USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 155:sc= -0.0096 (180deg=-0.31) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.188) USER MOD Single : A 12 LYS NZ :NH3+ -103:sc= 0.0173 (180deg=-0.205) USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= -0.537 (180deg=-0.64) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= -0.791 (180deg=-1.73) USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.377) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0382 (180deg=-0.306) USER MOD Single : A 34 TYR OH : rot 152:sc= -10.9! USER MOD Single : A 38 LYS NZ :NH3+ -139:sc= -1.26 (180deg=-3.63!) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00131) 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+ -154:sc= -1.12 (180deg=-1.49!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.056 -5.561 9.180 1.00 0.00 N ATOM 2 CA GLY A 1 -15.155 -6.527 8.050 1.00 0.00 C ATOM 3 C GLY A 1 -15.648 -5.876 6.772 1.00 0.00 C ATOM 4 O GLY A 1 -15.031 -6.019 5.717 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.715 -6.054 10.030 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.391 -4.802 8.930 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.993 -5.152 9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.177 -6.975 7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.831 -7.336 8.326 1.00 0.00 H new ATOM 10 N SER A 2 -16.762 -5.159 6.867 1.00 0.00 N ATOM 11 CA SER A 2 -17.339 -4.483 5.710 1.00 0.00 C ATOM 12 C SER A 2 -16.653 -3.142 5.449 1.00 0.00 C ATOM 13 O SER A 2 -16.924 -2.485 4.444 1.00 0.00 O ATOM 14 CB SER A 2 -18.839 -4.268 5.917 1.00 0.00 C ATOM 15 OG SER A 2 -19.590 -5.326 5.348 1.00 0.00 O ATOM 0 H SER A 2 -17.284 -5.031 7.734 1.00 0.00 H new ATOM 0 HA SER A 2 -17.182 -5.120 4.840 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.055 -4.197 6.983 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.139 -3.322 5.467 1.00 0.00 H new ATOM 0 HG SER A 2 -20.545 -5.165 5.496 1.00 0.00 H new ATOM 21 N ARG A 3 -15.766 -2.738 6.355 1.00 0.00 N ATOM 22 CA ARG A 3 -15.051 -1.474 6.212 1.00 0.00 C ATOM 23 C ARG A 3 -13.547 -1.705 6.093 1.00 0.00 C ATOM 24 O ARG A 3 -12.866 -1.035 5.317 1.00 0.00 O ATOM 25 CB ARG A 3 -15.349 -0.555 7.398 1.00 0.00 C ATOM 26 CG ARG A 3 -15.008 -1.168 8.748 1.00 0.00 C ATOM 27 CD ARG A 3 -13.702 -0.618 9.295 1.00 0.00 C ATOM 28 NE ARG A 3 -13.887 0.669 9.964 1.00 0.00 N ATOM 29 CZ ARG A 3 -14.583 0.826 11.087 1.00 0.00 C ATOM 30 NH1 ARG A 3 -15.152 -0.218 11.676 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -14.710 2.031 11.625 1.00 0.00 N ATOM 0 H ARG A 3 -15.526 -3.267 7.194 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.397 -0.994 5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.788 0.372 7.278 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.407 -0.292 7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.813 -0.966 9.454 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.935 -2.251 8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.273 -1.333 9.997 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.987 -0.504 8.480 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.458 1.494 9.546 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.057 -1.148 11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.684 -0.091 12.537 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.274 2.838 11.178 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.244 2.151 12.486 1.00 0.00 H new ATOM 45 N VAL A 4 -13.035 -2.659 6.864 1.00 0.00 N ATOM 46 CA VAL A 4 -11.613 -2.980 6.841 1.00 0.00 C ATOM 47 C VAL A 4 -11.234 -3.698 5.551 1.00 0.00 C ATOM 48 O VAL A 4 -10.221 -3.381 4.928 1.00 0.00 O ATOM 49 CB VAL A 4 -11.216 -3.861 8.041 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.711 -4.073 8.078 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.707 -3.243 9.342 1.00 0.00 C ATOM 0 H VAL A 4 -13.584 -3.223 7.513 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.074 -2.034 6.900 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.692 -4.835 7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.452 -4.698 8.933 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.390 -4.564 7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.210 -3.109 8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.418 -3.879 10.179 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.263 -2.255 9.466 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.793 -3.152 9.314 1.00 0.00 H new ATOM 61 N LYS A 5 -12.054 -4.668 5.151 1.00 0.00 N ATOM 62 CA LYS A 5 -11.799 -5.425 3.930 1.00 0.00 C ATOM 63 C LYS A 5 -11.719 -4.491 2.729 1.00 0.00 C ATOM 64 O LYS A 5 -10.830 -4.620 1.893 1.00 0.00 O ATOM 65 CB LYS A 5 -12.890 -6.476 3.709 1.00 0.00 C ATOM 66 CG LYS A 5 -12.832 -7.140 2.339 1.00 0.00 C ATOM 67 CD LYS A 5 -11.437 -7.656 2.026 1.00 0.00 C ATOM 68 CE LYS A 5 -11.469 -9.094 1.531 1.00 0.00 C ATOM 69 NZ LYS A 5 -12.380 -9.260 0.365 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.897 -4.946 5.653 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.842 -5.935 4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.804 -7.243 4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.866 -6.006 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.542 -7.966 2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.136 -6.425 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.975 -7.021 1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.816 -7.592 2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.462 -9.404 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.792 -9.749 2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.080 -10.083 -0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.353 -9.408 0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.345 -8.406 -0.227 1.00 0.00 H new ATOM 83 N ALA A 6 -12.647 -3.543 2.658 1.00 0.00 N ATOM 84 CA ALA A 6 -12.670 -2.580 1.565 1.00 0.00 C ATOM 85 C ALA A 6 -11.344 -1.836 1.494 1.00 0.00 C ATOM 86 O ALA A 6 -10.853 -1.508 0.415 1.00 0.00 O ATOM 87 CB ALA A 6 -13.823 -1.606 1.743 1.00 0.00 C ATOM 0 H ALA A 6 -13.392 -3.421 3.344 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.817 -3.116 0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.827 -0.893 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.765 -2.155 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.705 -1.071 2.685 1.00 0.00 H new ATOM 93 N LEU A 7 -10.768 -1.584 2.664 1.00 0.00 N ATOM 94 CA LEU A 7 -9.492 -0.890 2.770 1.00 0.00 C ATOM 95 C LEU A 7 -8.404 -1.647 2.013 1.00 0.00 C ATOM 96 O LEU A 7 -7.549 -1.046 1.362 1.00 0.00 O ATOM 97 CB LEU A 7 -9.107 -0.768 4.245 1.00 0.00 C ATOM 98 CG LEU A 7 -8.346 0.500 4.622 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.983 0.526 3.948 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.152 1.737 4.257 1.00 0.00 C ATOM 0 H LEU A 7 -11.171 -1.854 3.561 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.590 0.102 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.016 -0.818 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.498 -1.631 4.516 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.192 0.500 5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.456 1.438 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.404 -0.341 4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.112 0.500 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.592 2.631 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.340 1.745 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.102 1.723 4.792 1.00 0.00 H new ATOM 112 N GLU A 8 -8.446 -2.968 2.111 1.00 0.00 N ATOM 113 CA GLU A 8 -7.471 -3.825 1.445 1.00 0.00 C ATOM 114 C GLU A 8 -7.614 -3.760 -0.078 1.00 0.00 C ATOM 115 O GLU A 8 -6.636 -3.913 -0.809 1.00 0.00 O ATOM 116 CB GLU A 8 -7.621 -5.274 1.938 1.00 0.00 C ATOM 117 CG GLU A 8 -8.559 -6.133 1.098 1.00 0.00 C ATOM 118 CD GLU A 8 -7.836 -6.868 -0.013 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.297 -7.963 0.252 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -7.810 -6.349 -1.149 1.00 0.00 O ATOM 0 H GLU A 8 -9.149 -3.474 2.649 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.474 -3.463 1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.637 -5.742 1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.985 -5.259 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.058 -6.856 1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.335 -5.501 0.666 1.00 0.00 H new ATOM 127 N GLU A 9 -8.840 -3.554 -0.546 1.00 0.00 N ATOM 