USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 581 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+ -123:sc= -1.06 (180deg=-4.08!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0425 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+ 160:sc= 0 (180deg=-0.00939) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 138:sc= 0.165 (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+ 151:sc= -0.0417 (180deg=-0.405) USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= -1.21 (180deg=-1.58) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.582 -10.758 -8.413 1.00 0.00 N ATOM 2 CA GLY A 1 -6.384 -11.947 -8.641 1.00 0.00 C ATOM 3 C GLY A 1 -7.432 -12.121 -7.540 1.00 0.00 C ATOM 4 O GLY A 1 -8.548 -12.567 -7.805 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.646 -10.132 -9.241 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.934 -10.258 -7.572 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.590 -11.032 -8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.878 -11.877 -9.610 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.738 -12.824 -8.675 1.00 0.00 H new ATOM 8 N SER A 2 -7.037 -11.761 -6.328 1.00 0.00 N ATOM 9 CA SER A 2 -7.928 -11.872 -5.186 1.00 0.00 C ATOM 10 C SER A 2 -7.561 -10.825 -4.132 1.00 0.00 C ATOM 11 O SER A 2 -8.348 -9.924 -3.848 1.00 0.00 O ATOM 12 CB SER A 2 -7.875 -13.276 -4.580 1.00 0.00 C ATOM 13 OG SER A 2 -6.536 -13.709 -4.354 1.00 0.00 O ATOM 0 H SER A 2 -6.111 -11.392 -6.112 1.00 0.00 H new ATOM 0 HA SER A 2 -8.947 -11.692 -5.529 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.423 -13.285 -3.638 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.376 -13.978 -5.247 1.00 0.00 H new ATOM 0 HG SER A 2 -6.544 -14.608 -3.965 1.00 0.00 H new ATOM 19 N ARG A 3 -6.366 -10.979 -3.582 1.00 0.00 N ATOM 20 CA ARG A 3 -5.885 -10.058 -2.566 1.00 0.00 C ATOM 21 C ARG A 3 -5.180 -8.868 -3.220 1.00 0.00 C ATOM 22 O ARG A 3 -5.497 -7.716 -2.925 1.00 0.00 O ATOM 23 CB ARG A 3 -4.916 -10.753 -1.608 1.00 0.00 C ATOM 24 CG ARG A 3 -5.593 -11.060 -0.270 1.00 0.00 C ATOM 25 CD ARG A 3 -6.175 -12.475 -0.263 1.00 0.00 C ATOM 26 NE ARG A 3 -7.470 -12.493 -0.979 1.00 0.00 N ATOM 27 CZ ARG A 3 -8.380 -13.469 -0.861 1.00 0.00 C ATOM 28 NH1 ARG A 3 -8.143 -14.512 -0.053 1.00 0.00 N ATOM 29 NH2 ARG A 3 -9.527 -13.402 -1.549 1.00 0.00 N ATOM 0 H ARG A 3 -5.716 -11.728 -3.821 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.748 -9.707 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.555 -11.678 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.045 -10.119 -1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.871 -10.956 0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.386 -10.336 -0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.478 -13.166 -0.737 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.313 -12.815 0.763 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.683 -11.713 -1.601 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.270 -14.562 0.472 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.836 -15.255 0.037 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.708 -12.608 -2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.220 -14.145 -1.459 1.00 0.00 H new ATOM 43 N VAL A 4 -4.237 -9.187 -4.094 1.00 0.00 N ATOM 44 CA VAL A 4 -3.485 -8.158 -4.792 1.00 0.00 C ATOM 45 C VAL A 4 -4.456 -7.223 -5.515 1.00 0.00 C ATOM 46 O VAL A 4 -4.335 -6.002 -5.420 1.00 0.00 O ATOM 47 CB VAL A 4 -2.465 -8.802 -5.732 1.00 0.00 C ATOM 48 CG1 VAL A 4 -1.717 -7.740 -6.542 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.488 -9.689 -4.957 1.00 0.00 C ATOM 0 H VAL A 4 -3.976 -10.143 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.919 -7.553 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.009 -9.435 -6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.998 -8.225 -7.202 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.429 -7.169 -7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.191 -7.069 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.774 -10.135 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.954 -9.086 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.040 -10.479 -4.447 1.00 0.00 H new ATOM 59 N LYS A 5 -5.399 -7.831 -6.220 1.00 0.00 N ATOM 60 CA LYS A 5 -6.391 -7.068 -6.959 1.00 0.00 C ATOM 61 C LYS A 5 -7.014 -6.021 -6.034 1.00 0.00 C ATOM 62 O LYS A 5 -6.794 -4.823 -6.208 1.00 0.00 O ATOM 63 CB LYS A 5 -7.414 -8.004 -7.606 1.00 0.00 C ATOM 64 CG LYS A 5 -8.479 -7.211 -8.363 1.00 0.00 C ATOM 65 CD LYS A 5 -8.263 -7.306 -9.875 1.00 0.00 C ATOM 66 CE LYS A 5 -9.587 -7.171 -10.629 1.00 0.00 C ATOM 67 NZ LYS A 5 -9.482 -7.776 -11.976 1.00 0.00 N ATOM 0 H LYS A 5 -5.497 -8.843 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.922 -6.529 -7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.908 -8.685 -8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.888 -8.617 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.469 -7.590 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.449 -6.167 -8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.576 -6.524 -10.197 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.797 -8.260 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.384 -7.658 -10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.856 -6.118 -10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.390 -7.675 -12.