USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=4 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+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -122:sc= -0.183 (180deg=-1.07) USER MOD Single : A 32 LYS NZ :NH3+ -131:sc= 0.683 (180deg=-0.752!) USER MOD Single : A 33 LYS NZ :NH3+ 131:sc= -0.105 (180deg=-1.65!) USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= 0.00552 (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+ 180:sc= 0 (180deg=0) 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 -6.679 -10.462 -3.431 1.00 0.00 N ATOM 20 CA ARG A 3 -5.794 -9.771 -2.508 1.00 0.00 C ATOM 21 C ARG A 3 -4.941 -8.746 -3.257 1.00 0.00 C ATOM 22 O ARG A 3 -5.111 -7.541 -3.078 1.00 0.00 O ATOM 23 CB ARG A 3 -4.876 -10.757 -1.784 1.00 0.00 C ATOM 24 CG ARG A 3 -5.398 -11.061 -0.378 1.00 0.00 C ATOM 25 CD ARG A 3 -6.065 -12.437 -0.326 1.00 0.00 C ATOM 26 NE ARG A 3 -6.905 -12.547 0.887 1.00 0.00 N ATOM 27 CZ ARG A 3 -7.323 -13.709 1.409 1.00 0.00 C ATOM 28 NH1 ARG A 3 -6.982 -14.866 0.826 1.00 0.00 N ATOM 29 NH2 ARG A 3 -8.082 -13.713 2.513 1.00 0.00 N ATOM 0 HA ARG A 3 -6.415 -9.262 -1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.805 -11.681 -2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.870 -10.343 -1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.574 -11.025 0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.113 -10.295 -0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.676 -12.588 -1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.305 -13.219 -0.324 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.184 -11.685 1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.404 -14.863 -0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.300 -15.750 1.223 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.342 -12.832 2.956 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.400 -14.597 2.910 1.00 0.00 H new ATOM 43 N VAL A 4 -4.041 -9.263 -4.081 1.00 0.00 N ATOM 44 CA VAL A 4 -3.160 -8.407 -4.859 1.00 0.00 C ATOM 45 C VAL A 4 -4.000 -7.406 -5.656 1.00 0.00 C ATOM 46 O VAL A 4 -3.675 -6.222 -5.709 1.00 0.00 O ATOM 47 CB VAL A 4 -2.249 -9.260 -5.744 1.00 0.00 C ATOM 48 CG1 VAL A 4 -1.374 -8.380 -6.639 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.393 -10.206 -4.899 1.00 0.00 C ATOM 0 H VAL A 4 -3.903 -10.263 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.508 -7.833 -4.201 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.883 -9.868 -6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.736 -9.011 -7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.009 -7.767 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.753 -7.734 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.755 -10.801 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.773 -9.624 -4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.041 -10.868 -4.324 1.00 0.00 H new ATOM 59 N LYS A 5 -5.065 -7.920 -6.254 1.00 0.00 N ATOM 60 CA LYS A 5 -5.954 -7.088 -7.045 1.00 0.00 C ATOM 61 C LYS A 5 -6.734 -6.156 -6.116 1.00 0.00 C ATOM 62 O LYS A 5 -6.770 -4.945 -6.331 1.00 0.00 O ATOM 63 CB LYS A 5 -6.845 -7.953 -7.939 1.00 0.00 C ATOM 64 CG LYS A 5 -6.116 -9.225 -8.373 1.00 0.00 C ATOM 65 CD LYS A 5 -6.259 -9.452 -9.879 1.00 0.00 C ATOM 66 CE LYS A 5 -6.688 -10.889 -10.180 1.00 0.00 C ATOM 67 NZ LYS A 5 -6.010 -11.389 -11.396 1.00 0.00 N ATOM 0 H LYS A 5 -5.332 -8.903 -6.206 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.381 -6.456 -7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.757 -8.217 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.146 -7.384 -8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.060 -9.151 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.519 -10.082 -7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.993 -8.757 -10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.311 -9.241 -10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.448 -11.531 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.769 -10.931 -10.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.313 -12.366 -11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.260 -10.786 -12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.980 -11.367 -11.253 1.00 0.00 H new ATOM 81 N ALA A 6 -7.340 -6.755 -5.101 1.00 0.00 N ATOM 82 CA ALA A 6 -8.117 -5.995 -4.138 1.00 0.00 C ATOM 83 C ALA A 6 -7.230 -4.920 -3.507 1.00 0.00 C ATOM 84 O ALA A 6 -7.729 -3.929 -2.976 1.00 0.00 O ATOM 85 CB ALA A 6 -8.712 -6.944 -3.097 1.00 0.00 C ATOM 0 H ALA A 6 -7.308 -7.759 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.948 -5.490 -4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.295 -6.372 -2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.358 -7.669 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.908 -7.468 -2.581 1.00 0.00 H new ATOM 91 N LEU A 7 -5.928 -5.152 -3.586 1.00 0.00 N ATOM 92 CA LEU A 7 -4.964 -4.217 -3.030 1.00 0.00 C ATOM 93 C LEU A 7 -4.659 -3.131 -4.064 1.00 0.00 C ATOM 94 O LEU A 7 -4.857 -1.946 -3.801 1.00 0.00 O ATOM 95 CB LEU A 7 -3.723 -4.959 -2.531 1.00 0.00 C ATOM 96 CG LEU A 7 -3.665 -5.235 -1.028 1.00 0.00 C ATOM 97 CD1 LEU A 7 -3.908 -3.954 -0.225 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.638 -6.349 -0.637 1.00 0.00 C ATOM 0 H LEU A 7 -5.517 -5.975 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.379 -3.717 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.657 -5.911 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.842 -4.380 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.661 -5.583 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.861 -4.178 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.144 -3.218 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.892 -3.553 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.577 -6.525 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.654 -6.053 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.378 -7.263 -1.170 1.00 0.00 H new ATOM 110 N GLU A 8 -4.181 -3.575 -5.217 1.00 0.00 N ATOM 111 CA GLU A 8 -3.846 -2.656 -6.292 1.00 0.00 C ATOM 112 C GLU A 8 -4.847 -1.498 -6.332 1.00 0.00 C ATOM 113 O GLU A 8 -4.487 -0.376 -6.681 1.00 0.00 O ATOM 114 CB GLU A 8 -3.793 -3.382 -7.637 1.00 0.00 C ATOM 115 CG GLU A 8 -3.095 -2.526 -8.695 1.00 0.00 C ATOM 116 CD GLU A 8 -4.035 -2.225 -9.865 1.00 0.00 C ATOM 117 OE1 GLU A 8 -4.781 -1.228 -9.751 1.00 0.00 O ATOM 118 OE2 GLU A 8 -3.985 -2.998 -10.846 1.00 0.00 O ATOM 0 H GLU A 8 -4.018 -4.559 -5.431 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.855 -2.247 -6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.264 -4.328 -7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.805 -3.620 -7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.756 -1.592 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.208 -3.044 -9.060 1.00 0.00 H new ATOM 125 N GLU A 9 -6.081 -1.814 -5.968 1.00 0.00 N ATOM 126 CA GLU A 9 -7.135 -0.814 -5.958 1.00 0.00 C ATOM 127 C GLU A 9 -6.718 0.390 -5.111 1.00 0.00 C ATOM 128 O GLU A 9 -6.622 1.507 -5.616 1.00 0.00 O ATOM 129 CB GLU A 9 -8.451 -1.409 -5.454 1.00 0.00 C ATOM 130 CG GLU A 9 -9.395 -0.312 -4.956 1.00 0.00 C ATOM 131 CD GLU A 9 -10.848 -0.637 -5.309 1.00 0.00 C ATOM 132 OE1 GLU A 9 -11.475 -1.366 -4.512 1.00 0.00 O ATOM 133 OE2 GLU A 9 -11.298 -0.149 -6.369 1.00 0.00 O ATOM 0 H GLU A 9 -6.374 -2.747 -5.678 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.296 -0.475 -6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.931 -1.970 -6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.250 -2.114 -4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.295 -0.204 -3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.114 0.643 -5.399 1.00 0.00 H new ATOM 140 N LYS A 10 -6.480 0.121 -3.835 1.00 0.00 N ATOM 141 CA LYS A 10 -6.074 1.168 -2.913 1.00 0.00 C ATOM 142 C LYS A 10 -4.659 1.630 -3.262 1.00 0.00 C ATOM 143 O LYS A 10 -4.420 2.823 -3.446 1.00 0.00 O ATOM 144 CB LYS A 10 -6.227 0.695 -1.465 1.00 0.00 C ATOM 145 CG LYS A 10 -6.582 1.863 -0.541 1.00 0.00 C ATOM 146 CD LYS A 10 -8.093 1.946 -0.320 1.00 0.00 C ATOM 147 CE LYS A 10 -8.443 1.747 1.156 1.00 0.00 C ATOM 148 NZ LYS A 10 -8.935 0.371 1.390 1.00 0.00 N ATOM 0 H LYS A 10 -6.561 -0.807 -3.419 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.726 2.036 -3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.004 -0.068 -1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.299 0.231 -1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.077 1.740 0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.222 2.796 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.461 2.915 -0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.594 1.188 -0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.564 1.935 1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.204 2.468 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.168 0.252 2.