128 CA GLU A 9 -9.122 -3.492 -1.977 1.00 0.00 C ATOM 129 C GLU A 9 -8.489 -2.269 -2.639 1.00 0.00 C ATOM 130 O GLU A 9 -8.042 -2.340 -3.781 1.00 0.00 O ATOM 131 CB GLU A 9 -10.634 -3.479 -2.214 1.00 0.00 C ATOM 132 CG GLU A 9 -11.267 -4.861 -2.173 1.00 0.00 C ATOM 133 CD GLU A 9 -12.191 -5.115 -3.348 1.00 0.00 C ATOM 134 OE1 GLU A 9 -13.176 -4.363 -3.503 1.00 0.00 O ATOM 135 OE2 GLU A 9 -11.929 -6.068 -4.114 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.659 -3.426 0.048 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.681 -4.380 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.106 -2.849 -1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.838 -3.023 -3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.481 -5.616 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.827 -4.973 -1.245 1.00 0.00 H new ATOM 142 N LYS A 10 -8.470 -1.146 -1.929 1.00 0.00 N ATOM 143 CA LYS A 10 -7.908 0.090 -2.470 1.00 0.00 C ATOM 144 C LYS A 10 -6.383 0.029 -2.558 1.00 0.00 C ATOM 145 O LYS A 10 -5.782 0.588 -3.475 1.00 0.00 O ATOM 146 CB LYS A 10 -8.336 1.286 -1.616 1.00 0.00 C ATOM 147 CG LYS A 10 -7.889 1.197 -0.166 1.00 0.00 C ATOM 148 CD LYS A 10 -7.737 2.577 0.454 1.00 0.00 C ATOM 149 CE LYS A 10 -9.045 3.064 1.055 1.00 0.00 C ATOM 150 NZ LYS A 10 -9.925 3.697 0.034 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.836 -1.064 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.295 0.211 -3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.931 2.198 -2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.422 1.372 -1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.615 0.618 0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.940 0.664 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.969 2.547 1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.399 3.283 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.568 2.225 1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.835 3.782 1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.657 4.263 0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.356 4.313 -0.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.378 2.958 -0.541 1.00 0.00 H new ATOM 164 N VAL A 11 -5.762 -0.643 -1.595 1.00 0.00 N ATOM 165 CA VAL A 11 -4.306 -0.768 -1.559 1.00 0.00 C ATOM 166 C VAL A 11 -3.778 -1.584 -2.740 1.00 0.00 C ATOM 167 O VAL A 11 -2.724 -1.279 -3.298 1.00 0.00 O ATOM 168 CB VAL A 11 -3.845 -1.431 -0.245 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.328 -1.506 -0.177 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.402 -0.679 0.954 1.00 0.00 C ATOM 0 H VAL A 11 -6.243 -1.111 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.901 0.242 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.232 -2.450 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.029 -1.977 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.955 -2.094 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.911 -0.500 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.067 -1.160 1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.047 0.352 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.491 -0.689 0.916 1.00 0.00 H new ATOM 180 N LYS A 12 -4.517 -2.623 -3.106 1.00 0.00 N ATOM 181 CA LYS A 12 -4.136 -3.497 -4.210 1.00 0.00 C ATOM 182 C LYS A 12 -4.253 -2.783 -5.545 1.00 0.00 C ATOM 183 O LYS A 12 -3.431 -2.979 -6.439 1.00 0.00 O ATOM 184 CB LYS A 12 -5.000 -4.755 -4.217 1.00 0.00 C ATOM 185 CG LYS A 12 -4.301 -5.963 -4.816 1.00 0.00 C ATOM 186 CD LYS A 12 -4.824 -7.253 -4.211 1.00 0.00 C ATOM 187 CE LYS A 12 -3.925 -8.433 -4.544 1.00 0.00 C ATOM 188 NZ LYS A 12 -2.617 -8.352 -3.836 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.392 -2.883 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.093 -3.780 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.299 -4.987 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.913 -4.557 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.452 -5.976 -5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.227 -5.887 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.897 -7.145 -3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.831 -7.447 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.428 -9.361 -4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.754 -8.467 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.882 -8.035 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.689 -7.675 -3.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.365 -9.290 -3.463 1.00 0.00 H new ATOM 202 N ALA A 13 -5.280 -1.956 -5.678 1.00 0.00 N ATOM 203 CA ALA A 13 -5.495 -1.219 -6.911 1.00 0.00 C ATOM 204 C ALA A 13 -4.259 -0.401 -7.244 1.00 0.00 C ATOM 205 O ALA A 13 -3.887 -0.262 -8.408 1.00 0.00 O ATOM 206 CB ALA A 13 -6.716 -0.319 -6.789 1.00 0.00 C ATOM 0 H ALA A 13 -5.973 -1.780 -4.951 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.676 -1.928 -7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.861 0.225 -7.722 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.597 -0.927 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.565 0.390 -5.975 1.00 0.00 H new ATOM 212 N LEU A 14 -3.605 0.110 -6.207 1.00 0.00 N ATOM 213 CA LEU A 14 -2.383 0.880 -6.395 1.00 0.00 C ATOM 214 C LEU A 14 -1.248 -0.036 -6.834 1.00 0.00 C ATOM 215 O LEU A 14 -0.345 0.377 -7.550 1.00 0.00 O ATOM 216 CB LEU A 14 -1.988 1.621 -5.120 1.00 0.00 C ATOM 217 CG LEU A 14 -1.152 2.882 -5.357 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.396 3.905 -4.259 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.327 2.530 -5.453 1.00 0.00 C ATOM 0 H LEU A 14 -3.898 0.006 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.573 1.621 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.893 1.896 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.426 0.942 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.460 3.326 -6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.792 4.792 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.451 4.180 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.121 3.477 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.907 3.437 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.650 2.060 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.484 1.840 -6.282 1.00 0.00 H new ATOM 231 N GLU A 15 -1.303 -1.282 -6.381 1.00 0.00 N ATOM 232 CA GLU A 15 -0.283 -2.275 -6.705 1.00 0.00 C ATOM 233 C GLU A 15 -0.035 -2.379 -8.211 1.00 0.00 C ATOM 234 O GLU A 15 1.099 -2.558 -8.653 1.00 0.00 O ATOM 235 CB GLU A 15 -0.711 -3.638 -6.162 1.00 0.00 C ATOM 236 CG GLU A 15 0.408 -4.659 -6.134 1.00 0.00 C ATOM 237 CD GLU A 15 -0.032 -6.025 -6.622 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.030 -6.246 -7.851 1.00 0.00 O1- ATOM 239 OE2 GLU A 15 -0.379 -6.874 -5.774 1.00 0.00 O ATOM 0 H GLU A 15 -2.051 -1.633 -5.782 1.00 0.00 H new ATOM 0 HA GLU A 15 0.650 -1.956 -6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.101 -3.511 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.527 -4.023 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.232 -4.305 -6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.788 -4.747 -5.116 1.00 0.00 H new ATOM 246 N GLU A 16 -1.107 -2.287 -8.985 1.00 0.00 N ATOM 247 CA GLU A 16 -1.034 -2.392 -10.443 1.00 0.00 C ATOM 248 C GLU A 16 -0.272 -1.226 -11.063 1.00 0.00 C ATOM 249 O GLU A 16 0.422 -1.395 -12.064 1.00 0.00 O ATOM 250 CB GLU A 16 -2.441 -2.476 -11.042 1.00 0.00 C ATOM 251 CG GLU A 16 -3.229 -1.180 -10.949 1.00 0.00 C ATOM 252 CD GLU A 16 -3.379 -0.491 -12.292 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.121 -1.014 -13.148 1.00 0.00 O1- ATOM 254 OE2 GLU A 16 -2.754 0.573 -12.486 1.00 0.00 O ATOM 0 H GLU A 16 -2.050 -2.138 -8.626 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.486 -3.305 -10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.362 -2.767 -12.089 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.996 -3.264 -10.533 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.217 -1.389 -10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.731 -0.506 -10.252 1.00 0.00 H new ATOM 261 N LYS A 17 -0.407 -0.047 -10.472 1.00 0.00 N ATOM 262 CA LYS A 17 0.271 1.137 -10.981 1.00 0.00 C ATOM 263 C LYS A 17 1.777 1.042 -10.751 1.00 0.00 C ATOM 264 O LYS A 17 2.567 1.594 -11.516 1.00 0.00 O ATOM 265 CB LYS A 17 -0.300 2.413 -10.343 1.00 0.00 C ATOM 266 CG LYS A 17 0.093 2.623 -8.888 1.00 0.00 C ATOM 267 CD LYS A 17 0.542 4.053 -8.627 1.00 0.00 C ATOM 268 CE LYS A 17 -0.503 5.062 -9.080 1.00 0.00 C ATOM 