -7.376 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.785 -5.971 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.792 -7.521 1.569 1.00 0.00 H new ATOM 860 N GLU A 54 -2.014 -5.214 3.543 1.00 0.00 N ATOM 861 CA GLU A 54 -3.134 -4.380 3.944 1.00 0.00 C ATOM 862 C GLU A 54 -2.701 -3.395 5.031 1.00 0.00 C ATOM 863 O GLU A 54 -2.645 -2.189 4.795 1.00 0.00 O ATOM 864 CB GLU A 54 -4.312 -5.234 4.416 1.00 0.00 C ATOM 865 CG GLU A 54 -4.669 -6.299 3.376 1.00 0.00 C ATOM 866 CD GLU A 54 -6.108 -6.126 2.885 1.00 0.00 C ATOM 867 OE1 GLU A 54 -7.004 -6.701 3.540 1.00 0.00 O ATOM 868 OE2 GLU A 54 -6.278 -5.423 1.865 1.00 0.00 O ATOM 0 H GLU A 54 -2.249 -6.192 3.376 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.465 -3.810 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.062 -5.714 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.177 -4.597 4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.983 -6.232 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.546 -7.291 3.810 1.00 0.00 H new ATOM 875 N GLU A 55 -2.405 -3.945 6.199 1.00 0.00 N ATOM 876 CA GLU A 55 -1.979 -3.130 7.324 1.00 0.00 C ATOM 877 C GLU A 55 -0.968 -2.078 6.863 1.00 0.00 C ATOM 878 O GLU A 55 -0.913 -0.981 7.418 1.00 0.00 O ATOM 879 CB GLU A 55 -1.395 -3.999 8.441 1.00 0.00 C ATOM 880 CG GLU A 55 -2.243 -3.899 9.711 1.00 0.00 C ATOM 881 CD GLU A 55 -1.366 -3.984 10.963 1.00 0.00 C ATOM 882 OE1 GLU A 55 -0.362 -3.240 11.003 1.00 0.00 O ATOM 883 OE2 GLU A 55 -1.719 -4.789 11.850 1.00 0.00 O ATOM 0 H GLU A 55 -2.452 -4.946 6.391 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.852 -2.616 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.347 -5.037 8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.374 -3.685 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.794 -2.959 9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.981 -4.701 9.724 1.00 0.00 H new ATOM 890 N GLU A 56 -0.193 -2.449 5.855 1.00 0.00 N ATOM 891 CA GLU A 56 0.812 -1.550 5.314 1.00 0.00 C ATOM 892 C GLU A 56 0.147 -0.434 4.506 1.00 0.00 C ATOM 893 O GLU A 56 0.544 0.727 4.602 1.00 0.00 O ATOM 894 CB GLU A 56 1.827 -2.313 4.460 1.00 0.00 C ATOM 895 CG GLU A 56 3.251 -1.825 4.734 1.00 0.00 C ATOM 896 CD GLU A 56 3.561 -1.847 6.233 1.00 0.00 C ATOM 897 OE1 GLU A 56 3.668 -2.969 6.773 1.00 0.00 O ATOM 898 OE2 GLU A 56 3.681 -0.743 6.804 1.00 0.00 O ATOM 0 H GLU A 56 -0.241 -3.360 5.399 1.00 0.00 H new ATOM 0 HA GLU A 56 1.352 -1.098 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.757 -3.380 4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.591 -2.182 3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.964 -2.456 4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.372 -0.813 4.349 1.00 0.00 H new ATOM 905 N VAL A 57 -0.854 -0.823 3.730 1.00 0.00 N ATOM 906 CA VAL A 57 -1.578 0.130 2.908 1.00 0.00 C ATOM 907 C VAL A 57 -2.439 1.021 3.805 1.00 0.00 C ATOM 908 O VAL A 57 -2.873 2.094 3.388 1.00 0.00 O ATOM 909 CB VAL A 57 -2.389 -0.608 1.842 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.697 0.307 0.655 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.667 -1.877 1.384 1.00 0.00 C ATOM 0 H VAL A 57 -1.180 -1.786 3.654 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.883 0.780 2.376 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.337 -0.906 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.274 -0.243 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.272 1.167 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.764 0.650 0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.265 -2.383 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.697 -1.612 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.524 -2.542 2.236 1.00 0.00 H new ATOM 921 N LYS A 58 -2.661 0.544 5.021 1.00 0.00 N ATOM 922 CA LYS A 58 -3.463 1.283 5.981 1.00 0.00 C ATOM 923 C LYS A 58 -2.640 2.446 6.538 1.00 0.00 C ATOM 924 O LYS A 58 -3.067 3.598 6.479 1.00 0.00 O ATOM 925 CB LYS A 58 -4.011 0.345 7.058 1.00 0.00 C ATOM 926 CG LYS A 58 -5.357 0.842 7.586 1.00 0.00 C ATOM 927 CD LYS A 58 -6.480 -0.134 7.232 1.00 0.00 C ATOM 928 CE LYS A 58 -7.038 -0.807 8.488 1.00 0.00 C ATOM 929 NZ LYS A 58 -7.167 -2.266 8.282 1.00 0.00 N ATOM 0 H LYS A 58 -2.299 -0.346 5.364 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.337 1.715 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.126 -0.658 6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.298 0.273 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.304 0.964 8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.577 1.823 7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.279 0.397 6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.104 -0.892 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.381 -0.610 9.335 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.011 -0.381 8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.547 -2.706 9.