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.736 -7.293 -12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.247 -8.785 -11.886 1.00 0.00 H new ATOM 81 N ALA A 6 -7.782 -6.511 -5.070 1.00 0.00 N ATOM 82 CA ALA A 6 -8.439 -5.632 -4.118 1.00 0.00 C ATOM 83 C ALA A 6 -7.405 -4.679 -3.512 1.00 0.00 C ATOM 84 O ALA A 6 -7.759 -3.618 -3.000 1.00 0.00 O ATOM 85 CB ALA A 6 -9.152 -6.471 -3.056 1.00 0.00 C ATOM 0 H ALA A 6 -7.963 -7.505 -4.929 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.195 -5.025 -4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.645 -5.811 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.896 -7.108 -3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.424 -7.092 -2.534 1.00 0.00 H new ATOM 91 N LEU A 7 -6.150 -5.094 -3.589 1.00 0.00 N ATOM 92 CA LEU A 7 -5.062 -4.291 -3.055 1.00 0.00 C ATOM 93 C LEU A 7 -4.747 -3.154 -4.028 1.00 0.00 C ATOM 94 O LEU A 7 -4.962 -1.985 -3.713 1.00 0.00 O ATOM 95 CB LEU A 7 -3.856 -5.173 -2.728 1.00 0.00 C ATOM 96 CG LEU A 7 -3.568 -5.392 -1.241 1.00 0.00 C ATOM 97 CD1 LEU A 7 -3.509 -4.059 -0.492 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.586 -6.352 -0.621 1.00 0.00 C ATOM 0 H LEU A 7 -5.861 -5.976 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.356 -3.831 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.005 -6.146 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.972 -4.731 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.587 -5.858 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.303 -4.243 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.717 -3.439 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.464 -3.544 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.359 -6.490 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.588 -5.937 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.537 -7.314 -1.132 1.00 0.00 H new ATOM 110 N GLU A 8 -4.244 -3.537 -5.193 1.00 0.00 N ATOM 111 CA GLU A 8 -3.897 -2.564 -6.214 1.00 0.00 C ATOM 112 C GLU A 8 -4.897 -1.407 -6.208 1.00 0.00 C ATOM 113 O GLU A 8 -4.533 -0.264 -6.479 1.00 0.00 O ATOM 114 CB GLU A 8 -3.826 -3.221 -7.595 1.00 0.00 C ATOM 115 CG GLU A 8 -2.994 -2.376 -8.561 1.00 0.00 C ATOM 116 CD GLU A 8 -3.332 -2.713 -10.015 1.00 0.00 C ATOM 117 OE1 GLU A 8 -3.114 -3.885 -10.391 1.00 0.00 O ATOM 118 OE2 GLU A 8 -3.801 -1.791 -10.717 1.00 0.00 O ATOM 0 H GLU A 8 -4.069 -4.508 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.909 -2.164 -5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.389 -4.216 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.833 -3.350 -7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.180 -1.318 -8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.933 -2.550 -8.381 1.00 0.00 H new ATOM 125 N GLU A 9 -6.140 -1.743 -5.894 1.00 0.00 N ATOM 126 CA GLU A 9 -7.196 -0.747 -5.848 1.00 0.00 C ATOM 127 C GLU A 9 -6.770 0.438 -4.979 1.00 0.00 C ATOM 128 O GLU A 9 -6.716 1.572 -5.452 1.00 0.00 O ATOM 129 CB GLU A 9 -8.504 -1.357 -5.340 1.00 0.00 C ATOM 130 CG GLU A 9 -9.660 -1.052 -6.295 1.00 0.00 C ATOM 131 CD GLU A 9 -10.548 0.065 -5.743 1.00 0.00 C ATOM 132 OE1 GLU A 9 -11.137 -0.160 -4.663 1.00 0.00 O ATOM 133 OE2 GLU A 9 -10.617 1.119 -6.411 1.00 0.00 O ATOM 0 H GLU A 9 -6.439 -2.692 -5.669 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.372 -0.385 -6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.389 -2.436 -5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.732 -0.963 -4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.265 -0.760 -7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.255 -1.952 -6.450 1.00 0.00 H new ATOM 140 N LYS A 10 -6.479 0.135 -3.722 1.00 0.00 N ATOM 141 CA LYS A 10 -6.059 1.161 -2.783 1.00 0.00 C ATOM 142 C LYS A 10 -4.642 1.620 -3.134 1.00 0.00 C ATOM 143 O LYS A 10 -4.407 2.807 -3.355 1.00 0.00 O ATOM 144 CB LYS A 10 -6.205 0.663 -1.345 1.00 0.00 C ATOM 145 CG LYS A 10 -6.570 1.811 -0.401 1.00 0.00 C ATOM 146 CD LYS A 10 -8.002 2.288 -0.647 1.00 0.00 C ATOM 147 CE LYS A 10 -8.773 2.412 0.669 1.00 0.00 C ATOM 148 NZ LYS A 10 -10.123 1.820 0.537 1.00 0.00 N ATOM 0 H LYS A 10 -6.526 -0.806 -3.332 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.706 2.035 -2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.974 -0.108 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.272 0.202 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.464 1.484 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.877 2.640 -0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.986 3.252 -1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.514 1.588 -1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.226 1.910 1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.856 3.462 0.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.632 1.913 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.649 2.317 -0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.038 0.814 0.289 1.00 0.00 H new ATOM 162 N VAL A 11 -3.735 0.654 -3.176 1.00 0.00 N ATOM 163 CA VAL A 11 -2.348 0.944 -3.497 1.00 0.00 C ATOM 164 C VAL A 11 -2.295 1.920 -4.673 1.00 0.00 C ATOM 165 O VAL A 11 -1.722 3.002 -4.562 1.00 0.00 O ATOM 166 CB VAL A 11 -1.590 -0.357 -3.764 1.00 0.00 C ATOM 167 CG1 VAL A 11 -0.127 -0.078 -4.113 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.697 -1.308 -2.570 1.00 0.00 C ATOM 0 H VAL A 11 -3.934 -0.330 -2.993 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.853 1.425 -2.653 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.052 -0.844 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.389 -1.020 -4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.078 0.544 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.352 0.441 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.150 -2.226 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.273 -0.831 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.745 -1.545 -2.387 1.00 0.00 H new ATOM 178 N LYS A 12 -2.899 1.501 -5.776 1.00 0.00 N ATOM 179 CA LYS A 12 -2.927 2.324 -6.974 1.00 0.00 C ATOM 180 C LYS A 12 -3.258 3.767 -6.587 1.00 0.00 C ATOM 181 O LYS A 12 -2.548 4.695 -6.973 1.00 0.00 O ATOM 182 CB LYS A 12 -3.884 1.730 -8.009 1.00 0.00 C ATOM 183 CG LYS A 12 -4.021 2.654 -9.221 1.00 0.00 C ATOM 184 CD LYS A 12 -3.572 1.950 -10.503 1.00 0.00 C ATOM 185 CE LYS A 12 -4.773 1.418 -11.287 1.00 0.00 C ATOM 186 NZ LYS A 12 -4.340 0.881 -12.596 1.00 0.00 N ATOM 0 H LYS A 12 -3.373 0.602 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.947 2.338 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.519 0.755 -8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.862 1.571 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.058 2.975 -9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.423 3.552 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.007 2.645 -11.124 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.902 1.127 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.272 0.637 -10.714 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.500 2.217 -11.