269 NZ LYS A 17 -1.829 4.807 -8.454 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.978 0.115 -9.642 1.00 0.00 H new ATOM 0 HA LYS A 17 0.096 1.190 -12.055 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.032 3.274 -10.923 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.387 2.383 -10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.754 2.384 -8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.897 1.935 -8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.738 4.185 -7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.480 4.241 -9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.170 6.068 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.600 5.022 -10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.536 5.450 -8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.113 3.822 -8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.766 4.970 -7.429 1.00 0.00 H new ATOM 283 N VAL A 18 2.166 0.347 -9.686 1.00 0.00 N ATOM 284 CA VAL A 18 3.579 0.190 -9.348 1.00 0.00 C ATOM 285 C VAL A 18 4.311 -0.674 -10.370 1.00 0.00 C ATOM 286 O VAL A 18 5.403 -0.328 -10.820 1.00 0.00 O ATOM 287 CB VAL A 18 3.750 -0.436 -7.949 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.216 -0.451 -7.544 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.913 0.310 -6.921 1.00 0.00 C ATOM 0 H VAL A 18 1.524 -0.116 -9.042 1.00 0.00 H new ATOM 0 HA VAL A 18 4.014 1.190 -9.355 1.00 0.00 H new ATOM 0 HB VAL A 18 3.398 -1.467 -7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.315 -0.896 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.787 -1.037 -8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.598 0.570 -7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.048 -0.147 -5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.229 1.352 -6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.861 0.260 -7.203 1.00 0.00 H new ATOM 299 N LYS A 19 3.708 -1.800 -10.733 1.00 0.00 N ATOM 300 CA LYS A 19 4.307 -2.714 -11.702 1.00 0.00 C ATOM 301 C LYS A 19 4.297 -2.115 -13.106 1.00 0.00 C ATOM 302 O LYS A 19 5.087 -2.508 -13.965 1.00 0.00 O ATOM 303 CB LYS A 19 3.560 -4.048 -11.702 1.00 0.00 C ATOM 304 CG LYS A 19 2.093 -3.924 -12.078 1.00 0.00 C ATOM 305 CD LYS A 19 1.589 -5.177 -12.777 1.00 0.00 C ATOM 306 CE LYS A 19 1.450 -6.338 -11.806 1.00 0.00 C ATOM 307 NZ LYS A 19 0.325 -7.240 -12.178 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.804 -2.103 -10.371 1.00 0.00 H new ATOM 0 HA LYS A 19 5.343 -2.881 -11.409 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.049 -4.729 -12.399 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.636 -4.497 -10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.500 -3.743 -11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.955 -3.062 -12.730 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.625 -4.973 -13.242 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.277 -5.451 -13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.380 -6.907 -11.784 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.289 -5.952 -10.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.263 -8.019 -11.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.566 -6.704 -12.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.491 -7.628 -13.128 1.00 0.00 H new ATOM 321 N ALA A 20 3.393 -1.169 -13.334 1.00 0.00 N ATOM 322 CA ALA A 20 3.270 -0.523 -14.634 1.00 0.00 C ATOM 323 C ALA A 20 4.285 0.606 -14.804 1.00 0.00 C ATOM 324 O ALA A 20 4.588 1.011 -15.926 1.00 0.00 O ATOM 325 CB ALA A 20 1.854 0.001 -14.819 1.00 0.00 C ATOM 0 H ALA A 20 2.733 -0.832 -12.633 1.00 0.00 H new ATOM 0 HA ALA A 20 3.482 -1.268 -15.401 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.769 0.483 -15.793 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.149 -0.828 -14.761 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.628 0.724 -14.035 1.00 0.00 H new ATOM 331 N LEU A 21 4.804 1.114 -13.690 1.00 0.00 N ATOM 332 CA LEU A 21 5.780 2.198 -13.732 1.00 0.00 C ATOM 333 C LEU A 21 7.119 1.708 -14.279 1.00 0.00 C ATOM 334 O LEU A 21 7.815 2.436 -14.987 1.00 0.00 O ATOM 335 CB LEU A 21 5.965 2.806 -12.336 1.00 0.00 C ATOM 336 CG LEU A 21 6.909 2.040 -11.403 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.325 2.584 -11.513 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.416 2.117 -9.964 1.00 0.00 C ATOM 0 H LEU A 21 4.566 0.794 -12.751 1.00 0.00 H new ATOM 0 HA LEU A 21 5.400 2.969 -14.403 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.340 3.823 -12.449 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.988 2.877 -11.857 1.00 0.00 H new ATOM 0 HG LEU A 21 6.919 0.993 -11.707 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.981 2.028 -10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.677 2.476 -12.539 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.332 3.638 -11.236 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.099 1.568 -9.316 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.376 3.160 -9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.420 1.679 -9.897 1.00 0.00 H new ATOM 350 N GLY A 22 7.474 0.471 -13.945 1.00 0.00 N ATOM 351 CA GLY A 22 8.728 -0.092 -14.411 1.00 0.00 C ATOM 352 C GLY A 22 8.938 -1.516 -13.936 1.00 0.00 C ATOM 353 O GLY A 22 7.975 -2.244 -13.690 1.00 0.00 O ATOM 0 H GLY A 22 6.916 -0.151 -13.360 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.750 -0.069 -15.501 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.553 0.529 -14.062 1.00 0.00 H new ATOM 357 N GLY A 23 10.199 -1.917 -13.809 1.00 0.00 N ATOM 358 CA GLY A 23 10.507 -3.262 -13.363 1.00 0.00 C ATOM 359 C GLY A 23 11.954 -3.641 -13.612 1.00 0.00 C ATOM 360 O GLY A 23 12.313 -4.053 -14.715 1.00 0.00 O ATOM 0 H GLY A 23 11.012 -1.334 -14.007 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.291 -3.346 -12.298 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.856 -3.969 -13.877 1.00 0.00 H new ATOM 364 N GLY A 24 12.787 -3.501 -12.584 1.00 0.00 N ATOM 365 CA GLY A 24 14.191 -3.838 -12.721 1.00 0.00 C ATOM 366 C GLY A 24 15.034 -3.307 -11.578 1.00 0.00 C ATOM 367 O GLY A 24 16.024 -2.610 -11.800 1.00 0.00 O ATOM 0 H GLY A 24 12.515 -3.161 -11.662 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.297 -4.922 -12.772 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.567 -3.436 -13.662 1.00 0.00 H new ATOM 371 N GLY A 25 14.644 -3.639 -10.350 1.00 0.00 N ATOM 372 CA GLY A 25 15.387 -3.183 -9.188 1.00 0.00 C ATOM 373 C GLY A 25 14.569 -2.276 -8.290 1.00 0.00 C ATOM 374 O GLY A 25 13.836 -2.749 -7.421 1.00 0.00 O ATOM 0 H GLY A 25 13.829 -4.214 -10.139 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.724 -4.047 -8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.280 -2.652 -9.518 1.00 0.00 H new ATOM 378 N ARG A 26 14.697 -0.969 -8.498 1.00 0.00 N ATOM 379 CA ARG A 26 13.968 0.012 -7.698 1.00 0.00 C ATOM 380 C ARG A 26 12.469 -0.274 -7.709 1.00 0.00 C ATOM 381 O ARG A 26 11.802 -0.161 -6.685 1.00 0.00 O ATOM 382 CB ARG A 26 14.234 1.427 -8.223 1.00 0.00 C ATOM 383 CG ARG A 26 13.339 2.490 -7.601 1.00 0.00 C ATOM 384 CD ARG A 26 13.832 3.891 -7.917 1.00 0.00 C ATOM 385 NE ARG A 26 14.804 4.364 -6.935 1.00 0.00 N ATOM 386 CZ ARG A 26 15.655 5.364 -7.155 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.656 6.000 -8.319 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 16.508 5.728 -6.207 1.00 0.00 N ATOM 0 H ARG A 26 15.299 -0.563 -9.214 1.00 0.00 H new ATOM 0 HA ARG A 26 14.323 -0.062 -6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.276 1.685 -8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.096 1.436 -9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.320 2.370 -7.970 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.305 2.351 -6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.284 3.901 -8.909 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.984 4.575 -7.947 1.00 0.00 H new ATOM 0 HE ARG A 26 14.833 3.901 -6.027 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.002 5.724 -9.052 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.310 6.765 -8.481 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.512 5.242 -5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.160 6.494 -6.375 1.00 0.00 H new ATOM 402 N ILE A 27 11.948 -0.627 -8.876 1.00 0.00 N ATOM 403 CA ILE A 27 10.525 -0.922 -9.027 1.00 0.00 C ATOM 404 C ILE A 27 10.121 -2.199 -8.287 1.00 0.00 C ATOM 405 O ILE A 27 9.086 -2.241 -7.623 1.00 0.00 O ATOM 406 CB ILE A 27 10.125 -1.065 -10.512 1.00 0.00 C ATOM 407 CG1 ILE A 27 