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.812 -2.449 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.233 -2.671 8.070 1.00 0.00 H new ATOM 943 N LYS A 59 -1.474 2.103 7.067 1.00 0.00 N ATOM 944 CA LYS A 59 -0.587 3.105 7.635 1.00 0.00 C ATOM 945 C LYS A 59 -0.591 4.348 6.743 1.00 0.00 C ATOM 946 O LYS A 59 -0.405 5.463 7.227 1.00 0.00 O ATOM 947 CB LYS A 59 0.807 2.517 7.864 1.00 0.00 C ATOM 948 CG LYS A 59 1.624 3.398 8.811 1.00 0.00 C ATOM 949 CD LYS A 59 2.954 3.803 8.173 1.00 0.00 C ATOM 950 CE LYS A 59 2.753 4.921 7.149 1.00 0.00 C ATOM 951 NZ LYS A 59 2.718 6.239 7.819 1.00 0.00 N ATOM 0 H LYS A 59 -1.123 1.146 7.114 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.943 3.416 8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.719 1.514 8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.327 2.422 6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.053 4.290 9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.811 2.862 9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.647 4.134 8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.407 2.938 7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.560 4.900 6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.823 4.759 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.182 6.912 7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.258 6.145 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.689 6.589 7.948 1.00 0.00 H new ATOM 965 N LEU A 60 -0.805 4.114 5.457 1.00 0.00 N ATOM 966 CA LEU A 60 -0.837 5.201 4.493 1.00 0.00 C ATOM 967 C LEU A 60 -2.152 5.969 4.638 1.00 0.00 C ATOM 968 O LEU A 60 -2.162 7.108 5.100 1.00 0.00 O ATOM 969 CB LEU A 60 -0.586 4.671 3.080 1.00 0.00 C ATOM 970 CG LEU A 60 0.877 4.615 2.635 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.250 3.209 2.157 1.00 0.00 C ATOM 972 CD2 LEU A 60 1.168 5.676 1.572 1.00 0.00 C ATOM 0 H LEU A 60 -0.958 3.187 5.060 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.032 5.909 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.005 3.667 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.136 5.296 2.376 1.00 0.00 H new ATOM 0 HG LEU A 60 1.505 4.841 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.295 3.196 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.104 2.498 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.617 2.931 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.214 5.614 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.532 5.505 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.965 6.666 1.981 1.00 0.00 H new ATOM 984 N GLU A 61 -3.230 5.312 4.235 1.00 0.00 N ATOM 985 CA GLU A 61 -4.549 5.919 4.315 1.00 0.00 C ATOM 986 C GLU A 61 -4.659 6.788 5.568 1.00 0.00 C ATOM 987 O GLU A 61 -5.005 7.965 5.483 1.00 0.00 O ATOM 988 CB GLU A 61 -5.645 4.851 4.290 1.00 0.00 C ATOM 989 CG GLU A 61 -5.773 4.230 2.897 1.00 0.00 C ATOM 990 CD GLU A 61 -7.139 4.542 2.282 1.00 0.00 C ATOM 991 OE1 GLU A 61 -8.101 4.667 3.069 1.00 0.00 O ATOM 992 OE2 GLU A 61 -7.189 4.649 1.037 1.00 0.00 O ATOM 0 H GLU A 61 -3.218 4.367 3.853 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.688 6.557 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.417 4.074 5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.597 5.294 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.983 4.612 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.637 3.150 2.962 1.00 0.00 H new ATOM 999 N GLU A 62 -4.358 6.174 6.704 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.418 6.878 7.974 1.00 0.00 C ATOM 1001 C GLU A 62 -3.618 8.180 7.897 1.00 0.00 C ATOM 1002 O GLU A 62 -4.181 9.266 8.025 1.00 0.00 O ATOM 1003 CB GLU A 62 -3.915 5.992 9.116 1.00 0.00 C ATOM 1004 CG GLU A 62 -5.077 5.512 9.989 1.00 0.00 C ATOM 1005 CD GLU A 62 -5.691 4.228 9.427 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -4.911 3.280 9.193 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -6.928 4.223 9.244 1.00 0.00 O ATOM 0 H GLU A 62 -4.072 5.197 6.771 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.459 7.126 8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.383 5.133 8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.202 6.548 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.725 5.336 11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.839 6.289 10.046 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.318 8.027 7.691 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.436 9.178 7.596 1.00 0.00 C ATOM 1016 C GLU A 63 -1.893 10.106 6.468 1.00 0.00 C ATOM 1017 O GLU A 63 -2.168 11.282 6.701 1.00 0.00 O ATOM 1018 CB GLU A 63 0.016 8.740 7.393 1.00 0.00 C ATOM 1019 CG GLU A 63 0.962 9.550 8.281 1.00 0.00 C ATOM 1020 CD GLU A 63 2.284 9.828 7.564 1.00 0.00 C ATOM 1021 OE1 GLU A 63 2.219 10.408 6.458 1.00 0.00 O ATOM 1022 OE2 GLU A 63 3.331 9.455 8.136 1.00 0.00 O ATOM 0 H GLU A 63 -1.855 7.124 7.587 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.487 9.729 8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.115 7.679 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.295 8.867 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.489 10.492 8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.153 9.006 9.206 1.00 0.00 H new ATOM 1029 N ILE