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.167 0.524 -13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.884 1.636 -13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.664 0.105 -12.446 1.00 0.00 H new ATOM 200 N ALA A 13 -4.336 3.911 -5.830 1.00 0.00 N ATOM 201 CA ALA A 13 -4.769 5.225 -5.387 1.00 0.00 C ATOM 202 C ALA A 13 -3.654 5.876 -4.567 1.00 0.00 C ATOM 203 O ALA A 13 -3.317 7.039 -4.784 1.00 0.00 O ATOM 204 CB ALA A 13 -6.073 5.094 -4.598 1.00 0.00 C ATOM 0 H ALA A 13 -4.922 3.139 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.969 5.871 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.398 6.080 -4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.841 4.654 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.911 4.454 -3.731 1.00 0.00 H new ATOM 210 N LEU A 14 -3.111 5.097 -3.642 1.00 0.00 N ATOM 211 CA LEU A 14 -2.041 5.583 -2.789 1.00 0.00 C ATOM 212 C LEU A 14 -0.953 6.220 -3.655 1.00 0.00 C ATOM 213 O LEU A 14 -0.317 7.190 -3.245 1.00 0.00 O ATOM 214 CB LEU A 14 -1.528 4.463 -1.882 1.00 0.00 C ATOM 215 CG LEU A 14 -2.471 4.022 -0.761 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.687 3.455 0.424 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.397 5.166 -0.342 1.00 0.00 C ATOM 0 H LEU A 14 -3.393 4.133 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.411 6.360 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.302 3.595 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.589 4.787 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.103 3.220 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.381 3.149 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.106 2.593 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.014 4.219 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.057 4.826 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.800 6.006 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.995 5.482 -1.197 1.00 0.00 H new ATOM 229 N GLU A 15 -0.772 5.649 -4.837 1.00 0.00 N ATOM 230 CA GLU A 15 0.228 6.148 -5.765 1.00 0.00 C ATOM 231 C GLU A 15 -0.166 7.537 -6.274 1.00 0.00 C ATOM 232 O GLU A 15 0.598 8.491 -6.141 1.00 0.00 O ATOM 233 CB GLU A 15 0.432 5.176 -6.927 1.00 0.00 C ATOM 234 CG GLU A 15 1.589 5.625 -7.823 1.00 0.00 C ATOM 235 CD GLU A 15 2.168 4.444 -8.606 1.00 0.00 C ATOM 236 OE1 GLU A 15 1.388 3.504 -8.872 1.00 0.00 O ATOM 237 OE2 GLU A 15 3.375 4.509 -8.919 1.00 0.00 O ATOM 0 H GLU A 15 -1.302 4.845 -5.173 1.00 0.00 H new ATOM 0 HA GLU A 15 1.177 6.232 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.634 4.178 -6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.483 5.110 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.240 6.390 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.370 6.080 -7.214 1.00 0.00 H new ATOM 244 N GLU A 16 -1.359 7.604 -6.846 1.00 0.00 N ATOM 245 CA GLU A 16 -1.865 8.859 -7.376 1.00 0.00 C ATOM 246 C GLU A 16 -2.069 9.869 -6.245 1.00 0.00 C ATOM 247 O GLU A 16 -2.036 11.078 -6.473 1.00 0.00 O ATOM 248 CB GLU A 16 -3.161 8.642 -8.158 1.00 0.00 C ATOM 249 CG GLU A 16 -2.954 8.911 -9.649 1.00 0.00 C ATOM 250 CD GLU A 16 -4.295 8.998 -10.383 1.00 0.00 C ATOM 251 OE1 GLU A 16 -4.919 7.928 -10.552 1.00 0.00 O ATOM 252 OE2 GLU A 16 -4.664 10.131 -10.758 1.00 0.00 O ATOM 0 H GLU A 16 -1.990 6.810 -6.954 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.126 9.262 -8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.509 7.619 -8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.938 9.301 -7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.402 9.842 -9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.348 8.117 -10.085 1.00 0.00 H new ATOM 259 N LYS A 17 -2.275 9.337 -5.049 1.00 0.00 N ATOM 260 CA LYS A 17 -2.485 10.176 -3.883 1.00 0.00 C ATOM 261 C LYS A 17 -1.130 10.616 -3.326 1.00 0.00 C ATOM 262 O LYS A 17 -0.802 11.801 -3.345 1.00 0.00 O ATOM 263 CB LYS A 17 -3.367 9.459 -2.858 1.00 0.00 C ATOM 264 CG LYS A 17 -4.817 9.937 -2.954 1.00 0.00 C ATOM 265 CD LYS A 17 -5.585 9.617 -1.670 1.00 0.00 C ATOM 266 CE LYS A 17 -6.649 8.545 -1.920 1.00 0.00 C ATOM 267 NZ LYS A 17 -7.861 8.819 -1.114 1.00 0.00 N ATOM 0 H LYS A 17 -2.301 8.334 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.027 11.081 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.323 8.383 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.986 9.642 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.838 11.011 -3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.306 9.459 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.891 9.274 -0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.058 10.522 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.907 8.520 -2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.251 7.563 -1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.572 8.082 -1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.613 8.820 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.249 9.748 -1.376 1.00 0.00 H new ATOM 281 N VAL A 18 -0.379 9.637 -2.844 1.00 0.00 N ATOM 282 CA VAL A 18 0.935 9.908 -2.282 1.00 0.00 C ATOM 283 C VAL A 18 1.663 10.923 -3.167 1.00 0.00 C ATOM 284 O VAL A 18 2.403 11.769 -2.668 1.00 0.00 O ATOM 285 CB VAL A 18 1.711 8.602 -2.110 1.00 0.00 C ATOM 286 CG1 VAL A 18 3.176 8.875 -1.766 1.00 0.00 C ATOM 287 CG2 VAL A 18 1.055 7.711 -1.051 1.00 0.00 C ATOM 0 H VAL A 18 -0.654 8.655 -2.831 1.00 0.00 H new ATOM 0 HA VAL A 18 0.842 10.348 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 18 1.685 8.069 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.705 7.929 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.637 9.452 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.232 9.439 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.626 6.788 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.036 8.235 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.035 7.475 -1.355 1.00 0.00 H new ATOM 297 N LYS A 19 1.426 10.806 -4.465 1.00 0.00 N ATOM 298 CA LYS A 19 2.049 11.703 -5.423 1.00 0.00 C ATOM 299 C LYS A 19 1.354 13.065 -5.369 1.00 0.00 C ATOM 300 O LYS A 19 2.014 14.103 -5.349 1.00 0.00 O ATOM 301 CB LYS A 19 2.060 11.072 -6.818 1.00 0.00 C ATOM 302 CG LYS A 19 3.027 