10.926 -0.103 -11.399 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.633 -0.823 -10.680 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.031 1.301 -10.841 1.00 0.00 C ATOM 0 H ILE A 27 12.489 -0.717 -9.736 1.00 0.00 H new ATOM 0 HA ILE A 27 9.998 -0.074 -8.589 1.00 0.00 H new ATOM 0 HB ILE A 27 10.357 -2.082 -10.828 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.930 -0.504 -11.539 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.460 -0.059 -12.383 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.364 -0.927 -11.731 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.077 -1.552 -10.090 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.387 0.183 -10.340 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.611 1.921 -11.524 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.032 1.723 -10.727 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.525 1.271 -9.870 1.00 0.00 H new ATOM 421 N GLU A 28 10.929 -3.246 -8.437 1.00 0.00 N ATOM 422 CA GLU A 28 10.648 -4.543 -7.817 1.00 0.00 C ATOM 423 C GLU A 28 10.622 -4.475 -6.290 1.00 0.00 C ATOM 424 O GLU A 28 9.717 -5.013 -5.657 1.00 0.00 O ATOM 425 CB GLU A 28 11.688 -5.571 -8.266 1.00 0.00 C ATOM 426 CG GLU A 28 11.538 -5.994 -9.718 1.00 0.00 C ATOM 427 CD GLU A 28 11.686 -7.491 -9.907 1.00 0.00 C ATOM 428 OE1 GLU A 28 12.392 -8.126 -9.096 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 11.095 -8.029 -10.868 1.00 0.00 O ATOM 0 H GLU A 28 11.789 -3.223 -8.985 1.00 0.00 H new ATOM 0 HA GLU A 28 9.653 -4.843 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.685 -5.155 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.613 -6.453 -7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.561 -5.680 -10.085 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.286 -5.480 -10.322 1.00 0.00 H new ATOM 436 N GLU A 29 11.620 -3.834 -5.703 1.00 0.00 N ATOM 437 CA GLU A 29 11.707 -3.723 -4.248 1.00 0.00 C ATOM 438 C GLU A 29 10.532 -2.935 -3.672 1.00 0.00 C ATOM 439 O GLU A 29 10.024 -3.251 -2.595 1.00 0.00 O ATOM 440 CB GLU A 29 13.027 -3.064 -3.842 1.00 0.00 C ATOM 441 CG GLU A 29 13.294 -1.746 -4.548 1.00 0.00 C ATOM 442 CD GLU A 29 12.998 -0.545 -3.672 1.00 0.00 C ATOM 443 OE1 GLU A 29 12.184 -0.680 -2.735 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 13.579 0.532 -3.924 1.00 0.00 O ATOM 0 H GLU A 29 12.382 -3.382 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 29 11.668 -4.732 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.022 -2.895 -2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.846 -3.751 -4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.337 -1.712 -4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.685 -1.692 -5.450 1.00 0.00 H new ATOM 451 N LEU A 30 10.125 -1.893 -4.384 1.00 0.00 N ATOM 452 CA LEU A 30 9.036 -1.028 -3.949 1.00 0.00 C ATOM 453 C LEU A 30 7.734 -1.800 -3.731 1.00 0.00 C ATOM 454 O LEU A 30 7.061 -1.615 -2.716 1.00 0.00 O ATOM 455 CB LEU A 30 8.824 0.068 -4.993 1.00 0.00 C ATOM 456 CG LEU A 30 8.630 1.476 -4.434 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.952 2.030 -3.923 1.00 0.00 C ATOM 458 CD2 LEU A 30 8.045 2.391 -5.498 1.00 0.00 C ATOM 0 H LEU A 30 10.539 -1.624 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 30 9.314 -0.592 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.682 0.077 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.952 -0.190 -5.594 1.00 0.00 H new ATOM 0 HG LEU A 30 7.931 1.426 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.797 3.034 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.336 1.384 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.671 2.069 -4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.912 3.391 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.723 2.437 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.080 2.001 -5.822 1.00 0.00 H new ATOM 470 N LYS A 31 7.379 -2.660 -4.679 1.00 0.00 N ATOM 471 CA LYS A 31 6.150 -3.445 -4.567 1.00 0.00 C ATOM 472 C LYS A 31 6.230 -4.435 -3.415 1.00 0.00 C ATOM 473 O LYS A 31 5.226 -4.717 -2.767 1.00 0.00 O ATOM 474 CB LYS A 31 5.803 -4.178 -5.868 1.00 0.00 C ATOM 475 CG LYS A 31 7.000 -4.560 -6.722 1.00 0.00 C ATOM 476 CD LYS A 31 6.581 -5.371 -7.941 1.00 0.00 C ATOM 477 CE LYS A 31 7.146 -4.788 -9.227 1.00 0.00 C ATOM 478 NZ LYS A 31 8.049 -5.747 -9.921 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.918 -2.832 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 31 5.349 -2.733 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.247 -5.082 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.140 -3.546 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.520 -3.658 -7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.705 -5.138 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.922 -6.400 -7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.493 -5.400 -8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.327 -4.514 -9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.693 -3.873 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.677 -5.227 -10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.621 -6.257 -9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.481 -6.428 -10.464 1.00 0.00 H new ATOM 492 N LYS A 32 7.423 -4.966 -3.167 1.00 0.00 N ATOM 493 CA LYS A 32 7.614 -5.931 -2.089 1.00 0.00 C ATOM 494 C LYS A 32 7.151 -5.334 -0.765 1.00 0.00 C ATOM 495 O LYS A 32 6.519 -6.010 0.046 1.00 0.00 O ATOM 496 CB LYS A 32 9.084 -6.342 -1.995 1.00 0.00 C ATOM 497 CG LYS A 32 9.561 -7.165 -3.180 1.00 0.00 C ATOM 498 CD LYS A 32 11.025 -7.550 -3.039 1.00 0.00 C ATOM 499 CE LYS A 32 11.734 -7.545 -4.384 1.00 0.00 C ATOM 500 NZ LYS A 32 10.944 -8.249 -5.431 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.268 -4.746 -3.694 1.00 0.00 H new ATOM 0 HA LYS A 32 7.018 -6.818 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.699 -5.446 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.235 -6.915 -1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.954 -8.066 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.420 -6.596 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.522 -6.855 -2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.100 -8.541 -2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.914 -6.516 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.709 -8.022 -4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.582 -8.582 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.453 -9.062 -5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.244 -7.595 -5.836 1.00 0.00 H new ATOM 514 N LYS A 33 7.447 -4.056 -0.567 1.00 0.00 N ATOM 515 CA LYS A 33 7.037 -3.358 0.642 1.00 0.00 C ATOM 516 C LYS A 33 5.515 -3.291 0.707 1.00 0.00 C ATOM 517 O LYS A 33 4.921 -3.375 1.782 1.00 0.00 O ATOM 518 CB LYS A 33 7.629 -1.946 0.675 1.00 0.00 C ATOM 519 CG LYS A 33 7.393 -1.218 1.988 1.00 0.00 C ATOM 520 CD LYS A 33 8.493 -0.208 2.271 1.00 0.00 C ATOM 521 CE LYS A 33 9.786 -0.891 2.683 1.00 0.00 C ATOM 522 NZ LYS A 33 9.655 -1.580 3.998 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.970 -3.482 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 33 7.409 -3.907 1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.702 -2.006 0.490 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.198 -1.361 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.430 -0.709 1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.343 -1.941 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.668 0.399 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.171 0.470 3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.073 -1.615 1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.585 -0.152 2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.601 -1.766 4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.122 -0.975 4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.150 -2.480 3.870 1.00 0.00 H new ATOM 536 N TYR A 34 4.895 -3.140 -0.461 1.00 0.00 N ATOM 537 CA TYR A 34 3.442 -3.062 -0.560 1.00 0.00 C ATOM 538 C TYR A 34 2.783 -4.295 0.053 1.00 0.00 C ATOM 539 O TYR A 34 1.738 -4.192 0.691 1.00 0.00 O ATOM 540 CB TYR A 34 3.015 -2.903 -2.025 1.00 0.00 C ATOM 541 CG TYR A 34 2.200 -1.655 -2.277 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.871 -1.579 -1.880 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.761 -0.551 -2.906 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.125 -0.439 -2.105 1.00 0.00 C ATOM 545 CE2 TYR A 34 2.021 0.594 -3.131 1.00 0.00 C ATOM 546 CZ TYR A 34 0.703 