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.786 0.204 0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.197 -0.312 1.123 1.00 0.00 H new ATOM 162 N VAL A 11 -3.758 0.663 -3.344 1.00 0.00 N ATOM 163 CA VAL A 11 -2.372 0.956 -3.669 1.00 0.00 C ATOM 164 C VAL A 11 -2.324 1.909 -4.865 1.00 0.00 C ATOM 165 O VAL A 11 -1.720 2.978 -4.789 1.00 0.00 O ATOM 166 CB VAL A 11 -1.604 -0.345 -3.910 1.00 0.00 C ATOM 167 CG1 VAL A 11 -0.141 -0.063 -4.253 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.715 -1.278 -2.702 1.00 0.00 C ATOM 0 H VAL A 11 -3.960 -0.325 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.882 1.457 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.056 -0.848 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.382 -1.005 -4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.090 0.545 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.329 0.472 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.161 -2.196 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.301 -0.785 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.763 -1.519 -2.523 1.00 0.00 H new ATOM 178 N LYS A 12 -2.969 1.487 -5.943 1.00 0.00 N ATOM 179 CA LYS A 12 -3.006 2.289 -7.155 1.00 0.00 C ATOM 180 C LYS A 12 -3.364 3.732 -6.794 1.00 0.00 C ATOM 181 O LYS A 12 -2.667 4.665 -7.187 1.00 0.00 O ATOM 182 CB LYS A 12 -3.948 1.661 -8.183 1.00 0.00 C ATOM 183 CG LYS A 12 -4.110 2.569 -9.405 1.00 0.00 C ATOM 184 CD LYS A 12 -3.574 1.890 -10.667 1.00 0.00 C ATOM 185 CE LYS A 12 -4.719 1.410 -11.560 1.00 0.00 C ATOM 186 NZ LYS A 12 -4.887 2.315 -12.719 1.00 0.00 N ATOM 0 H LYS A 12 -3.470 0.601 -6.003 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.024 2.312 -7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.558 0.692 -8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.922 1.481 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.162 2.818 -9.541 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.580 3.507 -9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.945 2.587 -11.220 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.945 1.044 -10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.516 0.397 -11.908 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.644 1.370 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.668 1.975 -13.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.102 3.275 -12.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.009 2.332 -13.276 1.00 0.00 H new ATOM 200 N ALA A 13 -4.452 3.870 -6.050 1.00 0.00 N ATOM 201 CA ALA A 13 -4.911 5.184 -5.632 1.00 0.00 C ATOM 202 C ALA A 13 -3.807 5.873 -4.828 1.00 0.00 C ATOM 203 O ALA A 13 -3.523 7.051 -5.039 1.00 0.00 O ATOM 204 CB ALA A 13 -6.210 5.042 -4.836 1.00 0.00 C ATOM 0 H ALA A 13 -5.029 3.094 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.127 5.809 -6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.554 6.028 -4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.970 4.574 -5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.032 4.423 -3.957 1.00 0.00 H new ATOM 210 N LEU A 14 -3.214 5.109 -3.922 1.00 0.00 N ATOM 211 CA LEU A 14 -2.147 5.632 -3.085 1.00 0.00 C ATOM 212 C LEU A 14 -1.085 6.287 -3.970 1.00 0.00 C ATOM 213 O LEU A 14 -0.654 7.408 -3.704 1.00 0.00 O ATOM 214 CB LEU A 14 -1.595 4.534 -2.173 1.00 0.00 C ATOM 215 CG LEU A 14 -2.584 3.937 -1.169 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.849 3.297 0.010 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.600 4.985 -0.710 1.00 0.00 C ATOM 0 H LEU A 14 -3.452 4.132 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.529 6.406 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.212 3.728 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.747 4.940 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.142 3.145 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.575 2.881 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.199 2.502 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.249 4.052 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.291 4.534 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.077 5.815 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.157 5.354 -1.571 1.00 0.00 H new ATOM 229 N GLU A 15 -0.692 5.559 -5.005 1.00 0.00 N ATOM 230 CA GLU A 15 0.312 6.055 -5.931 1.00 0.00 C ATOM 231 C GLU A 15 -0.039 7.473 -6.385 1.00 0.00 C ATOM 232 O GLU A 15 0.837 8.330 -6.491 1.00 0.00 O ATOM 233 CB GLU A 15 0.463 5.117 -7.130 1.00 0.00 C ATOM 234 CG GLU A 15 1.368 5.734 -8.198 1.00 0.00 C ATOM 235 CD GLU A 15 0.642 5.837 -9.541 1.00 0.00 C ATOM 236 OE1 GLU A 15 -0.293 6.664 -9.619 1.00 0.00 O ATOM 237 OE2 GLU A 15 1.036 5.087 -10.459 1.00 0.00 O ATOM 0 H GLU A 15 -1.051 4.629 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 15 1.271 6.087 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.879 4.165 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.517 4.906 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.690 6.725 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.267 5.128 -8.312 1.00 0.00 H new ATOM 244 N GLU A 16 -1.323 7.677 -6.641 1.00 0.00 N ATOM 245 CA GLU A 16 -1.800 8.978 -7.081 1.00 0.00 C ATOM 246 C GLU A 16 -1.962 9.916 -5.884 1.00 0.00 C ATOM 247 O GLU A 16 -1.387 11.004 -5.861 1.00 0.00 O ATOM 248 CB GLU A 16 -3.114 8.846 -7.856 1.00 0.00 C ATOM 249 CG GLU A 16 -3.165 9.836 -9.020 1.00 0.00 C ATOM 250 CD GLU A 16 -4.598 10.012 -9.527 1.00 0.00 C ATOM 251 OE1 GLU A 16 -5.180 8.990 -9.951 1.00 0.00 O ATOM 252 OE2 GLU A 16 -5.078 11.165 -9.481 1.00 0.00 O ATOM 0 H GLU A 16 -2.047 6.964 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.059 9.406 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.217 7.829 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.955 9.023 -7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.767 10.799 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.529 9.482 -9.831 1.00 0.00 H new ATOM 259 N LYS A 17 -2.747 9.463 -4.918 1.00 0.00 N ATOM 260 CA LYS A 17 -2.992 10.249 -3.720 1.00 0.00 C ATOM 261 C LYS A 17 -1.654 10.682 -3.118 1.00 0.00 C ATOM 262 O LYS A 17 -1.409 11.874 -2.934 1.00 0.00 O ATOM 263 CB LYS A 17 -3.883 9.477 -2.745 1.00 0.00 C ATOM 264 CG LYS A 17 -4.963 10.385 -2.154 1.00 0.00 C ATOM 265 CD LYS A 17 -5.904 9.596 -1.240 1.00 0.00 C ATOM 266 CE LYS A 17 -7.368 9.904 -1.563 1.00 0.00 C ATOM 267 NZ LYS A 17 -7.897 8.935 -2.548 1.00 0.00 N ATOM 0 H LYS A 17 -3.222 8.561 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.541 11.158 -3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.350 8.638 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.274 9.060 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.496 11.193 -1.591 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.535 10.847 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.719 8.528 -1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.698 9.844 -0.199 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.963 9.866 -0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.454 10.916 -1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.891 