11.812 -7.746 1.00 0.00 C ATOM 303 CD LYS A 19 3.883 10.826 -8.544 1.00 0.00 C ATOM 304 CE LYS A 19 5.247 11.433 -8.880 1.00 0.00 C ATOM 305 NZ LYS A 19 6.290 10.384 -8.898 1.00 0.00 N ATOM 0 H LYS A 19 0.811 10.104 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 19 3.095 11.869 -5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.350 10.024 -6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.055 11.096 -7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.465 12.448 -8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.671 12.466 -7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.020 9.910 -7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.366 10.551 -9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.203 11.927 -9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.503 12.196 -8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.209 10.812 -9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.343 9.931 -7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.052 9.670 -9.616 1.00 0.00 H new ATOM 319 N ALA A 20 0.030 13.016 -5.348 1.00 0.00 N ATOM 320 CA ALA A 20 -0.762 14.233 -5.296 1.00 0.00 C ATOM 321 C ALA A 20 -0.327 15.069 -4.091 1.00 0.00 C ATOM 322 O ALA A 20 -0.181 16.286 -4.195 1.00 0.00 O ATOM 323 CB ALA A 20 -2.248 13.873 -5.249 1.00 0.00 C ATOM 0 H ALA A 20 -0.514 12.153 -5.366 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.600 14.835 -6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.842 14.786 -5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.513 13.305 -6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.449 13.271 -4.363 1.00 0.00 H new ATOM 329 N LEU A 21 -0.132 14.383 -2.974 1.00 0.00 N ATOM 330 CA LEU A 21 0.284 15.047 -1.751 1.00 0.00 C ATOM 331 C LEU A 21 1.399 16.044 -2.070 1.00 0.00 C ATOM 332 O LEU A 21 2.417 15.676 -2.657 1.00 0.00 O ATOM 333 CB LEU A 21 0.666 14.018 -0.686 1.00 0.00 C ATOM 334 CG LEU A 21 -0.209 12.765 -0.620 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.056 11.977 0.664 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.689 13.119 -0.779 1.00 0.00 C ATOM 0 H LEU A 21 -0.255 13.374 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.543 15.618 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.696 13.709 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.641 14.506 0.288 1.00 0.00 H new ATOM 0 HG LEU A 21 0.059 12.119 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.579 11.091 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.102 11.674 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.166 12.604 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.288 12.210 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.989 13.796 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.846 13.603 -1.743 1.00 0.00 H new ATOM 348 N GLY A 22 1.172 17.287 -1.671 1.00 0.00 N ATOM 349 CA GLY A 22 2.145 18.339 -1.908 1.00 0.00 C ATOM 350 C GLY A 22 3.568 17.840 -1.644 1.00 0.00 C ATOM 351 O GLY A 22 4.519 18.310 -2.266 1.00 0.00 O ATOM 0 H GLY A 22 0.328 17.589 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.064 18.689 -2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.929 19.191 -1.263 1.00 0.00 H new ATOM 355 N GLY A 23 3.667 16.896 -0.720 1.00 0.00 N ATOM 356 CA GLY A 23 4.957 16.329 -0.366 1.00 0.00 C ATOM 357 C GLY A 23 5.933 17.420 0.078 1.00 0.00 C ATOM 358 O GLY A 23 5.539 18.570 0.268 1.00 0.00 O ATOM 0 H GLY A 23 2.875 16.510 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.831 15.601 0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.370 15.793 -1.221 1.00 0.00 H new ATOM 362 N GLY A 24 7.187 17.021 0.232 1.00 0.00 N ATOM 363 CA GLY A 24 8.222 17.951 0.650 1.00 0.00 C ATOM 364 C GLY A 24 8.343 17.987 2.176 1.00 0.00 C ATOM 365 O GLY A 24 8.617 19.037 2.755 1.00 0.00 O ATOM 0 H GLY A 24 7.510 16.066 0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.177 17.659 0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.992 18.949 0.276 1.00 0.00 H new ATOM 369 N GLY A 25 8.132 16.828 2.781 1.00 0.00 N ATOM 370 CA GLY A 25 8.213 16.714 4.228 1.00 0.00 C ATOM 371 C GLY A 25 7.052 15.884 4.778 1.00 0.00 C ATOM 372 O GLY A 25 6.347 16.323 5.685 1.00 0.00 O ATOM 0 H GLY A 25 7.905 15.960 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.160 16.252 4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.199 17.708 4.676 1.00 0.00 H new ATOM 376 N ARG A 26 6.890 14.699 4.207 1.00 0.00 N ATOM 377 CA ARG A 26 5.827 13.803 4.630 1.00 0.00 C ATOM 378 C ARG A 26 5.875 12.504 3.825 1.00 0.00 C ATOM 379 O ARG A 26 6.403 11.497 4.295 1.00 0.00 O ATOM 380 CB ARG A 26 4.454 14.456 4.451 1.00 0.00 C ATOM 381 CG ARG A 26 3.844 14.830 5.803 1.00 0.00 C ATOM 382 CD ARG A 26 3.155 13.624 6.446 1.00 0.00 C ATOM 383 NE ARG A 26 3.671 13.418 7.817 1.00 0.00 N ATOM 384 CZ ARG A 26 3.360 14.199 8.862 1.00 0.00 C ATOM 385 NH1 ARG A 26 2.534 15.241 8.697 1.00 0.00 N ATOM 386 NH2 ARG A 26 3.875 13.937 10.071 1.00 0.00 N ATOM 0 H ARG A 26 7.477 14.339 3.455 1.00 0.00 H new ATOM 0 HA ARG A 26 5.979 13.584 5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.550 15.348 3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.788 13.772 3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.623 15.205 6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.123 15.637 5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.077 13.783 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.330 12.732 5.845 1.00 0.00 H new ATOM 0 HE ARG A 26 4.303 12.633 7.978 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.142 15.440 7.777 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.297 15.835 9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.504 13.144 10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.638 14.531 10.866 1.00 0.00 H new ATOM 400 N ILE A 27 5.318 12.568 2.625 1.00 0.00 N ATOM 401 CA ILE A 27 5.291 11.408 1.749 1.00 0.00 C ATOM 402 C ILE A 27 6.692 10.793 1.682 1.00 0.00 C ATOM 403 O ILE A 27 6.837 9.604 1.402 1.00 0.00 O ATOM 404 CB ILE A 27 4.719 11.783 0.381 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.499 12.944 -0.241 1.00 0.00 C ATOM 406 CG2 ILE A 27 3.222 12.085 0.477 1.00 0.00 C ATOM 407 CD1 ILE A 27 4.756 13.519 -1.448 