0.643 -2.729 1.00 0.00 C ATOM 547 OH TYR A 34 -0.039 1.780 -2.945 1.00 0.00 O ATOM 0 H TYR A 34 5.380 -3.069 -1.355 1.00 0.00 H new ATOM 0 HA TYR A 34 3.112 -2.187 0.000 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.904 -2.882 -2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.433 -3.775 -2.324 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.414 -2.425 -1.388 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.792 -0.588 -3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.908 -0.397 -1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.472 1.445 -3.619 1.00 0.00 H new ATOM 0 HH TYR A 34 0.555 2.560 -2.963 1.00 0.00 H new ATOM 557 N GLU A 35 3.398 -5.459 -0.138 1.00 0.00 N ATOM 558 CA GLU A 35 2.864 -6.703 0.407 1.00 0.00 C ATOM 559 C GLU A 35 2.700 -6.592 1.919 1.00 0.00 C ATOM 560 O GLU A 35 1.707 -7.049 2.484 1.00 0.00 O ATOM 561 CB GLU A 35 3.785 -7.876 0.064 1.00 0.00 C ATOM 562 CG GLU A 35 4.097 -7.990 -1.420 1.00 0.00 C ATOM 563 CD GLU A 35 2.847 -8.047 -2.276 1.00 0.00 C ATOM 564 OE1 GLU A 35 1.849 -8.652 -1.829 1.00 0.00 O ATOM 565 OE2 GLU A 35 2.865 -7.487 -3.391 1.00 0.00 O1- ATOM 0 H GLU A 35 4.265 -5.566 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 35 1.887 -6.883 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.719 -7.768 0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.321 -8.803 0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.704 -7.138 -1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.693 -8.886 -1.594 1.00 0.00 H new ATOM 572 N GLU A 36 3.681 -5.966 2.563 1.00 0.00 N ATOM 573 CA GLU A 36 3.648 -5.773 4.008 1.00 0.00 C ATOM 574 C GLU A 36 2.401 -4.995 4.409 1.00 0.00 C ATOM 575 O GLU A 36 1.799 -5.260 5.447 1.00 0.00 O ATOM 576 CB GLU A 36 4.902 -5.029 4.473 1.00 0.00 C ATOM 577 CG GLU A 36 5.159 -5.144 5.966 1.00 0.00 C ATOM 578 CD GLU A 36 5.621 -3.837 6.580 1.00 0.00 C ATOM 579 OE1 GLU A 36 4.769 -2.949 6.794 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 6.833 -3.702 6.847 1.00 0.00 O ATOM 0 H GLU A 36 4.509 -5.584 2.106 1.00 0.00 H new ATOM 0 HA GLU A 36 3.621 -6.751 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.766 -5.417 3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.808 -3.976 4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.247 -5.473 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.913 -5.911 6.143 1.00 0.00 H new ATOM 587 N LEU A 37 2.031 -4.028 3.576 1.00 0.00 N ATOM 588 CA LEU A 37 0.865 -3.191 3.821 1.00 0.00 C ATOM 589 C LEU A 37 -0.409 -4.022 3.935 1.00 0.00 C ATOM 590 O LEU A 37 -1.222 -3.799 4.827 1.00 0.00 O ATOM 591 CB LEU A 37 0.725 -2.185 2.678 1.00 0.00 C ATOM 592 CG LEU A 37 0.825 -0.715 3.073 1.00 0.00 C ATOM 593 CD1 LEU A 37 -0.513 -0.203 3.585 1.00 0.00 C ATOM 594 CD2 LEU A 37 1.913 -0.503 4.114 1.00 0.00 C ATOM 0 H LEU A 37 2.530 -3.804 2.715 1.00 0.00 H new ATOM 0 HA LEU A 37 1.007 -2.671 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.496 -2.396 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.237 -2.347 2.192 1.00 0.00 H new ATOM 0 HG LEU A 37 1.093 -0.146 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.419 0.847 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.266 -0.307 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.814 -0.782 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.963 0.553 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.684 -1.089 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.873 -0.821 3.707 1.00 0.00 H new ATOM 606 N LYS A 38 -0.580 -4.968 3.021 1.00 0.00 N ATOM 607 CA LYS A 38 -1.763 -5.826 3.014 1.00 0.00 C ATOM 608 C LYS A 38 -1.950 -6.527 4.359 1.00 0.00 C ATOM 609 O LYS A 38 -3.048 -6.547 4.912 1.00 0.00 O ATOM 610 CB LYS A 38 -1.656 -6.867 1.898 1.00 0.00 C ATOM 611 CG LYS A 38 -2.047 -6.333 0.530 1.00 0.00 C ATOM 612 CD LYS A 38 -3.228 -7.094 -0.054 1.00 0.00 C ATOM 613 CE LYS A 38 -4.542 -6.636 0.556 1.00 0.00 C ATOM 614 NZ LYS A 38 -4.812 -7.297 1.863 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.085 -5.163 2.273 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.632 -5.192 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.632 -7.238 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.293 -7.717 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.299 -5.276 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.196 -6.407 -0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.257 -6.950 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.097 -8.162 0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.520 -5.555 0.694 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.357 -6.852 -0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.818 -7.554 1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.230 -8.155 1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.576 -6.644 2.637 1.00 0.00 H new ATOM 628 N LYS A 39 -0.870 -7.103 4.874 1.00 0.00 N ATOM 629 CA LYS A 39 -0.900 -7.812 6.150 1.00 0.00 C ATOM 630 C LYS A 39 -1.395 -6.913 7.280 1.00 0.00 C ATOM 631 O LYS A 39 -2.100 -7.367 8.179 1.00 0.00 O ATOM 632 CB LYS A 39 0.491 -8.349 6.488 1.00 0.00 C ATOM 633 CG LYS A 39 0.920 -9.520 5.616 1.00 0.00 C ATOM 634 CD LYS A 39 2.148 -9.182 4.787 1.00 0.00 C ATOM 635 CE LYS A 39 3.429 -9.595 5.493 1.00 0.00 C ATOM 636 NZ LYS A 39 3.670 -11.061 5.395 1.00 0.00 N1+ ATOM 0 H LYS A 39 0.045 -7.093 4.424 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.597 -8.644 6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.218 -7.543 6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.508 -8.659 7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.132 -10.384 6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.100 -9.801 4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.086 -9.684 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.170 -8.110 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.272 -9.059 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.375 -9.306 6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.318 -11.358 6.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.768 -11.568 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.093 -11.282 4.471 1.00 0.00 H new ATOM 650 N LYS A 40 -1.004 -5.645 7.236 1.00 0.00 N ATOM 651 CA LYS A 40 -1.386 -4.677 8.260 1.00 0.00 C ATOM 652 C LYS A 40 -2.901 -4.526 8.352 1.00 0.00 C ATOM 653 O LYS A 40 -3.474 -4.528 9.442 1.00 0.00 O ATOM 654 CB LYS A 40 -0.745 -3.325 7.943 1.00 0.00 C ATOM 655 CG LYS A 40 0.259 -2.869 8.982 1.00 0.00 C ATOM 656 CD LYS A 40 -0.422 -2.193 10.161 1.00 0.00 C ATOM 657 CE LYS A 40 0.145 -2.678 11.487 1.00 0.00 C ATOM 658 NZ LYS A 40 -0.206 -1.765 12.608 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.417 -5.260 6.496 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.031 -5.041 9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.250 -3.386 6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.529 -2.573 7.853 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.832 -3.726 9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.967 -2.178 8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.297 -1.113 10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.493 -2.393 10.127 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.235 -3.677 11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.229 -2.759 11.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.199 -2.131 13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.178 -0.817 12.