9.159 -2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.339 8.991 -3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.833 7.973 -2.158 1.00 0.00 H new ATOM 281 N VAL A 18 -0.822 9.692 -2.830 1.00 0.00 N ATOM 282 CA VAL A 18 0.484 9.956 -2.252 1.00 0.00 C ATOM 283 C VAL A 18 1.173 11.069 -3.047 1.00 0.00 C ATOM 284 O VAL A 18 1.912 11.873 -2.482 1.00 0.00 O ATOM 285 CB VAL A 18 1.304 8.665 -2.199 1.00 0.00 C ATOM 286 CG1 VAL A 18 2.760 8.954 -1.830 1.00 0.00 C ATOM 287 CG2 VAL A 18 0.681 7.661 -1.226 1.00 0.00 C ATOM 0 H VAL A 18 -1.027 8.705 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 18 0.383 10.304 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 18 1.293 8.220 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.320 8.019 -1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.200 9.616 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.799 9.433 -0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.282 6.752 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.647 8.095 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.331 7.420 -1.551 1.00 0.00 H new ATOM 297 N LYS A 19 0.905 11.078 -4.344 1.00 0.00 N ATOM 298 CA LYS A 19 1.489 12.078 -5.222 1.00 0.00 C ATOM 299 C LYS A 19 0.791 13.421 -4.993 1.00 0.00 C ATOM 300 O LYS A 19 1.427 14.472 -5.046 1.00 0.00 O ATOM 301 CB LYS A 19 1.449 11.604 -6.675 1.00 0.00 C ATOM 302 CG LYS A 19 2.205 12.571 -7.588 1.00 0.00 C ATOM 303 CD LYS A 19 2.973 11.815 -8.673 1.00 0.00 C ATOM 304 CE LYS A 19 3.676 12.784 -9.626 1.00 0.00 C ATOM 305 NZ LYS A 19 4.746 12.090 -10.377 1.00 0.00 N ATOM 0 H LYS A 19 0.291 10.409 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 19 2.544 12.222 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.889 10.609 -6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.414 11.520 -7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.502 13.264 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.898 13.168 -6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.709 11.157 -8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.286 11.181 -9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.952 13.208 -10.322 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.100 13.615 -9.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.212 12.763 -11.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.446 11.706 -9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.333 11.313 -10.931 1.00 0.00 H new ATOM 319 N ALA A 20 -0.508 13.341 -4.743 1.00 0.00 N ATOM 320 CA ALA A 20 -1.299 14.537 -4.507 1.00 0.00 C ATOM 321 C ALA A 20 -0.780 15.247 -3.256 1.00 0.00 C ATOM 322 O ALA A 20 -1.105 16.409 -3.017 1.00 0.00 O ATOM 323 CB ALA A 20 -2.777 14.157 -4.392 1.00 0.00 C ATOM 0 H ALA A 20 -1.032 12.467 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.205 15.231 -5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.371 15.054 -4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.104 13.682 -5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.911 13.464 -3.562 1.00 0.00 H new ATOM 329 N LEU A 21 0.020 14.520 -2.490 1.00 0.00 N ATOM 330 CA LEU A 21 0.586 15.066 -1.269 1.00 0.00 C ATOM 331 C LEU A 21 1.713 16.038 -1.625 1.00 0.00 C ATOM 332 O LEU A 21 2.677 15.659 -2.290 1.00 0.00 O ATOM 333 CB LEU A 21 1.021 13.939 -0.329 1.00 0.00 C ATOM 334 CG LEU A 21 0.088 12.728 -0.257 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.637 11.670 0.701 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.334 13.154 0.112 1.00 0.00 C ATOM 0 H LEU A 21 0.290 13.557 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.166 15.634 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.008 13.595 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.128 14.351 0.675 1.00 0.00 H new ATOM 0 HG LEU A 21 0.041 12.272 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.045 10.820 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.615 11.337 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.732 12.097 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.977 12.275 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.325 13.647 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.714 13.844 -0.641 1.00 0.00 H new ATOM 348 N GLY A 22 1.555 17.270 -1.168 1.00 0.00 N ATOM 349 CA GLY A 22 2.546 18.300 -1.430 1.00 0.00 C ATOM 350 C GLY A 22 3.965 17.753 -1.250 1.00 0.00 C ATOM 351 O GLY A 22 4.892 18.190 -1.929 1.00 0.00 O ATOM 0 H GLY A 22 0.754 17.579 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.424 18.678 -2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.388 19.142 -0.756 1.00 0.00 H new ATOM 355 N GLY A 23 4.087 16.805 -0.334 1.00 0.00 N ATOM 356 CA GLY A 23 5.376 16.194 -0.056 1.00 0.00 C ATOM 357 C GLY A 23 6.326 17.195 0.605 1.00 0.00 C ATOM 358 O GLY A 23 6.128 18.404 0.503 1.00 0.00 O ATOM 0 H GLY A 23 3.314 16.444 0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.240 15.331 0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.816 15.827 -0.983 1.00 0.00 H new ATOM 362 N GLY A 24 7.337 16.652 1.269 1.00 0.00 N ATOM 363 CA GLY A 24 8.317 17.483 1.947 1.00 0.00 C ATOM 364 C GLY A 24 8.582 16.972 3.365 1.00 0.00 C ATOM 365 O GLY A 24 8.440 17.716 4.334 1.00 0.00 O ATOM 0 H GLY A 24 7.498 15.648 1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.248 17.491 1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.960 18.512 1.988 1.00 0.00 H new ATOM 369 N GLY A 25 8.962 15.705 3.442 1.00 0.00 N ATOM 370 CA GLY A 25 9.247 15.085 4.725 1.00 0.00 C ATOM 371 C GLY A 25 8.190 14.037 5.075 1.00 0.00 C ATOM 372 O GLY A 25 8.504 13.008 5.672 1.00 0.00 O ATOM 0 H GLY A 25 9.079 15.091 2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.231 14.618 4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.279 15.848 5.503 1.00 0.00 H new ATOM 376 N ARG A 26 6.958 14.333 4.688 1.00 0.00 N ATOM 377 CA ARG A 26 5.852 13.428 4.954 1.00 0.00 C ATOM 378 C ARG A 26 5.986 12.163 4.103 1.00 0.00 C ATOM 379 O ARG A 26 6.505 11.149 4.568 1.00 0.00 O ATOM 380 CB ARG A 26 4.509 14.096 4.654 1.00 0.00 C ATOM 381 CG ARG A 26 4.179 15.159 5.705 1.00 0.00 C ATOM 382 CD ARG A 26 4.552 16.556 5.208 1.00 0.00 C ATOM 383 NE ARG A 26 5.199 17.324 6.295 1.00 0.00 N ATOM 384 CZ ARG A 26 4.585 17.683 7.430 1.00 0.00 C ATOM 385 NH1 ARG A 26 3.304 17.346 7.635 1.00 0.00 N ATOM 386 NH2 ARG A 26 5.251 18.380 8.361 1.00 0.00 N ATOM 0 H ARG A 26 6.701 15.187 4.192 1.00 0.00 H new ATOM 0 HA ARG A 26 5.885 13.165 6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.539 14.554 3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.721 13.343 4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.115 15.125 5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.717 14.942 6.628 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.226 16.479 4.355 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.660 17.079 4.864 1.00 0.00 H new ATOM 0 HE ARG A 26 6.174 17.597 6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.796 16.816 6.927 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.837 17.620 8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.226 18.637 8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.783 18.653 9.225 1.00 0.00 H new ATOM 400 N ILE A 27 5.507 12.264 2.872 1.00 0.00 N ATOM 401 CA ILE A 27 5.566 11.141 1.952 1.00 0.00 C ATOM 402 C ILE A 27 6.982 10.559 1.954 1.00 0.00 C ATOM 403 O ILE A 27 7.164 9.359 1.754 1.00 0.00 O ATOM 404 CB ILE A 27 5.076 11.558 0.564 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.845 12.780 0.055 1.00 0.00 C ATOM 406 CG2 ILE A 27 3.564 11.791 0.564 1.00 0.00 C ATOM 407 CD1 ILE A 27 5.103 13.451 -1.102 1.00 0.00 C ATOM 0 H ILE A 27 5.076 13.106 2.490 1.00 0.00 H new ATOM 0 HA ILE A 27 4.893 10.347 2.277 1.00 0.00 H new ATOM 0 HB ILE A 27 5.276 10.741 -0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.980 13.494 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.840 12.478 -0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.241 