1.00 0.00 C ATOM 0 H ILE A 27 4.882 13.405 2.238 1.00 0.00 H new ATOM 0 HA ILE A 27 4.625 10.644 2.149 1.00 0.00 H new ATOM 0 HB ILE A 27 4.833 10.926 -0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.650 13.726 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.487 12.600 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.840 12.349 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.696 11.204 0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.062 12.917 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.332 14.342 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.628 12.741 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.778 13.884 -1.133 1.00 0.00 H new ATOM 419 N GLU A 28 7.684 11.630 1.944 1.00 0.00 N ATOM 420 CA GLU A 28 9.067 11.183 1.917 1.00 0.00 C ATOM 421 C GLU A 28 9.221 9.890 2.719 1.00 0.00 C ATOM 422 O GLU A 28 10.158 9.124 2.494 1.00 0.00 O ATOM 423 CB GLU A 28 10.004 12.271 2.445 1.00 0.00 C ATOM 424 CG GLU A 28 11.467 11.911 2.174 1.00 0.00 C ATOM 425 CD GLU A 28 11.866 12.282 0.744 1.00 0.00 C ATOM 426 OE1 GLU A 28 11.327 11.637 -0.181 1.00 0.00 O ATOM 427 OE2 GLU A 28 12.702 13.201 0.609 1.00 0.00 O ATOM 0 H GLU A 28 7.558 12.615 2.176 1.00 0.00 H new ATOM 0 HA GLU A 28 9.344 10.981 0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.766 13.223 1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.850 12.401 3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.111 12.432 2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.618 10.843 2.332 1.00 0.00 H new ATOM 434 N GLU A 29 8.289 9.685 3.639 1.00 0.00 N ATOM 435 CA GLU A 29 8.312 8.497 4.474 1.00 0.00 C ATOM 436 C GLU A 29 7.322 7.457 3.944 1.00 0.00 C ATOM 437 O GLU A 29 7.635 6.268 3.888 1.00 0.00 O ATOM 438 CB GLU A 29 8.009 8.846 5.933 1.00 0.00 C ATOM 439 CG GLU A 29 9.114 8.336 6.859 1.00 0.00 C ATOM 440 CD GLU A 29 8.524 7.561 8.040 1.00 0.00 C ATOM 441 OE1 GLU A 29 7.695 8.162 8.756 1.00 0.00 O ATOM 442 OE2 GLU A 29 8.916 6.384 8.198 1.00 0.00 O ATOM 0 H GLU A 29 7.514 10.322 3.824 1.00 0.00 H new ATOM 0 HA GLU A 29 9.314 8.070 4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.910 9.926 6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.054 8.408 6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.794 7.693 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.701 9.177 7.228 1.00 0.00 H new ATOM 449 N LEU A 30 6.148 7.941 3.569 1.00 0.00 N ATOM 450 CA LEU A 30 5.110 7.068 3.046 1.00 0.00 C ATOM 451 C LEU A 30 5.642 6.334 1.813 1.00 0.00 C ATOM 452 O LEU A 30 5.606 5.106 1.754 1.00 0.00 O ATOM 453 CB LEU A 30 3.826 7.858 2.785 1.00 0.00 C ATOM 454 CG LEU A 30 3.029 8.271 4.024 1.00 0.00 C ATOM 455 CD1 LEU A 30 2.846 9.789 4.076 1.00 0.00 C ATOM 456 CD2 LEU A 30 1.692 7.530 4.087 1.00 0.00 C ATOM 0 H LEU A 30 5.892 8.927 3.617 1.00 0.00 H new ATOM 0 HA LEU A 30 4.845 6.308 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.084 8.758 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.179 7.260 2.144 1.00 0.00 H new ATOM 0 HG LEU A 30 3.598 7.985 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.276 10.057 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.822 10.272 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.309 10.121 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.145 7.841 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.104 7.764 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.873 6.456 4.130 1.00 0.00 H new ATOM 468 N LYS A 31 6.123 7.118 0.859 1.00 0.00 N ATOM 469 CA LYS A 31 6.661 6.557 -0.369 1.00 0.00 C ATOM 470 C LYS A 31 7.617 5.412 -0.026 1.00 0.00 C ATOM 471 O LYS A 31 7.812 4.501 -0.828 1.00 0.00 O ATOM 472 CB LYS A 31 7.299 7.655 -1.224 1.00 0.00 C ATOM 473 CG LYS A 31 6.276 8.264 -2.185 1.00 0.00 C ATOM 474 CD LYS A 31 6.803 8.261 -3.621 1.00 0.00 C ATOM 475 CE LYS A 31 6.754 6.855 -4.221 1.00 0.00 C ATOM 476 NZ LYS A 31 8.119 6.374 -4.528 1.00 0.00 N ATOM 0 H LYS A 31 6.151 8.136 0.912 1.00 0.00 H new ATOM 0 HA LYS A 31 5.861 6.134 -0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.706 8.434 -0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.134 7.242 -1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.344 7.701 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.048 9.285 -1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.209 8.941 -4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.828 8.631 -3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.270 6.172 -3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.152 6.862 -5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.112 5.337 -4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.439 6.788 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.767 6.659 -3.766 1.00 0.00 H new ATOM 490 N LYS A 32 8.187 5.497 1.167 1.00 0.00 N ATOM 491 CA LYS A 32 9.117 4.480 1.625 1.00 0.00 C ATOM 492 C LYS A 32 8.354 3.180 1.891 1.00 0.00 C ATOM 493 O LYS A 32 8.503 2.207 1.153 1.00 0.00 O ATOM 494 CB LYS A 32 9.910 4.984 2.832 1.00 0.00 C ATOM 495 CG LYS A 32 10.327 6.445 2.644 1.00 0.00 C ATOM 496 CD LYS A 32 11.402 6.843 3.656 1.00 0.00 C ATOM 497 CE LYS A 32 12.793 6.431 3.170 1.00 0.00 C ATOM 498 NZ LYS A 32 13.808 7.415 3.610 1.00 0.00 N ATOM 0 H LYS A 32 8.022 6.255 1.830 1.00 0.00 H new ATOM 0 HA LYS A 32 9.856 4.265 0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.306 4.888 3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.796 4.365 2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.703 6.592 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.458 7.093 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.374 7.921 3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.194 6.372 4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.043 5.444 3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.798 6.356 2.