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.240 -1.708 12.698 1.00 0.00 H new ATOM 672 N ILE A 41 -3.541 -4.397 7.200 1.00 0.00 N ATOM 673 CA ILE A 41 -4.990 -4.246 7.133 1.00 0.00 C ATOM 674 C ILE A 41 -5.675 -5.445 7.772 1.00 0.00 C ATOM 675 O ILE A 41 -6.720 -5.319 8.406 1.00 0.00 O ATOM 676 CB ILE A 41 -5.473 -4.097 5.675 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.747 -2.937 4.990 1.00 0.00 C ATOM 678 CG2 ILE A 41 -6.982 -3.886 5.628 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.775 -3.015 3.479 1.00 0.00 C ATOM 0 H ILE A 41 -3.077 -4.394 6.291 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.253 -3.340 7.679 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.240 -5.017 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.201 -1.998 5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.710 -2.919 5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.303 -3.783 4.591 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.483 -4.742 6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.240 -2.982 6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.242 -2.161 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.295 -3.938 3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.809 -3.002 3.133 1.00 0.00 H new ATOM 691 N GLU A 42 -5.062 -6.607 7.606 1.00 0.00 N ATOM 692 CA GLU A 42 -5.583 -7.839 8.171 1.00 0.00 C ATOM 693 C GLU A 42 -5.591 -7.757 9.693 1.00 0.00 C ATOM 694 O GLU A 42 -6.458 -8.327 10.355 1.00 0.00 O ATOM 695 CB GLU A 42 -4.741 -9.031 7.707 1.00 0.00 C ATOM 696 CG GLU A 42 -5.515 -10.030 6.862 1.00 0.00 C ATOM 697 CD GLU A 42 -5.867 -11.290 7.627 1.00 0.00 C ATOM 698 OE1 GLU A 42 -6.256 -11.180 8.809 1.00 0.00 O ATOM 699 OE2 GLU A 42 -5.754 -12.390 7.044 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.196 -6.721 7.080 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.607 -7.979 7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.891 -8.663 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.338 -9.542 8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.430 -9.562 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.923 -10.295 5.986 1.00 0.00 H new ATOM 706 N GLU A 43 -4.604 -7.053 10.239 1.00 0.00 N ATOM 707 CA GLU A 43 -4.476 -6.902 11.686 1.00 0.00 C ATOM 708 C GLU A 43 -5.523 -5.941 12.248 1.00 0.00 C ATOM 709 O GLU A 43 -6.196 -6.253 13.230 1.00 0.00 O ATOM 710 CB GLU A 43 -3.074 -6.408 12.044 1.00 0.00 C ATOM 711 CG GLU A 43 -1.999 -7.473 11.902 1.00 0.00 C ATOM 712 CD GLU A 43 -1.843 -8.314 13.154 1.00 0.00 C ATOM 713 OE1 GLU A 43 -2.638 -9.259 13.338 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -0.925 -8.027 13.952 1.00 0.00 O ATOM 0 H GLU A 43 -3.880 -6.577 9.701 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.642 -7.881 12.135 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.822 -5.562 11.405 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.078 -6.042 13.071 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.244 -8.122 11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.048 -6.995 11.669 1.00 0.00 H new ATOM 721 N LEU A 44 -5.650 -4.771 11.631 1.00 0.00 N ATOM 722 CA LEU A 44 -6.611 -3.771 12.088 1.00 0.00 C ATOM 723 C LEU A 44 -8.029 -4.336 12.101 1.00 0.00 C ATOM 724 O LEU A 44 -8.418 -5.087 11.206 1.00 0.00 O ATOM 725 CB LEU A 44 -6.544 -2.518 11.206 1.00 0.00 C ATOM 726 CG LEU A 44 -7.351 -2.580 9.906 1.00 0.00 C ATOM 727 CD1 LEU A 44 -8.781 -2.120 10.140 1.00 0.00 C ATOM 728 CD2 LEU A 44 -6.690 -1.734 8.828 1.00 0.00 C ATOM 0 H LEU A 44 -5.103 -4.492 10.817 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.347 -3.495 13.109 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.893 -1.666 11.789 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.500 -2.327 10.956 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.375 -3.616 9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.338 -2.172 9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.254 -2.766 10.880 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.778 -1.093 10.504 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.277 -1.790 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.635 -0.698 9.161 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.684 -2.108 8.638 1.00 0.00 H new ATOM 740 N GLY A 45 -8.795 -3.969 13.123 1.00 0.00 N ATOM 741 CA GLY A 45 -10.161 -4.446 13.237 1.00 0.00 C ATOM 742 C GLY A 45 -11.179 -3.367 12.921 1.00 0.00 C ATOM 743 O GLY A 45 -10.943 -2.513 12.067 1.00 0.00 O ATOM 0 H GLY A 45 -8.494 -3.349 13.875 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.306 -5.288 12.560 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.330 -4.816 14.248 1.00 0.00 H new ATOM 747 N GLY A 46 -12.313 -3.405 13.613 1.00 0.00 N ATOM 748 CA GLY A 46 -13.353 -2.418 13.387 1.00 0.00 C ATOM 749 C GLY A 46 -13.153 -1.165 14.216 1.00 0.00 C ATOM 750 O GLY A 46 -13.261 -1.199 15.442 1.00 0.00 O ATOM 0 H GLY A 46 -12.530 -4.101 14.326 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.373 -2.151 12.330 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.323 -2.856 13.624 1.00 0.00 H new ATOM 754 N GLY A 47 -12.863 -0.054 13.545 1.00 0.00 N ATOM 755 CA GLY A 47 -12.654 1.201 14.242 1.00 0.00 C ATOM 756 C GLY A 47 -12.092 2.281 13.337 1.00 0.00 C ATOM 757 O GLY A 47 -12.174 2.178 12.113 1.00 0.00 O ATOM 0 H GLY A 47 -12.769 -0.001 12.531 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.600 1.541 14.664 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.972 1.040 15.077 1.00 0.00 H new ATOM 761 N GLY A 48 -11.520 3.318 13.941 1.00 0.00 N ATOM 762 CA GLY A 48 -10.951 4.405 13.165 1.00 0.00 C ATOM 763 C GLY A 48 -9.494 4.172 12.809 1.00 0.00 C ATOM 764 O GLY A 48 -8.804 5.092 12.367 1.00 0.00 O ATOM 0 H GLY A 48 -11.440 3.425 14.952 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.528 4.533 12.249 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.039 5.333 13.729 1.00 0.00 H new ATOM 768 N GLU A 49 -9.022 2.943 12.999 1.00 0.00 N ATOM 769 CA GLU A 49 -7.639 2.600 12.691 1.00 0.00 C ATOM 770 C GLU A 49 -7.438 2.440 11.186 1.00 0.00 C ATOM 771 O GLU A 49 -6.329 2.599 10.677 1.00 0.00 O ATOM 772 CB GLU A 49 -7.240 1.310 13.410 1.00 0.00 C ATOM 773 CG GLU A 49 -5.804 0.885 13.149 1.00 0.00 C ATOM 774 CD GLU A 49 -4.968 0.837 14.415 1.00 0.00 C ATOM 775 OE1 GLU A 49 -5.292 1.576 15.368 1.00 0.00 O ATOM 776 OE2 GLU A 49 -3.991 0.060 14.451 1.00 0.00 O1- ATOM 0 H GLU A 49 -9.577 2.169 13.365 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.003 3.414 13.039 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.381 1.444 14.483 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.909 0.508 13.098 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.800 -0.098 12.679 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.347 1.578 12.443 1.00 0.00 H new ATOM 783 N VAL A 50 -8.519 2.122 10.478 1.00 0.00 N ATOM 784 CA VAL A 50 -8.463 1.939 9.032 1.00 0.00 C ATOM 785 C VAL A 50 -7.867 3.161 8.341 1.00 0.00 C ATOM 786 O VAL A 50 -7.243 3.046 7.287 1.00 0.00 O ATOM 787 CB VAL A 50 -9.861 1.660 8.448 1.00 0.00 C ATOM 788 CG1 VAL A 50 -10.427 0.365 9.009 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.800 2.824 8.727 1.00 0.00 C ATOM 0 H VAL A 50 -9.445 1.986 10.884 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.821 1.077 8.848 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.766 1.550 7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.415 0.186 8.584 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.766 -0.463 8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.507 0.442 10.093 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.782 2.608 8.307 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.890 2.969 9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.402 3.730 8.271 1.00 0.00 H new ATOM 799 N LYS A 51 -8.068 4.331 8.938 1.00 0.00 N ATOM 800 CA LYS A 51 -7.551 5.575 8.377 1.00 0.00 C ATOM 801 C LYS A 51 -6.028 5.618 8.454 1.00 0.00 C ATOM 802 O LYS A 51 -5.367 6.179 7.579 1.00 0.00 O ATOM 803 CB LYS A 51 -8.148 6.777 9.112 1.00 0.00 C ATOM 804 CG LYS A 51 -9.326 7.410 8.390 1.00 0.00 C ATOM 805 CD LYS A 51 -10.418 6.391 8.104 1.00 0.00 C ATOM 806 CE LYS A 51 -11.488 6.963 7.189 1.00 0.00 C ATOM 807 NZ LYS A 51 -12.689 7.409 7.948 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.585 4.444 9.810 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.842 5.619 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.468 6.462 10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.371 7.529 9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.732 8.220 8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.985 7.852 7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.979 5.506 7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.873 6.071 9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.077 7.805 6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.780 6.210 6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.395 7.793 7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.097 6.600 8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.416 8.146 8.629 1.00 0.00 H new ATOM 821 N LYS A 52 -5.475 5.024 9.507 1.00 0.00 N ATOM 822 CA LYS A 52 -4.030 4.996 9.699 1.00 0.00 C ATOM 823 C LYS A 52 -3.348 4.202 8.589 1.00 0.00 C ATOM 824 O LYS A 52 -2.263 4.560 8.132 1.00 0.00 O ATOM 825 CB LYS A 52 -3.688 4.392 11.063 1.00 0.00 C ATOM 826 CG LYS A 52 -2.654 5.190 11.840 1.00 0.00 C ATOM 827 CD LYS A 52 -2.928 5.154 13.336 1.00 0.00 C ATOM 828 CE LYS A 52 -1.759 4.557 14.104 1.00 0.00 C ATOM 829 NZ LYS A 52 -2.213 3.754 15.273 1.00 0.00 N1+ ATOM 0 H LYS A 52 -6.007 4.555 10.241 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.663 6.022 9.662 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.599 4.318 11.657 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.318 3.377 10.919 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.660 4.789 11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.656 6.224 11.494 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.122 6.164 13.695 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.827 4.569 13.528 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.171 3.926 13.437 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.103 5.357 14.