12.086 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.054 10.872 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.318 12.581 1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.670 14.316 -1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.991 12.742 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.118 13.774 -0.764 1.00 0.00 H new ATOM 419 N GLU A 28 7.947 11.436 2.184 1.00 0.00 N ATOM 420 CA GLU A 28 9.340 11.024 2.216 1.00 0.00 C ATOM 421 C GLU A 28 9.478 9.670 2.913 1.00 0.00 C ATOM 422 O GLU A 28 10.409 8.916 2.635 1.00 0.00 O ATOM 423 CB GLU A 28 10.210 12.083 2.898 1.00 0.00 C ATOM 424 CG GLU A 28 11.695 11.818 2.645 1.00 0.00 C ATOM 425 CD GLU A 28 12.368 13.037 2.009 1.00 0.00 C ATOM 426 OE1 GLU A 28 12.405 14.085 2.689 1.00 0.00 O ATOM 427 OE2 GLU A 28 12.832 12.892 0.857 1.00 0.00 O ATOM 0 H GLU A 28 7.792 12.430 2.350 1.00 0.00 H new ATOM 0 HA GLU A 28 9.690 10.919 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.945 13.072 2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.015 12.084 3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.190 11.574 3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.808 10.953 1.991 1.00 0.00 H new ATOM 434 N GLU A 29 8.536 9.402 3.807 1.00 0.00 N ATOM 435 CA GLU A 29 8.541 8.151 4.547 1.00 0.00 C ATOM 436 C GLU A 29 7.518 7.181 3.953 1.00 0.00 C ATOM 437 O GLU A 29 7.856 6.047 3.615 1.00 0.00 O ATOM 438 CB GLU A 29 8.271 8.393 6.033 1.00 0.00 C ATOM 439 CG GLU A 29 9.313 7.686 6.902 1.00 0.00 C ATOM 440 CD GLU A 29 8.642 6.836 7.983 1.00 0.00 C ATOM 441 OE1 GLU A 29 7.616 7.307 8.518 1.00 0.00 O ATOM 442 OE2 GLU A 29 9.171 5.736 8.249 1.00 0.00 O ATOM 0 H GLU A 29 7.765 10.030 4.035 1.00 0.00 H new ATOM 0 HA GLU A 29 9.531 7.702 4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.286 9.463 6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.274 8.033 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.944 7.054 6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.965 8.425 7.368 1.00 0.00 H new ATOM 449 N LEU A 30 6.288 7.660 3.846 1.00 0.00 N ATOM 450 CA LEU A 30 5.213 6.849 3.300 1.00 0.00 C ATOM 451 C LEU A 30 5.639 6.297 1.938 1.00 0.00 C ATOM 452 O LEU A 30 5.557 5.093 1.699 1.00 0.00 O ATOM 453 CB LEU A 30 3.908 7.645 3.261 1.00 0.00 C ATOM 454 CG LEU A 30 3.466 8.142 1.883 1.00 0.00 C ATOM 455 CD1 LEU A 30 3.255 6.972 0.920 1.00 0.00 C ATOM 456 CD2 LEU A 30 2.222 9.025 1.992 1.00 0.00 C ATOM 0 H LEU A 30 6.011 8.600 4.128 1.00 0.00 H new ATOM 0 HA LEU A 30 5.016 5.992 3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.114 7.023 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.012 8.507 3.920 1.00 0.00 H new ATOM 0 HG LEU A 30 4.264 8.759 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.941 7.353 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.188 6.419 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.485 6.309 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.929 9.365 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.407 8.452 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.442 9.888 2.620 1.00 0.00 H new ATOM 468 N LYS A 31 6.083 7.205 1.080 1.00 0.00 N ATOM 469 CA LYS A 31 6.521 6.824 -0.252 1.00 0.00 C ATOM 470 C LYS A 31 7.489 5.644 -0.148 1.00 0.00 C ATOM 471 O LYS A 31 7.622 4.860 -1.087 1.00 0.00 O ATOM 472 CB LYS A 31 7.101 8.032 -0.990 1.00 0.00 C ATOM 473 CG LYS A 31 6.094 8.595 -1.995 1.00 0.00 C ATOM 474 CD LYS A 31 6.727 8.745 -3.380 1.00 0.00 C ATOM 475 CE LYS A 31 6.870 7.385 -4.068 1.00 0.00 C ATOM 476 NZ LYS A 31 8.257 6.883 -3.939 1.00 0.00 N ATOM 0 H LYS A 31 6.149 8.203 1.282 1.00 0.00 H new ATOM 0 HA LYS A 31 5.674 6.490 -0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.374 8.805 -0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.015 7.742 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.228 7.935 -2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.733 9.564 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.114 9.405 -3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.706 9.214 -3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.176 6.671 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.606 7.474 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.656 6.719 -4.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.835 7.586 -3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.255 5.991 -3.405 1.00 0.00 H new ATOM 490 N LYS A 32 8.140 5.552 1.003 1.00 0.00 N ATOM 491 CA LYS A 32 9.091 4.481 1.241 1.00 0.00 C ATOM 492 C LYS A 32 8.331 3.181 1.513 1.00 0.00 C ATOM 493 O LYS A 32 8.376 2.252 0.708 1.00 0.00 O ATOM 494 CB LYS A 32 10.066 4.868 2.355 1.00 0.00 C ATOM 495 CG LYS A 32 10.420 6.354 2.282 1.00 0.00 C ATOM 496 CD LYS A 32 11.662 6.663 3.119 1.00 0.00 C ATOM 497 CE LYS A 32 12.828 7.098 2.230 1.00 0.00 C ATOM 498 NZ LYS A 32 12.786 8.558 1.995 1.00 0.00 N ATOM 0 H LYS A 32 8.027 6.202 1.781 1.00 0.00 H new ATOM 0 HA LYS A 32 9.705 4.313 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.623 4.643 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.974 4.270 2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.596 6.639 1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.580 6.950 2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.434 7.451 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.947 5.781 3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.773 6.827 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.784 6.569 1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.889 8.749 0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.877 8.937 2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.563 9.016 2.514 1.00 0.00 H new ATOM 512 N LYS A 33 7.651 3.156 2.650 1.00 0.00 N ATOM 513 CA LYS A 33 6.882 1.987 3.037 1.00 0.00 C ATOM 514 C LYS A 33 5.987 1.561 1.872 1.00 0.00 C ATOM 515 O LYS A 33 5.835 0.369 1.605 1.00 0.00 O ATOM 516 CB LYS A 33 6.117 2.254 4.334 1.00 0.00 C ATOM 517 CG LYS A 33 5.395 3.603 4.277 1.00 0.00 C ATOM 518 CD LYS A 33 4.281 3.673 5.323 1.00 0.00 C ATOM 519 CE LYS A 33 4.737 4.447 6.561 1.00 0.00 C ATOM 520 NZ LYS A 33 4.321 5.864 6.469 1.00 0.00 N ATOM 0 H LYS A 33 7.617 3.928 3.316 1.00 0.00 H new ATOM 0 HA LYS A 33 7.546 1.149 3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.393 1.457 4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.808 2.243 5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.109 4.409 4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.975 3.753 3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.403 4.154 4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.983 2.664 5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.312 3.995 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.821 4.386 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.859 6.148 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.157 6.461 6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.655 5.980 5.679 1.00 0.00 H new ATOM 534 N TRP A 34 5.419 2.556 1.208 1.00 0.00 N ATOM 535 CA TRP A 34 4.544 2.300 0.077 1.00 0.00 C ATOM 536 C TRP A 34 5.337 1.506 -0.964 1.00 0.00 C ATOM 537 O TRP A 34 4.769 0.700 -1.700 1.00 0.00 O ATOM 538 CB TRP A 34 3.967 3.603 -0.477 1.00 0.00 C ATOM 539 CG TRP A 34 3.937 3.670 -2.005 1.00 0.00 C ATOM 540 CD1 TRP A 34 4.907 4.083 -2.833 1.00 0.00 C ATOM 541 CD2 TRP A 34 2.836 3.296 -2.860 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.514 4.001 -4.152 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.215 3.508 -4.170 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.563 2.794 -2.538 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.379 3.246 -5.262 1.00 0.00 C ATOM 546 CZ3 TRP A 34 0.739 2.537 -3.640 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.106 2.746 -4.965 1.00 0.00 C ATOM 0 H TRP A 34 5.548 3.543 1.432 1.00 0.00 H new ATOM 0 HA TRP A 34 3.681 1.708 0.383 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.953 3.729 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.555 4.439 -0.098 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.875 4.436 -2.508 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.074 4.256 -4.966 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.246 2.620 -1.