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.746 7.121 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.577 8.351 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.815 7.466 4.649 1.00 0.00 H new ATOM 512 N LYS A 33 7.554 3.206 2.946 1.00 0.00 N ATOM 513 CA LYS A 33 6.768 2.042 3.318 1.00 0.00 C ATOM 514 C LYS A 33 5.936 1.589 2.117 1.00 0.00 C ATOM 515 O LYS A 33 5.726 0.392 1.917 1.00 0.00 O ATOM 516 CB LYS A 33 5.934 2.334 4.567 1.00 0.00 C ATOM 517 CG LYS A 33 6.832 2.671 5.759 1.00 0.00 C ATOM 518 CD LYS A 33 6.517 1.770 6.955 1.00 0.00 C ATOM 519 CE LYS A 33 7.442 2.080 8.133 1.00 0.00 C ATOM 520 NZ LYS A 33 8.252 0.891 8.484 1.00 0.00 N ATOM 0 H LYS A 33 7.433 4.015 3.555 1.00 0.00 H new ATOM 0 HA LYS A 33 7.422 1.212 3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.257 3.165 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.315 1.469 4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.878 2.553 5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.694 3.715 6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.479 1.910 7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.627 0.725 6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.098 2.912 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.851 2.392 8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.874 1.119 9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.622 0.107 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.830 0.611 7.666 1.00 0.00 H new ATOM 534 N TRP A 34 5.485 2.568 1.346 1.00 0.00 N ATOM 535 CA TRP A 34 4.681 2.284 0.169 1.00 0.00 C ATOM 536 C TRP A 34 5.547 1.495 -0.815 1.00 0.00 C ATOM 537 O TRP A 34 5.028 0.738 -1.635 1.00 0.00 O ATOM 538 CB TRP A 34 4.116 3.573 -0.432 1.00 0.00 C ATOM 539 CG TRP A 34 4.069 3.578 -1.961 1.00 0.00 C ATOM 540 CD1 TRP A 34 5.045 3.913 -2.815 1.00 0.00 C ATOM 541 CD2 TRP A 34 2.942 3.216 -2.788 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.633 3.794 -4.127 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.314 3.357 -4.110 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.653 2.785 -2.431 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.453 3.087 -5.180 1.00 0.00 C ATOM 546 CZ3 TRP A 34 0.805 2.519 -3.513 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.163 2.655 -4.848 1.00 0.00 C ATOM 0 H TRP A 34 5.661 3.559 1.513 1.00 0.00 H new ATOM 0 HA TRP A 34 3.813 1.680 0.431 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.108 3.730 -0.047 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.721 4.415 -0.095 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.031 4.236 -2.515 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.193 3.991 -4.956 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.341 2.668 -1.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.767 3.205 -6.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.198 2.184 -3.294 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.450 2.429 -5.627 1.00 0.00 H new ATOM 558 N GLU A 35 6.851 1.698 -0.703 1.00 0.00 N ATOM 559 CA GLU A 35 7.793 1.015 -1.573 1.00 0.00 C ATOM 560 C GLU A 35 7.999 -0.426 -1.104 1.00 0.00 C ATOM 561 O GLU A 35 8.237 -1.319 -1.916 1.00 0.00 O ATOM 562 CB GLU A 35 9.124 1.767 -1.637 1.00 0.00 C ATOM 563 CG GLU A 35 9.380 2.308 -3.045 1.00 0.00 C ATOM 564 CD GLU A 35 10.878 2.356 -3.351 1.00 0.00 C ATOM 565 OE1 GLU A 35 11.483 1.263 -3.395 1.00 0.00 O ATOM 566 OE2 GLU A 35 11.385 3.484 -3.533 1.00 0.00 O ATOM 0 H GLU A 35 7.278 2.326 -0.022 1.00 0.00 H new ATOM 0 HA GLU A 35 7.377 0.992 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.115 2.591 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.936 1.101 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.876 1.678 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.954 3.307 -3.137 1.00 0.00 H new ATOM 573 N GLU A 36 7.901 -0.609 0.205 1.00 0.00 N ATOM 574 CA GLU A 36 8.073 -1.927 0.792 1.00 0.00 C ATOM 575 C GLU A 36 6.749 -2.692 0.776 1.00 0.00 C ATOM 576 O GLU A 36 6.739 -3.921 0.707 1.00 0.00 O ATOM 577 CB GLU A 36 8.633 -1.825 2.213 1.00 0.00 C ATOM 578 CG GLU A 36 9.491 -0.569 2.376 1.00 0.00 C ATOM 579 CD GLU A 36 10.470 -0.722 3.541 1.00 0.00 C ATOM 580 OE1 GLU A 36 9.996 -1.101 4.634 1.00 0.00 O ATOM 581 OE2 GLU A 36 11.670 -0.456 3.314 1.00 0.00 O ATOM 0 H GLU A 36 7.705 0.134 0.876 1.00 0.00 H new ATOM 0 HA GLU A 36 8.795 -2.480 0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.813 -1.805 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.230 -2.709 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.043 -0.379 1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.849 0.295 2.547 1.00 0.00 H new ATOM 588 N LEU A 37 5.664 -1.936 0.845 1.00 0.00 N ATOM 589 CA LEU A 37 4.338 -2.528 0.839 1.00 0.00 C ATOM 590 C LEU A 37 4.027 -3.062 -0.560 1.00 0.00 C ATOM 591 O LEU A 37 3.762 -4.251 -0.730 1.00 0.00 O ATOM 592 CB LEU A 37 3.302 -1.528 1.360 1.00 0.00 C ATOM 593 CG LEU A 37 2.140 -1.213 0.415 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.392 -2.488 0.023 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.207 -0.164 1.026 1.00 0.00 C ATOM 0 H LEU A 37 5.676 -0.918 0.905 1.00 0.00 H new ATOM 0 HA LEU A 37 4.298 -3.378 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.891 -1.913 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.814 -0.596 1.598 1.00 0.00 H new ATOM 0 HG LEU A 37 2.549 -0.786 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.571 -2.236 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.076 -3.171 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.995 -2.966 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.390 0.042 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.802 -0.540 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.764 0.754 1.213 1.00 0.00 H new ATOM 607 N LYS A 38 4.070 -2.156 -1.527 1.00 0.00 N ATOM 608 CA LYS A 38 3.796 -2.522 -2.907 1.00 0.00 C ATOM 609 C LYS A 38 4.647 -3.736 -3.286 1.00 0.00 C ATOM 610 O LYS A 38 4.249 -4.538 -4.130 1.00 0.00 O ATOM 611 CB LYS A 38 3.996 -1.318 -3.829 1.00 0.00 C ATOM 612 CG LYS A 38 3.794 -1.711 -5.295 1.00 0.00 C ATOM 613 CD LYS A 38 4.830 -1.032 -6.192 1.00 0.00 C ATOM 614 CE LYS A 38 4.562 0.471 -6.301 1.00 0.00 C ATOM 615 NZ LYS A 38 3.589 0.745 -7.382 1.00 0.00 N ATOM 0 H LYS A 38 4.290 -1.171 -1.382 1.00 0.00 H new ATOM 0 HA LYS A 38 2.753 -2.815 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.294 -0.529 -3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.999 -0.913 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.871 -2.793 -5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.791 -1.431 -5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.829 -1.198 -5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.807 -1.482 -7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.178 0.848 -5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.494 1.000 -6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.910 1.466 -7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.093 1.092 -8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.079 -0.130 -7.620 1.00 0.00 H new ATOM 629 N LYS A 39 5.803 -3.832 -2.646 1.00 0.00 N ATOM 630 CA LYS A 39 6.713 -4.934 -2.906 1.00 0.00 C ATOM 631 C LYS A 39 6.127 -6.222 -2.326 1.00 0.00 C ATOM 632 O LYS A 39 6.315 -7.301 -2.885 1.00 0.00 O ATOM 633 CB LYS A 39 8.114 -4.607 -2.384 1.00 0.00 C ATOM 634 CG LYS A 39 9.040 -5.819 -2.502 1.00 0.00 C ATOM 635 CD LYS A 39 10.509 -5.390 -2.489 1.00 0.00 C ATOM 636 CE LYS A 39 11.025 -5.247 -1.056 1.00 0.00 C ATOM 637 NZ LYS A 39 12.505 -5.249 -1.035 1.00 0.00 N ATOM 0 H LYS A 39 6.130 -3.164 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 39 6.825 -5.089 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.530 -3.771 -2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.053 -4.291 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.851 -6.507 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.823 -6.359 -3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.111 -6.124 -3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.620 -4.442 -3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.651 -4.321 -0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.646 -6.065 -0.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.838 -5.151 -0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.857 -6.143 -1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.861 -4.454 -1.603 1.00 0.00 H new ATOM 651 N LYS A 40 5.428 -6.067 -1.211 1.00 0.00 N ATOM 652 CA LYS A 40 4.812 -7.205 -0.549 1.00 0.00 C ATOM 653 C LYS A 40 3.618 -7.685 -1.375 1.00 0.00 C ATOM 654 O LYS A 40 3.471 -8.881 -1.622 1.00 0.00 O ATOM 655 CB LYS A 40 4.459 -6.856 0.899 1.00 0.00 C ATOM 656 CG LYS A 40 5.490 -7.435 1.870 1.00 0.00 C ATOM 657 CD LYS A 40 5.563 -6.605 3.152 1.00 0.00 C ATOM 658 CE LYS A 40 6.929 -5.927 3.290 1.00 0.00 C ATOM 659 NZ LYS A 40 7.132 -5.446 4.674 1.00 0.00 N ATOM 0 H LYS A 40 5.274 -5.171 -0.749 1.00 0.00 H new ATOM 0 HA LYS A 40 5.514 -8.037 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.413 -5.773 1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.469 -7.245 1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.227 -8.464 2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.470 -7.461 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.777 -5.850 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.382 -7.246 4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.719 -6.630 3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.998 -5.091 2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.063 -4.989 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.389 -4.760 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.087 -6.251 5.331 1.00 0.00 H new ATOM 673 N ILE A 41 2.795 -6.728 -1.778 1.00 0.00 N ATOM 674 CA ILE A 41 1.618 -7.038 -2.571 1.00 0.00 C ATOM 675 C ILE A 41 2.049 -7.715 -3.873 1.00 0.00 C ATOM 676 O ILE A 41 1.231 -8.326 -4.560 1.00 0.00 O ATOM 677 CB ILE A 41 0.768 -5.783 -2.782 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.567 -5.029 -1.466 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.563 -6.129 -3.455 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.561 -4.002 -1.590 1.00 0.00 C ATOM 0 H ILE A 41 2.920 -5.737 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 41 0.977 -7.743 -2.042 1.00 0.00 H new ATOM 0 HB ILE A 41 1.305 -5.116 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.334 -5.736 -0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.493 -4.526 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.148 -5.220 -3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.372 -6.589 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.118 -6.825 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.684 -3.480 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.314 -3.283 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.490 -4.511 -1.847 1.00 0.00 H new ATOM 692 N GLU A 42 3.333 -7.584 -4.174 1.00 0.00 N ATOM 693 CA GLU A 42 3.883 -8.175 -5.381 1.00 0.00 C ATOM 694 C GLU A 42 4.115 -9.675 -5.180 1.00 0.00 C ATOM 695 O GLU A 42 3.633 -10.491 -5.963 1.00 0.00 O ATOM 696 CB GLU A 42 5.175 -7.471 -5.798 1.00 0.00 C ATOM 697 CG GLU A 42 4.941 -6.564 -7.007 1.00 0.00 C ATOM 698 CD GLU A 42 6.103 -6.660 -7.998 1.00 0.00 C ATOM 699 OE1 GLU A 42 7.207 -6.210 -7.623 1.00 0.00 O ATOM 700 OE2 GLU A 42 5.861 -7.180 -9.109 1.00 0.00 O ATOM 0 H GLU A 42 4.008 -7.077 -3.602 1.00 0.00 H new ATOM 0 HA GLU A 42 3.161 -8.044 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.557 -6.881 -4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.936 -8.213 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.012 -6.845 -7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.826 -5.532 -6.675 1.00 0.00 H new ATOM 707 N GLU A 43 4.854 -9.990 -4.127 1.00 0.00 N ATOM 708 CA GLU A 43 5.157 -11.376 -3.812 1.00 0.00 C ATOM 709 C GLU A 43 3.908 -12.085 -3.284 1.00 0.00 C ATOM 710 O GLU A 43 3.887 -13.309 -3.169 1.00 0.00 O ATOM 711 CB GLU A 43 6.307 -11.472 -2.809 1.00 0.00 C ATOM 712 CG GLU A 43 7.493 -12.233 -3.407 1.00 0.00 C ATOM 713 CD GLU A 43 8.645 -11.281 -3.737 1.00 0.00 C ATOM 714 OE1 GLU A 43 8.356 -10.233 -4.354 1.00 0.00 O ATOM 715 OE2 GLU A 43 9.788 -11.623 -3.366 1.00 0.00 O ATOM 0 H GLU A 43 5.252 -9.309 -3.480 1.00 0.00 H new ATOM 0 HA GLU A 43 5.475 -11.875 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.623 -10.471 -2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.965 -11.976 -1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.834 -12.993 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.177 -12.754 -4.311 1.00 0.00 H new ATOM 722 N LEU A 44 2.898 -11.285 -2.978 1.00 0.00 N ATOM 723 CA LEU A 44 1.648 -11.820 -2.464 1.00 0.00 C ATOM 724 C LEU A 44 1.280 -13.082 -3.246 