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.386 3.365 15.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.753 4.361 15.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.818 2.974 14.945 1.00 0.00 H new ATOM 843 N VAL A 53 -3.993 3.122 8.161 1.00 0.00 N ATOM 844 CA VAL A 53 -3.455 2.274 7.104 1.00 0.00 C ATOM 845 C VAL A 53 -3.426 3.008 5.769 1.00 0.00 C ATOM 846 O VAL A 53 -2.485 2.858 4.998 1.00 0.00 O ATOM 847 CB VAL A 53 -4.274 0.976 6.955 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.695 0.093 5.858 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.328 0.228 8.279 1.00 0.00 C ATOM 0 H VAL A 53 -4.892 2.813 8.531 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.435 2.018 7.391 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.291 1.243 6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.289 -0.817 5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.714 0.631 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.666 -0.168 6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.910 -0.686 8.157 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.316 -0.025 8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.797 0.859 9.034 1.00 0.00 H new ATOM 859 N GLU A 54 -4.461 3.800 5.501 1.00 0.00 N ATOM 860 CA GLU A 54 -4.540 4.553 4.252 1.00 0.00 C ATOM 861 C GLU A 54 -3.333 5.474 4.096 1.00 0.00 C ATOM 862 O GLU A 54 -2.840 5.688 2.990 1.00 0.00 O ATOM 863 CB GLU A 54 -5.832 5.372 4.205 1.00 0.00 C ATOM 864 CG GLU A 54 -7.058 4.552 3.841 1.00 0.00 C ATOM 865 CD GLU A 54 -8.313 5.397 3.732 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.215 6.547 3.254 1.00 0.00 O1- ATOM 867 OE2 GLU A 54 -9.394 4.909 4.124 1.00 0.00 O ATOM 0 H GLU A 54 -5.253 3.937 6.129 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.541 3.841 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.992 5.838 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.716 6.178 3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.883 4.044 2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.210 3.778 4.593 1.00 0.00 H new ATOM 874 N GLU A 55 -2.863 6.012 5.214 1.00 0.00 N ATOM 875 CA GLU A 55 -1.709 6.905 5.216 1.00 0.00 C ATOM 876 C GLU A 55 -0.426 6.140 4.901 1.00 0.00 C ATOM 877 O GLU A 55 0.477 6.657 4.246 1.00 0.00 O ATOM 878 CB GLU A 55 -1.581 7.603 6.571 1.00 0.00 C ATOM 879 CG GLU A 55 -2.706 8.585 6.859 1.00 0.00 C ATOM 880 CD GLU A 55 -2.500 9.345 8.155 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.552 10.155 8.223 1.00 0.00 O ATOM 882 OE2 GLU A 55 -3.288 9.131 9.100 1.00 0.00 O1- ATOM 0 H GLU A 55 -3.265 5.845 6.136 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.861 7.656 4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.558 6.849 7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.629 8.133 6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.784 9.294 6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.652 8.045 6.905 1.00 0.00 H new ATOM 889 N GLU A 56 -0.351 4.911 5.396 1.00 0.00 N ATOM 890 CA GLU A 56 0.820 4.063 5.201 1.00 0.00 C ATOM 891 C GLU A 56 1.119 3.826 3.719 1.00 0.00 C ATOM 892 O GLU A 56 2.273 3.875 3.294 1.00 0.00 O ATOM 893 CB GLU A 56 0.596 2.723 5.905 1.00 0.00 C ATOM 894 CG GLU A 56 1.208 2.655 7.292 1.00 0.00 C ATOM 895 CD GLU A 56 2.636 2.146 7.276 1.00 0.00 C ATOM 896 OE1 GLU A 56 2.928 1.219 6.493 1.00 0.00 O ATOM 897 OE2 GLU A 56 3.464 2.678 8.046 1.00 0.00 O1- ATOM 0 H GLU A 56 -1.095 4.475 5.941 1.00 0.00 H new ATOM 0 HA GLU A 56 1.681 4.576 5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.475 2.536 5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.016 1.926 5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.185 3.647 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.601 2.004 7.921 1.00 0.00 H new ATOM 904 N VAL A 57 0.077 3.557 2.940 1.00 0.00 N ATOM 905 CA VAL A 57 0.228 3.298 1.513 1.00 0.00 C ATOM 906 C VAL A 57 0.571 4.568 0.733 1.00 0.00 C ATOM 907 O VAL A 57 1.317 4.522 -0.244 1.00 0.00 O ATOM 908 CB VAL A 57 -1.039 2.642 0.918 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.088 3.685 0.554 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.676 1.795 -0.291 1.00 0.00 C ATOM 0 H VAL A 57 -0.885 3.513 3.275 1.00 0.00 H new ATOM 0 HA VAL A 57 1.061 2.602 1.413 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.473 1.994 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.965 3.189 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.374 4.240 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.676 4.373 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.578 1.339 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.212 2.424 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.022 1.013 0.009 1.00 0.00 H new ATOM 920 N LYS A 58 0.010 5.696 1.160 1.00 0.00 N ATOM 921 CA LYS A 58 0.244 6.973 0.491 1.00 0.00 C ATOM 922 C LYS A 58 1.739 7.275 0.377 1.00 0.00 C ATOM 923 O LYS A 58 2.181 7.900 -0.582 1.00 0.00 O ATOM 924 CB LYS A 58 -0.486 8.109 1.225 1.00 0.00 C ATOM 925 CG LYS A 58 0.268 8.672 2.423 1.00 0.00 C ATOM 926 CD LYS A 58 0.807 10.069 2.143 1.00 0.00 C ATOM 927 CE LYS A 58 0.399 11.052 3.228 1.00 0.00 C ATOM 928 NZ LYS A 58 1.435 12.099 3.447 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.611 5.752 1.967 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.158 6.900 -0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.677 8.917 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.456 7.743 1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.395 8.704 3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.094 8.008 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.894 10.033 2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.437 10.416 1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.543 11.526 2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.225 10.513 4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.119 12.749 4.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.328 11.649 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.583 12.631 2.565 1.00 0.00 H new ATOM 942 N LYS A 59 2.507 6.840 1.366 1.00 0.00 N ATOM 943 CA LYS A 59 3.947 7.070 1.372 1.00 0.00 C ATOM 944 C LYS A 59 4.644 6.275 0.266 1.00 0.00 C ATOM 945 O LYS A 59 5.602 6.750 -0.344 1.00 0.00 O ATOM 946 CB LYS A 59 4.538 6.690 2.731 1.00 0.00 C ATOM 947 CG LYS A 59 3.809 7.319 3.906 1.00 0.00 C ATOM 948 CD LYS A 59 4.221 6.682 5.224 1.00 0.00 C ATOM 949 CE LYS A 59 3.610 7.411 6.409 1.00 0.00 C ATOM 950 NZ LYS A 59 4.484 8.516 6.891 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.158 6.326 2.175 1.00 0.00 H new ATOM 0 HA LYS A 59 4.114 8.131 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.515 5.605 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.585 6.991 2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.020 8.388 3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.733 7.210 3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.909 5.638 5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.308 6.692 5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.638 7.814 6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.437 6.704 7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.032 8.988 7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.403 8.128 7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.628 9.204 6.125 1.00 0.00 H new ATOM 964 N LEU A 60 4.170 5.054 0.029 1.00 0.00 N ATOM 965 CA LEU A 60 4.760 4.179 -0.985 1.00 0.00 C ATOM 966 C LEU A 60 4.670 4.773 -2.390 1.00 0.00 C ATOM 967 O LEU A 60 5.644 4.744 -3.143 1.00 0.00 O ATOM 968 CB LEU A 60 4.073 2.811 -0.960 1.00 0.00 C ATOM 969 CG LEU A 60 4.906 1.653 -1.513 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.294 1.915 -2.960 1.00 0.00 C ATOM 971 CD2 