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.699 3.420 -6.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.251 2.149 -3.448 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.411 2.523 -5.762 1.00 0.00 H new ATOM 558 N GLU A 35 6.636 1.762 -0.992 1.00 0.00 N ATOM 559 CA GLU A 35 7.512 1.083 -1.931 1.00 0.00 C ATOM 560 C GLU A 35 7.834 -0.327 -1.432 1.00 0.00 C ATOM 561 O GLU A 35 8.009 -1.247 -2.229 1.00 0.00 O ATOM 562 CB GLU A 35 8.794 1.886 -2.165 1.00 0.00 C ATOM 563 CG GLU A 35 8.887 2.357 -3.618 1.00 0.00 C ATOM 564 CD GLU A 35 10.222 1.945 -4.243 1.00 0.00 C ATOM 565 OE1 GLU A 35 11.260 2.257 -3.621 1.00 0.00 O ATOM 566 OE2 GLU A 35 10.173 1.326 -5.329 1.00 0.00 O ATOM 0 H GLU A 35 7.103 2.430 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 35 6.993 1.001 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.815 2.747 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.661 1.273 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.065 1.933 -4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.781 3.441 -3.660 1.00 0.00 H new ATOM 573 N GLU A 36 7.901 -0.452 -0.114 1.00 0.00 N ATOM 574 CA GLU A 36 8.198 -1.736 0.501 1.00 0.00 C ATOM 575 C GLU A 36 6.916 -2.556 0.662 1.00 0.00 C ATOM 576 O GLU A 36 6.973 -3.766 0.871 1.00 0.00 O ATOM 577 CB GLU A 36 8.902 -1.549 1.846 1.00 0.00 C ATOM 578 CG GLU A 36 9.740 -0.268 1.853 1.00 0.00 C ATOM 579 CD GLU A 36 10.996 -0.440 2.707 1.00 0.00 C ATOM 580 OE1 GLU A 36 11.793 -1.342 2.369 1.00 0.00 O ATOM 581 OE2 GLU A 36 11.134 0.335 3.678 1.00 0.00 O ATOM 0 H GLU A 36 7.755 0.313 0.544 1.00 0.00 H new ATOM 0 HA GLU A 36 8.876 -2.283 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.162 -1.508 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.542 -2.408 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.022 -0.008 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.144 0.559 2.239 1.00 0.00 H new ATOM 588 N LEU A 37 5.791 -1.864 0.559 1.00 0.00 N ATOM 589 CA LEU A 37 4.498 -2.513 0.691 1.00 0.00 C ATOM 590 C LEU A 37 4.085 -3.098 -0.662 1.00 0.00 C ATOM 591 O LEU A 37 3.809 -4.291 -0.767 1.00 0.00 O ATOM 592 CB LEU A 37 3.470 -1.545 1.281 1.00 0.00 C ATOM 593 CG LEU A 37 2.102 -1.520 0.597 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.388 -2.864 0.750 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.252 -0.357 1.114 1.00 0.00 C ATOM 0 H LEU A 37 5.748 -0.860 0.386 1.00 0.00 H new ATOM 0 HA LEU A 37 4.559 -3.344 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.324 -1.797 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.888 -0.539 1.250 1.00 0.00 H new ATOM 0 HG LEU A 37 2.256 -1.357 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.418 -2.819 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.991 -3.650 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.245 -3.082 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.285 -0.362 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.104 -0.464 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.762 0.585 0.910 1.00 0.00 H new ATOM 607 N LYS A 38 4.057 -2.230 -1.662 1.00 0.00 N ATOM 608 CA LYS A 38 3.683 -2.645 -3.003 1.00 0.00 C ATOM 609 C LYS A 38 4.562 -3.821 -3.432 1.00 0.00 C ATOM 610 O LYS A 38 4.127 -4.678 -4.200 1.00 0.00 O ATOM 611 CB LYS A 38 3.734 -1.456 -3.966 1.00 0.00 C ATOM 612 CG LYS A 38 3.496 -1.908 -5.409 1.00 0.00 C ATOM 613 CD LYS A 38 4.404 -1.149 -6.378 1.00 0.00 C ATOM 614 CE LYS A 38 4.034 0.334 -6.428 1.00 0.00 C ATOM 615 NZ LYS A 38 3.057 0.589 -7.510 1.00 0.00 N ATOM 0 H LYS A 38 4.287 -1.241 -1.570 1.00 0.00 H new ATOM 0 HA LYS A 38 2.651 -2.995 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.981 -0.721 -3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.704 -0.964 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.682 -2.979 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.453 -1.743 -5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.444 -1.258 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.321 -1.582 -7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.614 0.642 -5.471 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.930 0.933 -6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.507 1.443 -7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.562 0.728 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.414 -0.224 -7.596 1.00 0.00 H new ATOM 629 N LYS A 39 5.783 -3.825 -2.918 1.00 0.00 N ATOM 630 CA LYS A 39 6.726 -4.882 -3.237 1.00 0.00 C ATOM 631 C LYS A 39 6.218 -6.205 -2.660 1.00 0.00 C ATOM 632 O LYS A 39 6.531 -7.275 -3.182 1.00 0.00 O ATOM 633 CB LYS A 39 8.132 -4.506 -2.767 1.00 0.00 C ATOM 634 CG LYS A 39 9.199 -5.156 -3.650 1.00 0.00 C ATOM 635 CD LYS A 39 10.563 -5.153 -2.956 1.00 0.00 C ATOM 636 CE LYS A 39 11.111 -6.575 -2.819 1.00 0.00 C ATOM 637 NZ LYS A 39 11.786 -6.992 -4.068 1.00 0.00 N ATOM 0 H LYS A 39 6.141 -3.112 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 39 6.800 -5.012 -4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.248 -3.422 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.270 -4.821 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.908 -6.180 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.268 -4.621 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.264 -4.543 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.472 -4.698 -1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.813 -6.622 -1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.298 -7.264 -2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.152 -7.959 -3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.107 -6.966 -4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.574 -6.344 -4.270 1.00 0.00 H new ATOM 651 N LYS A 40 5.443 -6.090 -1.593 1.00 0.00 N ATOM 652 CA LYS A 40 4.888 -7.263 -0.940 1.00 0.00 C ATOM 653 C LYS A 40 3.651 -7.733 -1.709 1.00 0.00 C ATOM 654 O LYS A 40 3.472 -8.929 -1.931 1.00 0.00 O ATOM 655 CB LYS A 40 4.620 -6.977 0.538 1.00 0.00 C ATOM 656 CG LYS A 40 5.680 -7.634 1.426 1.00 0.00 C ATOM 657 CD LYS A 40 5.221 -9.014 1.898 1.00 0.00 C ATOM 658 CE LYS A 40 6.393 -9.817 2.466 1.00 0.00 C ATOM 659 NZ LYS A 40 7.145 -10.477 1.377 1.00 0.00 N ATOM 0 H LYS A 40 5.186 -5.201 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 40 5.606 -8.083 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.614 -5.900 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.632 -7.348 0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.615 -7.727 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.881 -6.999 2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.448 -8.904 2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.773 -9.557 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.056 -9.157 3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.023 -10.566 3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.937 -11.018 1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.513 -11.121 0.