A 64 -1.959 9.542 5.272 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.377 10.304 4.107 1.00 0.00 C ATOM 1031 C ILE A 64 -3.641 11.095 4.448 1.00 0.00 C ATOM 1032 O ILE A 64 -3.730 12.287 4.156 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.534 9.385 2.894 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -1.247 8.603 2.627 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -2.990 10.174 1.665 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -1.109 8.264 1.142 1.00 0.00 C ATOM 0 H ILE A 64 -1.730 8.566 5.084 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.612 11.029 3.831 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.313 8.656 3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.387 9.189 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.247 7.685 3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.094 9.498 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.950 10.647 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.251 10.940 1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.186 7.708 0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.958 7.657 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.085 9.185 0.559 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.588 10.400 5.061 1.00 0.00 N ATOM 1049 CA LYS A 65 -5.844 11.023 5.445 1.00 0.00 C ATOM 1050 C LYS A 65 -5.558 12.211 6.366 1.00 0.00 C ATOM 1051 O LYS A 65 -6.297 13.194 6.363 1.00 0.00 O ATOM 1052 CB LYS A 65 -6.792 9.987 6.052 1.00 0.00 C ATOM 1053 CG LYS A 65 -8.111 10.634 6.478 1.00 0.00 C ATOM 1054 CD LYS A 65 -8.918 9.696 7.377 1.00 0.00 C ATOM 1055 CE LYS A 65 -8.863 10.153 8.836 1.00 0.00 C ATOM 1056 NZ LYS A 65 -10.227 10.419 9.347 1.00 0.00 N ATOM 0 H LYS A 65 -4.511 9.412 5.301 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.359 11.416 4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.988 9.198 5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.319 9.516 6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.909 11.565 7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.696 10.890 5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.954 9.666 7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.527 8.682 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.383 9.387 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.255 11.054 8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.172 10.728 10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.672 11.165 8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.796 9.551 9.286 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.485 12.080 7.132 1.00 0.00 N ATOM 1071 CA LYS A 66 -4.093 13.130 8.056 1.00 0.00 C ATOM 1072 C LYS A 66 -3.270 14.180 7.309 1.00 0.00 C ATOM 1073 O LYS A 66 -3.325 15.365 7.635 1.00 0.00 O ATOM 1074 CB LYS A 66 -3.375 12.535 9.270 1.00 0.00 C ATOM 1075 CG LYS A 66 -3.771 13.267 10.554 1.00 0.00 C ATOM 1076 CD LYS A 66 -2.536 13.797 11.286 1.00 0.00 C ATOM 1077 CE LYS A 66 -2.447 13.218 12.700 1.00 0.00 C ATOM 1078 NZ LYS A 66 -1.326 13.836 13.442 1.00 0.00 N ATOM 0 H LYS A 66 -3.875 11.263 7.132 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.973 13.637 8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.621 11.477 9.360 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.296 12.601 9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.439 14.094 10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.323 12.591 11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.638 13.538 10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.578 14.885 11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.383 13.393 13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.306 12.138 12.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.279 13.433 14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.433 13.647 12.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.476 14.863 13.506 1.00 0.00 H new ATOM 1092 N LEU A 67 -2.524 13.708 6.321 1.00 0.00 N ATOM 1093 CA LEU A 67 -1.690 14.592 5.524 1.00 0.00 C ATOM 1094 C LEU A 67 -2.554 15.706 4.932 1.00 0.00 C ATOM 1095 O LEU A 67 -2.044 16.765 4.568 1.00 0.00 O ATOM 1096 CB LEU A 67 -0.913 13.794 4.474 1.00 0.00 C ATOM 1097 CG LEU A 67 0.380 13.131 4.957 1.00 0.00 C ATOM 1098 CD1 LEU A 67 0.757 11.951 4.061 1.00 0.00 C ATOM 1099 CD2 LEU A 67 1.512 14.154 5.067 1.00 0.00 C ATOM 0 H LEU A 67 -2.480 12.725 6.054 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.937 15.070 6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.569 13.019 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.669 14.461 3.647 1.00 0.00 H new ATOM 0 HG LEU A 67 0.209 12.733 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.679 11.497 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.043 11.211 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.904 12.302 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.419 13.657 5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.693 14.603 4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.232 14.932 5.777 1.00 0.00 H new