LEU A 60 6.143 1.430 -0.658 1.00 0.00 C ATOM 0 H LEU A 60 3.378 4.646 0.526 1.00 0.00 H new ATOM 0 HA LEU A 60 5.817 4.071 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.797 2.580 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.147 2.877 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 60 4.299 0.748 -1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.886 1.080 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.393 2.022 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.881 2.831 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.723 0.603 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.752 2.334 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.842 1.193 0.363 1.00 0.00 H new ATOM 983 N GLU A 61 3.507 5.305 -2.747 1.00 0.00 N ATOM 984 CA GLU A 61 3.320 5.892 -4.071 1.00 0.00 C ATOM 985 C GLU A 61 4.174 7.144 -4.232 1.00 0.00 C ATOM 986 O GLU A 61 4.665 7.434 -5.321 1.00 0.00 O ATOM 987 CB GLU A 61 1.844 6.220 -4.321 1.00 0.00 C ATOM 988 CG GLU A 61 1.191 7.005 -3.198 1.00 0.00 C ATOM 989 CD GLU A 61 0.918 8.447 -3.575 1.00 0.00 C ATOM 990 OE1 GLU A 61 0.416 8.684 -4.695 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 1.206 9.341 -2.752 1.00 0.00 O ATOM 0 H GLU A 61 2.685 5.343 -2.145 1.00 0.00 H new ATOM 0 HA GLU A 61 3.639 5.157 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.760 6.790 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.295 5.290 -4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.254 6.523 -2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.836 6.979 -2.319 1.00 0.00 H new ATOM 998 N GLU A 62 4.352 7.878 -3.139 1.00 0.00 N ATOM 999 CA GLU A 62 5.155 9.097 -3.154 1.00 0.00 C ATOM 1000 C GLU A 62 6.542 8.815 -3.716 1.00 0.00 C ATOM 1001 O GLU A 62 7.056 9.570 -4.542 1.00 0.00 O ATOM 1002 CB GLU A 62 5.270 9.676 -1.744 1.00 0.00 C ATOM 1003 CG GLU A 62 3.942 10.130 -1.161 1.00 0.00 C ATOM 1004 CD GLU A 62 3.960 11.582 -0.724 1.00 0.00 C ATOM 1005 OE1 GLU A 62 4.236 12.454 -1.574 1.00 0.00 O ATOM 1006 OE2 GLU A 62 3.698 11.846 0.469 1.00 0.00 O1- ATOM 0 H GLU A 62 3.951 7.650 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 62 4.659 9.826 -3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.708 8.925 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.957 10.522 -1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.157 9.988 -1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.691 9.501 -0.307 1.00 0.00 H new ATOM 1013 N GLU A 63 7.138 7.715 -3.270 1.00 0.00 N ATOM 1014 CA GLU A 63 8.461 7.322 -3.734 1.00 0.00 C ATOM 1015 C GLU A 63 8.438 7.058 -5.235 1.00 0.00 C ATOM 1016 O GLU A 63 9.419 7.303 -5.935 1.00 0.00 O ATOM 1017 CB GLU A 63 8.941 6.072 -2.991 1.00 0.00 C ATOM 1018 CG GLU A 63 8.742 6.143 -1.485 1.00 0.00 C ATOM 1019 CD GLU A 63 9.346 7.395 -0.876 1.00 0.00 C ATOM 1020 OE1 GLU A 63 8.733 8.474 -1.010 1.00 0.00 O ATOM 1021 OE2 GLU A 63 10.430 7.293 -0.264 1.00 0.00 O1- ATOM 0 H GLU A 63 6.725 7.080 -2.587 1.00 0.00 H new ATOM 0 HA GLU A 63 9.153 8.138 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.409 5.203 -3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.999 5.918 -3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.676 6.112 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.191 5.265 -1.021 1.00 0.00 H new ATOM 1028 N ILE A 64 7.305 6.559 -5.720 1.00 0.00 N ATOM 1029 CA ILE A 64 7.147 6.263 -7.141 1.00 0.00 C ATOM 1030 C ILE A 64 7.315 7.523 -7.985 1.00 0.00 C ATOM 1031 O ILE A 64 7.830 7.470 -9.102 1.00 0.00 O ATOM 1032 CB ILE A 64 5.771 5.634 -7.439 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.528 4.425 -6.534 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.676 5.230 -8.904 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.195 3.747 -6.771 1.00 0.00 C ATOM 0 H ILE A 64 6.484 6.351 -5.152 1.00 0.00 H new ATOM 0 HA ILE A 64 7.925 5.546 -7.403 1.00 0.00 H new ATOM 0 HB ILE A 64 5.001 6.378 -7.236 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.327 3.700 -6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.584 4.744 -5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.699 4.788 -9.097 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.807 6.110 -9.533 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.455 4.502 -9.132 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.093 2.899 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.388 4.457 -6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.143 3.396 -7.802 1.00 0.00 H new ATOM 1047 N LYS A 65 6.876 8.657 -7.447 1.00 0.00 N ATOM 1048 CA LYS A 65 6.982 9.927 -8.155 1.00 0.00 C ATOM 1049 C LYS A 65 8.435 10.381 -8.237 1.00 0.00 C ATOM 1050 O LYS A 65 8.841 11.031 -9.202 1.00 0.00 O ATOM 1051 CB LYS A 65 6.140 10.996 -7.457 1.00 0.00 C ATOM 1052 CG LYS A 65 4.645 10.742 -7.542 1.00 0.00 C ATOM 1053 CD LYS A 65 4.094 10.199 -6.233 1.00 0.00 C ATOM 1054 CE LYS A 65 2.861 9.340 -6.463 1.00 0.00 C ATOM 1055 NZ LYS A 65 3.160 8.144 -7.300 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.444 8.722 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 65 6.606 9.784 -9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.432 11.050 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.361 11.967 -7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.132 11.669 -7.797 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.441 10.034 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.861 9.610 -5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.843 11.028 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.459 9.018 -5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.089 9.937 -6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.296 7.840 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.891 8.384 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.502 7.372 -6.693 1.00 0.00 H new ATOM 1069 N LYS A 66 9.216 10.034 -7.219 1.00 0.00 N ATOM 1070 CA LYS A 66 10.625 10.405 -7.174 1.00 0.00 C ATOM 1071 C LYS A 66 11.423 9.646 -8.230 1.00 0.00 C ATOM 1072 O LYS A 66 12.455 10.122 -8.703 1.00 0.00 O ATOM 1073 CB LYS A 66 11.204 10.125 -5.785 1.00 0.00 C ATOM 1074 CG LYS A 66 10.651 11.036 -4.701 1.00 0.00 C ATOM 1075 CD LYS A 66 11.676 12.069 -4.261 1.00 0.00 C ATOM 1076 CE LYS A 66 11.464 13.399 -4.964 1.00 0.00 C ATOM 1077 NZ LYS A 66 11.905 14.548 -4.126 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.896 9.496 -6.414 1.00 0.00 H new ATOM 0 HA LYS A 66 10.700 11.472 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.999 9.089 -5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.288 10.236 -5.823 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.759 11.542 -5.070 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.345 10.437 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.610 12.212 -3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.680 11.700 -4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.014 13.404 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.409 13.514 -5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.743 15.436 -4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.362 14.559 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.918 14.452 -3.911 1.00 0.00 H new ATOM 1091 N LEU A 67 10.940 8.462 -8.597 1.00 0.00 N ATOM 1092 CA LEU A 67 11.612 7.639 -9.596 1.00 0.00 C ATOM 1093 C LEU A 67 10.935 7.776 -10.958 1.00 0.00 C ATOM 1094 O LEU A 67 9.690 7.871 -10.993 1.00 0.00 O ATOM 1095 CB LEU A 67 11.629 6.172 -9.151 1.00 0.00 C ATOM 1096 CG LEU A 67 10.343 5.384 -9.414 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.310 4.869 -10.847 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.213 4.233 -8.427 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.656 7.788 -11.977 1.00 0.00 O ATOM 0 H LEU A 67 10.087 8.052 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 67 12.640 7.988 -9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.452 5.668 -9.657 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.842 6.138 -8.083 1.00 0.00 H new ATOM 0 HG LEU A 67 9.495 6.055 -9.275 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.388 4.312 -11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.354 5.711 -11.537 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.165 4.215 -11.018 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.293 3.683 -8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.067 3.564 -8.534 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.186 4.626 -7.411 1.00 0.00 H new TER 1111 LEU A 67