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.514 -9.757 0.724 1.00 0.00 H new ATOM 673 N ILE A 41 2.831 -6.766 -2.095 1.00 0.00 N ATOM 674 CA ILE A 41 1.616 -7.066 -2.834 1.00 0.00 C ATOM 675 C ILE A 41 1.983 -7.764 -4.146 1.00 0.00 C ATOM 676 O ILE A 41 1.151 -8.446 -4.744 1.00 0.00 O ATOM 677 CB ILE A 41 0.779 -5.800 -3.024 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.735 -4.973 -1.738 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.623 -6.142 -3.534 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.451 -4.007 -1.747 1.00 0.00 C ATOM 0 H ILE A 41 2.984 -5.775 -1.910 1.00 0.00 H new ATOM 0 HA ILE A 41 0.986 -7.755 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 41 1.258 -5.185 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.661 -5.637 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.664 -4.413 -1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.198 -5.225 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.546 -6.657 -4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.125 -6.788 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.459 -3.432 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.361 -3.329 -2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.380 -4.572 -1.831 1.00 0.00 H new ATOM 692 N GLU A 42 3.228 -7.570 -4.555 1.00 0.00 N ATOM 693 CA GLU A 42 3.714 -8.172 -5.785 1.00 0.00 C ATOM 694 C GLU A 42 4.000 -9.660 -5.571 1.00 0.00 C ATOM 695 O GLU A 42 3.480 -10.507 -6.296 1.00 0.00 O ATOM 696 CB GLU A 42 4.958 -7.444 -6.297 1.00 0.00 C ATOM 697 CG GLU A 42 4.621 -6.563 -7.502 1.00 0.00 C ATOM 698 CD GLU A 42 4.831 -7.324 -8.813 1.00 0.00 C ATOM 699 OE1 GLU A 42 5.836 -8.062 -8.885 1.00 0.00 O ATOM 700 OE2 GLU A 42 3.981 -7.149 -9.713 1.00 0.00 O ATOM 0 H GLU A 42 3.915 -7.004 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 42 2.938 -8.076 -6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.379 -6.831 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.720 -8.171 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.586 -6.228 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.247 -5.671 -7.491 1.00 0.00 H new ATOM 707 N GLU A 43 4.826 -9.934 -4.571 1.00 0.00 N ATOM 708 CA GLU A 43 5.186 -11.305 -4.251 1.00 0.00 C ATOM 709 C GLU A 43 4.056 -11.984 -3.476 1.00 0.00 C ATOM 710 O GLU A 43 4.113 -13.185 -3.212 1.00 0.00 O ATOM 711 CB GLU A 43 6.498 -11.358 -3.468 1.00 0.00 C ATOM 712 CG GLU A 43 7.516 -12.267 -4.161 1.00 0.00 C ATOM 713 CD GLU A 43 7.283 -13.733 -3.792 1.00 0.00 C ATOM 714 OE1 GLU A 43 6.798 -13.963 -2.662 1.00 0.00 O ATOM 715 OE2 GLU A 43 7.595 -14.590 -4.645 1.00 0.00 O ATOM 0 H GLU A 43 5.256 -9.229 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 43 5.336 -11.848 -5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.909 -10.353 -3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.308 -11.722 -2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.442 -12.144 -5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.526 -11.972 -3.875 1.00 0.00 H new ATOM 722 N LEU A 44 3.054 -11.187 -3.132 1.00 0.00 N ATOM 723 CA LEU A 44 1.913 -11.697 -2.393 1.00 0.00 C ATOM 724 C LEU A 44 1.518 -13.067 -2.950 1.00 0.00 C ATOM 725 O LEU A 44 0.954 -13.158 -4.038 1.00 0.00 O ATOM 726 CB LEU A 44 0.771 -10.678 -2.400 1.00 0.00 C ATOM 727 CG LEU A 44 0.565 -9.891 -1.105 1.00 0.00 C ATOM 728 CD1 LEU A 44 -0.692 -9.022 -1.185 1.00 0.00 C ATOM 729 CD2 LEU A 44 0.541 -10.825 0.106 1.00 0.00 C ATOM 0 H LEU A 44 3.010 -10.192 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 44 2.174 -11.843 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.949 -9.969 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.155 -11.202 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 44 1.413 -9.218 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.815 -8.473 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.595 -8.317 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.563 -9.656 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.393 -10.240 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.275 -11.540 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.487 -11.362 0.170 1.00 0.00 H new ATOM 769 N GLU A 49 0.858 -13.892 3.850 1.00 0.00 N ATOM 770 CA GLU A 49 1.033 -12.960 4.951 1.00 0.00 C ATOM 771 C GLU A 49 0.549 -11.566 4.548 1.00 0.00 C ATOM 772 O GLU A 49 1.168 -10.564 4.902 1.00 0.00 O ATOM 773 CB GLU A 49 2.492 -12.923 5.412 1.00 0.00 C ATOM 774 CG GLU A 49 2.753 -13.978 6.489 1.00 0.00 C ATOM 775 CD GLU A 49 4.106 -13.746 7.166 1.00 0.00 C ATOM 776 OE1 GLU A 49 4.257 -12.666 7.777 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.960 -14.652 7.054 1.00 0.00 O ATOM 0 HA GLU A 49 0.430 -13.303 5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.151 -13.096 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.729 -11.933 5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.959 -13.946 7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.731 -14.972 6.042 1.00 0.00 H new ATOM 784 N VAL A 50 -0.553 -11.547 3.813 1.00 0.00 N ATOM 785 CA VAL A 50 -1.127 -10.293 3.357 1.00 0.00 C ATOM 786 C VAL A 50 -1.415 -9.399 4.566 1.00 0.00 C ATOM 787 O VAL A 50 -1.303 -8.178 4.482 1.00 0.00 O ATOM 788 CB VAL A 50 -2.368 -10.563 2.505 1.00 0.00 C ATOM 789 CG1 VAL A 50 -2.896 -9.270 1.879 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.078 -11.614 1.431 1.00 0.00 C ATOM 0 H VAL A 50 -1.064 -12.381 3.522 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.421 -9.761 2.719 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.144 -10.959 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.778 -9.490 1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.160 -8.566 2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.126 -8.832 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.977 -11.787 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.279 -11.259 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.772 -12.546 1.907 1.00 0.00 H new ATOM 800 N LYS A 51 -1.780 -10.045 5.664 1.00 0.00 N ATOM 801 CA LYS A 51 -2.085 -9.325 6.889 1.00 0.00 C ATOM 802 C LYS A 51 -1.122 -8.146 7.036 1.00 0.00 C ATOM 803 O LYS A 51 -1.480 -7.114 7.602 1.00 0.00 O ATOM 804 CB LYS A 51 -2.078 -10.278 8.086 1.00 0.00 C ATOM 805 CG LYS A 51 -3.503 -10.567 8.565 1.00 0.00 C ATOM 806 CD LYS A 51 -3.517 -11.713 9.579 1.00 0.00 C ATOM 807 CE LYS A 51 -4.949 -12.049 10.005 1.00 0.00 C ATOM 808 NZ LYS A 51 -5.352 -11.220 11.164 1.00 0.00 N ATOM 0 H LYS A 51 -1.871 -11.059 5.731 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.092 -8.910 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.587 -11.211 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.498 -9.842 8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.928 -9.671 9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.133 -10.823 7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.047 -12.595 9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.928 -11.437 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.632 -11.878 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.020 -13.106 10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.325 -11.460 11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.710 -11.403 11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.304 -10.214 10.905 1.00 0.00 H new ATOM 822 N LYS A 52 0.082 -8.339 6.516 1.00 0.00 N ATOM 823 CA LYS A 52 1.100 -7.304 6.583 1.00 0.00 C ATOM 824 C LYS A 52 0.775 -6.210 5.564 1.00 0.00 C ATOM 825 O LYS A 52 0.597 -5.049 5.929 1.00 0.00 O ATOM 826 CB LYS A 52 2.493 -7.911 6.412 1.00 0.00 C ATOM 827 CG LYS A 52 3.207 -8.036 7.759 1.00 0.00 C ATOM 828 CD LYS A 52 3.963 -6.750 8.101 1.00 0.00 C ATOM 829 CE LYS A 52 5.083 -7.023 9.107 1.00 0.00 C ATOM 830 NZ LYS A 52 5.625 -5.751 9.635 1.00 0.00 N ATOM 0 H LYS A 52 0.375 -9.196 6.047 1.00 0.00 H new ATOM 0 HA LYS A 52 1.102 -6.834 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.411 -8.894 5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.084 -7.289 5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.480 -8.253 8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.903 -8.874 7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.383 -6.318 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.271 -6.016 8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.703 -7.632 9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.879 -7.594 8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.384 -5.953 10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.006 -5.184 8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.866 -5.221 10.109 1.00 0.00 H new ATOM 844 N VAL A 53 0.710 -6.619 4.306 1.00 0.00 N ATOM 845 CA VAL A 53 0.411 -5.688 3.230 1.00 0.00 C ATOM 846 C VAL A 53 -0.700 -4.736 3.680 1.00 0.00 C ATOM 847 O VAL A 53 -0.453 -3.553 3.907 1.00 0.00 O ATOM 848 CB VAL A 53 0.059 -6.457 1.955 1.00 0.00 C ATOM 849 CG1 VAL A 53 -0.826 -5.615 1.034 1.00 0.00 C ATOM 850 CG2 VAL A 53 1.323 -6.920 1.229 1.00 0.00 C ATOM 0 H VAL A 53 0.859 -7.583 4.007 1.00 0.00 H new ATOM 0 HA VAL A 53 1.285 -5.081 2.996 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.506 -7.344 2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.062 -6.185 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.749 -5.357 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.298 -4.702 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.045 -7.464 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.926 -6.053 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.900 -7.573 1.883 1.00 0.00 H new ATOM 860 N GLU A 54 -1.898 -5.290 3.796 1.00 0.00 N ATOM 861 CA GLU A 54 -3.047 -4.505 4.215 1.00 0.00 C ATOM 862 C GLU A 54 -2.643 -3.515 5.309 1.00 0.00 C ATOM 863 O GLU A 54 -2.605 -2.308 5.075 1.00 0.00 O ATOM 864 CB GLU A 54 -4.187 -5.410 4.687 1.00 0.00 C ATOM 865 CG GLU A 54 -4.586 -6.405 3.595 1.00 0.00 C ATOM 866 CD GLU A 54 -5.974 -6.079 3.040 1.00 0.00 C ATOM 867 OE1 GLU A 54 -6.200 -4.888 2.736 1.00 0.00 O ATOM 868 OE2 GLU A 54 -6.778 -7.030 2.931 1.00 0.00 O ATOM 0 H GLU A 54 -2.098 -6.272 3.607 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.409 -3.939 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.880 -5.951 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.049 -4.802 4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.853 -6.380 2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.580 -7.417 4.000 1.00 0.00 H new ATOM 875 N GLU A 55 -2.352 -4.062 6.480 1.00 0.00 N ATOM 876 CA GLU A 55 -1.953 -3.242 7.611 1.00 0.00 C ATOM 877 C GLU A 55 -0.967 -2.161 7.161 1.00 0.00 C ATOM 878 O GLU A 55 -0.941 -1.068 7.723 1.00 0.00 O ATOM 879 CB GLU A 55 -1.355 -4.101 8.726 1.00 0.00 C ATOM 880 CG GLU A 55 -2.339 -4.254 9.889 1.00 0.00 C ATOM 881 CD GLU A 55 -1.606 -4.246 11.232 1.00 0.00 C ATOM 882 OE1 GLU A 55 -0.891 -3.252 11.482 1.00 0.00 O ATOM 883 OE2 GLU A 55 -1.778 -5.235 11.977 1.00 0.00 O ATOM 0 H GLU A 55 -2.385 -5.064 6.670 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.840 -2.752 8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.095 -5.084 8.333 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.431 -3.647 9.084 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.067 -3.443 9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.895 -5.185 9.780 1.00 0.00 H new ATOM 890 N GLU A 56 -0.179 -2.507 6.154 1.00 0.00 N ATOM 891 CA GLU A 56 0.805 -1.581 5.622 1.00 0.00 C ATOM 892 C GLU A 56 0.118 -0.493 4.794 1.00 0.00 C ATOM 893 O GLU A 56 0.428 0.690 4.938 1.00 0.00 O ATOM 894 CB GLU A 56 1.860 -2.317 4.794 1.00 0.00 C ATOM 895 CG GLU A 56 3.260 -1.768 5.074 1.00 0.00 C ATOM 896 CD GLU A 56 3.551 -1.751 6.576 1.00 0.00 C ATOM 897 OE1 GLU A 56 3.974 -2.811 7.084 1.00 0.00 O ATOM 898 OE2 GLU A 56 3.343 -0.678 7.182 1.00 0.00 O ATOM 0 H GLU A 56 -0.202 -3.416 5.692 1.00 0.00 H new ATOM 0 HA GLU A 56 1.316 -1.104 6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.830 -3.382 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.631 -2.215 3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.003 -2.379 4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.346 -0.759 4.672 1.00 0.00 H new ATOM 905 N VAL A 57 -0.800 -0.930 3.946 1.00 0.00 N ATOM 906 CA VAL A 57 -1.533 -0.008 3.096 1.00 0.00 C ATOM 907 C VAL A 57 -2.428 0.878 3.964 1.00 0.00 C ATOM 908 O VAL A 57 -2.786 1.985 3.565 1.00 0.00 O ATOM 909 CB VAL A 57 -2.311 -0.784 2.032 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.652 0.112 0.839 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.538 -2.025 1.583 1.00 0.00 C ATOM 0 H VAL A 57 -1.053 -1.911 3.829 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.846 0.649 2.563 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.248 -1.117 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.205 -0.464 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.262 0.950 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.732 0.490 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.114 -2.558 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.578 -1.724 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.370 -2.679 2.439 1.00 0.00 H new ATOM 921 N LYS A 58 -2.764 0.358 5.136 1.00 0.00 N ATOM 922 CA LYS A 58 -3.610 1.088 6.063 1.00 0.00 C ATOM 923 C LYS A 58 -2.854 2.314 6.581 1.00 0.00 C ATOM 924 O LYS A 58 -3.337 3.439 6.466 1.00 0.00 O ATOM 925 CB LYS A 58 -4.113 0.162 7.172 1.00 0.00 C ATOM 926 CG LYS A 58 -5.481 0.616 7.688 1.00 0.00 C ATOM 927 CD LYS A 58 -6.542 -0.458 7.445 1.00 0.00 C ATOM 928 CE LYS A 58 -7.890 -0.042 8.037 1.00 0.00 C ATOM 929 NZ LYS A 58 -8.984 -0.849 7.453 1.00 0.00 N ATOM 0 H LYS A 58 -2.465 -0.560 5.464 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.503 1.455 5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.183 -0.858 6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.396 0.150 7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.417 0.835 8.754 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.773 1.540 7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.649 -0.632 6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.220 -1.399 7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.874 -0.170 9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.068 1.016 7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.892 -0.554 7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.009 -0.706 6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.821 -1.855 7.659 1.00 0.00 H new ATOM 943 N LYS A 59 -1.682 2.053 7.138 1.00 0.00 N ATOM 944 CA LYS A 59 -0.853 3.121 7.674 1.00 0.00 C ATOM 945 C LYS A 59 -0.817 4.281 6.677 1.00 0.00 C ATOM 946 O LYS A 59 -0.607 5.429 7.064 1.00 0.00 O ATOM 947 CB LYS A 59 0.531 2.588 8.049 1.00 0.00 C ATOM 948 CG LYS A 59 1.230 3.525 9.036 1.00 0.00 C ATOM 949 CD LYS A 59 2.329 2.790 9.807 1.00 0.00 C ATOM 950 CE LYS A 59 2.455 3.330 11.231 1.00 0.00 C ATOM 951 NZ LYS A 59 1.610 2.545 12.159 1.00 0.00 N ATOM 0 H LYS A 59 -1.285 1.118 7.231 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.280 3.508 8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.435 1.596 8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.139 2.481 7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.661 4.369 8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.500 3.932 9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.106 1.724 9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.280 2.902 9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.496 3.286 11.552 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.157 4.378 11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.707 2.925 13.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.616 2.608 11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.913 1.550 12.147 1.00 0.00 H new ATOM 965 N LEU A 60 -1.025 3.940 5.414 1.00 0.00 N ATOM 966 CA LEU A 60 -1.019 4.939 4.359 1.00 0.00 C ATOM 967 C LEU A 60 -2.346 5.700 4.375 1.00 0.00 C ATOM 968 O LEU A 60 -2.390 6.871 4.749 1.00 0.00 O ATOM 969 CB LEU A 60 -0.698 4.292 3.010 1.00 0.00 C ATOM 970 CG LEU A 60 0.760 4.381 2.554 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.327 2.991 2.259 1.00 0.00 C ATOM 972 CD2 LEU A 60 0.904 5.324 1.357 1.00 0.00 C ATOM 0 H LEU A 60 -1.199 2.986 5.097 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.229 5.670 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.980 3.240 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.325 4.756 2.249 1.00 0.00 H new ATOM 0 HG LEU A 60 1.348 4.803 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.364 3.082 1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.279 2.380 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.742 2.519 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.950 5.369 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.301 4.954 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.564 6.321 1.636 1.00 0.00 H new ATOM 984 N GLU A 61 -3.396 5.004 3.964 1.00 0.00 N ATOM 985 CA GLU A 61 -4.721 5.599 3.926 1.00 0.00 C ATOM 986 C GLU A 61 -4.921 6.524 5.128 1.00 0.00 C ATOM 987 O GLU A 61 -5.275 7.691 4.967 1.00 0.00 O ATOM 988 CB GLU A 61 -5.805 4.522 3.878 1.00 0.00 C ATOM 989 CG GLU A 61 -6.009 4.012 2.449 1.00 0.00 C ATOM 990 CD GLU A 61 -7.403 4.371 1.932 1.00 0.00 C ATOM 991 OE1 GLU A 61 -8.356 4.239 2.731 1.00 0.00 O ATOM 992 OE2 GLU A 61 -7.485 4.770 0.750 1.00 0.00 O ATOM 0 H GLU A 61 -3.356 4.033 3.654 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.805 6.193 3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.527 3.692 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.742 4.927 4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.252 4.443 1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.875 2.931 2.422 1.00 0.00 H new ATOM 999 N GLU A 62 -4.685 5.969 6.308 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.835 6.730 7.536 1.00 0.00 C ATOM 1001 C GLU A 62 -4.046 8.037 7.451 1.00 0.00 C ATOM 1002 O GLU A 62 -4.628 9.121 7.480 1.00 0.00 O ATOM 1003 CB GLU A 62 -4.399 5.904 8.750 1.00 0.00 C ATOM 1004 CG GLU A 62 -5.607 5.477 9.586 1.00 0.00 C ATOM 1005 CD GLU A 62 -6.400 6.695 10.064 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -5.836 7.454 10.881 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -7.553 6.839 9.603 1.00 0.00 O ATOM 0 H GLU A 62 -4.391 5.001 6.439 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.890 6.973 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.853 5.022 8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.715 6.489 9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.252 4.828 8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.272 4.896 10.445 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.733 7.893 7.349 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.858 9.051 7.258 1.00 0.00 C ATOM 1016 C GLU A 63 -2.270 9.938 6.082 1.00 0.00 C ATOM 1017 O GLU A 63 -2.504 11.133 6.253 1.00 0.00 O ATOM 1018 CB GLU A 63 -0.394 8.622 7.137 1.00 0.00 C ATOM 1019 CG GLU A 63 0.504 9.482 8.028 1.00 0.00 C ATOM 1020 CD GLU A 63 1.919 9.578 7.452 1.00 0.00 C ATOM 1021 OE1 GLU A 63 2.451 8.511 7.075 1.00 0.00 O ATOM 1022 OE2 GLU A 63 2.435 10.714 7.402 1.00 0.00 O ATOM 0 H GLU A 63 -2.253 6.993 7.327 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.958 9.631 8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.294 7.574 7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.071 8.706 6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.078 10.481 8.124 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.544 9.055 9.030 1.00 0.00 H new ATOM 1029 N ILE A 64 -2.347 9.317 4.914 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.726 10.036 3.709 1.00 0.00 C ATOM 1031 C ILE A 64 -4.028 10.798 3.964 1.00 0.00 C ATOM 1032 O ILE A 64 -4.192 11.925 3.500 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.796 9.081 2.516 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -1.445 8.405 2.274 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -3.307 9.801 1.266 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -1.350 7.862 0.848 1.00 0.00 C ATOM 0 H ILE A 64 -2.154 8.325 4.776 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.968 10.776 3.452 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.513 8.294 2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.641 9.119 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.309 7.591 2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.347 9.099 0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.305 10.196 1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.633 10.621 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.380 7.387 0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.141 7.130 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.462 8.682 0.138 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.921 10.151 4.700 1.00 0.00 N ATOM 1049 CA LYS A 65 -6.203 10.754 5.022 1.00 0.00 C ATOM 1050 C LYS A 65 -5.981 11.952 5.946 1.00 0.00 C ATOM 1051 O LYS A 65 -6.789 12.878 5.972 1.00 0.00 O ATOM 1052 CB LYS A 65 -7.160 9.705 5.593 1.00 0.00 C ATOM 1053 CG LYS A 65 -7.794 8.874 4.475 1.00 0.00 C ATOM 1054 CD LYS A 65 -9.111 9.495 4.010 1.00 0.00 C ATOM 1055 CE LYS A 65 -9.996 8.454 3.321 1.00 0.00 C ATOM 1056 NZ LYS A 65 -10.782 7.698 4.322 1.00 0.00 N ATOM 0 H LYS A 65 -4.782 9.216 5.082 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.683 11.133 4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.621 9.050 6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.941 10.197 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.104 8.803 3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.972 7.858 4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.639 9.918 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.907 10.316 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.668 8.947 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.378 7.768 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.377 6.996 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.136 7.212 4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.386 8.354 4.857 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.880 11.896 6.681 1.00 0.00 N ATOM 1071 CA LYS A 66 -4.542 12.965 7.605 1.00 0.00 C ATOM 1072 C LYS A 66 -3.704 14.017 6.875 1.00 0.00 C ATOM 1073 O LYS A 66 -3.772 15.202 7.198 1.00 0.00 O ATOM 1074 CB LYS A 66 -3.865 12.400 8.855 1.00 0.00 C ATOM 1075 CG LYS A 66 -4.410 13.062 10.121 1.00 0.00 C ATOM 1076 CD LYS A 66 -3.284 13.716 10.926 1.00 0.00 C ATOM 1077 CE LYS A 66 -3.770 14.125 12.317 1.00 0.00 C ATOM 1078 NZ LYS A 66 -3.725 15.597 12.470 1.00 0.00 N ATOM 0 H LYS A 66 -4.211 11.127 6.655 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.445 13.463 7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.027 11.323 8.905 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.788 12.558 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.153 13.813 9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.917 12.318 10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.448 13.022 11.018 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.914 14.592 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.788 13.768 12.472 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.148 13.655 13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.058 15.858 13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.748 15.930 12.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.337 16.039 11.755 1.00 0.00 H new ATOM 1092 N LEU A 67 -2.935 13.546 5.905 1.00 0.00 N ATOM 1093 CA LEU A 67 -2.085 14.431 5.126 1.00 0.00 C ATOM 1094 C LEU A 67 -2.943 15.534 4.501 1.00 0.00 C ATOM 1095 O LEU A 67 -4.126 15.329 4.234 1.00 0.00 O ATOM 1096 CB LEU A 67 -1.271 13.633 4.107 1.00 0.00 C ATOM 1097 CG LEU A 67 -0.037 12.912 4.651 1.00 0.00 C ATOM 1098 CD1 LEU A 67 0.252 11.640 3.852 1.00 0.00 C ATOM 1099 CD2 LEU A 67 1.172 13.850 4.691 1.00 0.00 C ATOM 0 H LEU A 67 -2.882 12.562 5.640 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.354 14.921 5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.926 12.893 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.952 14.311 3.316 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.244 12.608 5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.134 11.147 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.603 10.967 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.431 11.899 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.036 13.313 5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.390 14.205 3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.951 14.701 5.336 1.00 0.00 H new