1.00 0.00 C ATOM 725 O LEU A 44 0.713 -12.999 -4.334 1.00 0.00 O ATOM 726 CB LEU A 44 0.558 -10.747 -2.480 1.00 0.00 C ATOM 727 CG LEU A 44 0.337 -9.996 -1.165 1.00 0.00 C ATOM 728 CD1 LEU A 44 -0.851 -9.039 -1.275 1.00 0.00 C ATOM 729 CD2 LEU A 44 0.181 -10.971 0.003 1.00 0.00 C ATOM 0 H LEU A 44 2.919 -10.270 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 44 1.759 -12.112 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.803 -10.020 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.382 -11.216 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 44 1.221 -9.391 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.987 -8.518 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.661 -8.312 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.753 -9.604 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.025 -10.412 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.676 -11.620 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.082 -11.577 0.094 1.00 0.00 H new ATOM 741 N GLY A 45 1.617 -14.223 -2.661 1.00 0.00 N ATOM 742 CA GLY A 45 1.329 -15.500 -3.290 1.00 0.00 C ATOM 743 C GLY A 45 1.378 -16.638 -2.266 1.00 0.00 C ATOM 744 O GLY A 45 0.485 -16.764 -1.430 1.00 0.00 O ATOM 0 H GLY A 45 2.087 -14.289 -1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.344 -15.467 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.051 -15.689 -4.085 1.00 0.00 H new ATOM 748 N GLY A 46 2.429 -17.438 -2.369 1.00 0.00 N ATOM 749 CA GLY A 46 2.606 -18.560 -1.463 1.00 0.00 C ATOM 750 C GLY A 46 2.155 -18.198 -0.046 1.00 0.00 C ATOM 751 O GLY A 46 1.270 -18.846 0.512 1.00 0.00 O ATOM 0 H GLY A 46 3.166 -17.332 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.035 -19.416 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.654 -18.859 -1.450 1.00 0.00 H new ATOM 755 N GLY A 47 2.783 -17.164 0.495 1.00 0.00 N ATOM 756 CA GLY A 47 2.458 -16.709 1.835 1.00 0.00 C ATOM 757 C GLY A 47 1.194 -15.846 1.829 1.00 0.00 C ATOM 758 O GLY A 47 1.220 -14.704 1.373 1.00 0.00 O ATOM 0 H GLY A 47 3.515 -16.629 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.313 -17.568 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.292 -16.136 2.241 1.00 0.00 H new ATOM 762 N GLY A 48 0.118 -16.426 2.342 1.00 0.00 N ATOM 763 CA GLY A 48 -1.153 -15.725 2.402 1.00 0.00 C ATOM 764 C GLY A 48 -1.247 -14.866 3.665 1.00 0.00 C ATOM 765 O GLY A 48 -2.280 -14.846 4.331 1.00 0.00 O ATOM 0 H GLY A 48 0.101 -17.373 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.267 -15.095 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.971 -16.446 2.386 1.00 0.00 H new ATOM 769 N GLU A 49 -0.154 -14.176 3.954 1.00 0.00 N ATOM 770 CA GLU A 49 -0.099 -13.317 5.125 1.00 0.00 C ATOM 771 C GLU A 49 -0.444 -11.876 4.743 1.00 0.00 C ATOM 772 O GLU A 49 0.091 -10.932 5.321 1.00 0.00 O ATOM 773 CB GLU A 49 1.273 -13.392 5.797 1.00 0.00 C ATOM 774 CG GLU A 49 1.319 -14.526 6.825 1.00 0.00 C ATOM 775 CD GLU A 49 1.456 -13.972 8.245 1.00 0.00 C ATOM 776 OE1 GLU A 49 0.515 -13.271 8.674 1.00 0.00 O ATOM 777 OE2 GLU A 49 2.499 -14.265 8.869 1.00 0.00 O ATOM 0 H GLU A 49 0.701 -14.194 3.398 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.839 -13.669 5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.044 -13.549 5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.495 -12.444 6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.412 -15.126 6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.158 -15.187 6.606 1.00 0.00 H new ATOM 784 N VAL A 50 -1.336 -11.753 3.771 1.00 0.00 N ATOM 785 CA VAL A 50 -1.759 -10.443 3.305 1.00 0.00 C ATOM 786 C VAL A 50 -2.050 -9.547 4.511 1.00 0.00 C ATOM 787 O VAL A 50 -1.831 -8.339 4.457 1.00 0.00 O ATOM 788 CB VAL A 50 -2.956 -10.585 2.362 1.00 0.00 C ATOM 789 CG1 VAL A 50 -3.355 -9.229 1.776 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.664 -11.597 1.253 1.00 0.00 C ATOM 0 H VAL A 50 -1.777 -12.539 3.293 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.965 -9.966 2.731 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.798 -10.960 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.208 -9.357 1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.625 -8.549 2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.517 -8.813 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.531 -11.679 0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.802 -11.265 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.451 -12.570 1.695 1.00 0.00 H new ATOM 800 N LYS A 51 -2.540 -10.175 5.570 1.00 0.00 N ATOM 801 CA LYS A 51 -2.863 -9.449 6.787 1.00 0.00 C ATOM 802 C LYS A 51 -1.815 -8.360 7.020 1.00 0.00 C ATOM 803 O LYS A 51 -2.122 -7.306 7.576 1.00 0.00 O ATOM 804 CB LYS A 51 -3.017 -10.417 7.962 1.00 0.00 C ATOM 805 CG LYS A 51 -4.371 -11.128 7.914 1.00 0.00 C ATOM 806 CD LYS A 51 -4.196 -12.646 7.998 1.00 0.00 C ATOM 807 CE LYS A 51 -5.051 -13.235 9.120 1.00 0.00 C ATOM 808 NZ LYS A 51 -4.371 -14.398 9.734 1.00 0.00 N ATOM 0 H LYS A 51 -2.721 -11.178 5.611 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.826 -8.948 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.214 -11.154 7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.922 -9.872 8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.996 -10.784 8.738 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.890 -10.869 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.474 -13.101 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.147 -12.886 8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.240 -12.475 9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.020 -13.540 8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.965 -14.786 10.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.212 -15.129 9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.457 -14.097 10.129 1.00 0.00 H new ATOM 822 N LYS A 52 -0.598 -8.651 6.583 1.00 0.00 N ATOM 823 CA LYS A 52 0.498 -7.709 6.737 1.00 0.00 C ATOM 824 C LYS A 52 0.339 -6.579 5.720 1.00 0.00 C ATOM 825 O LYS A 52 0.252 -5.410 6.094 1.00 0.00 O ATOM 826 CB LYS A 52 1.843 -8.433 6.647 1.00 0.00 C ATOM 827 CG LYS A 52 2.461 -8.615 8.035 1.00 0.00 C ATOM 828 CD LYS A 52 2.984 -10.041 8.220 1.00 0.00 C ATOM 829 CE LYS A 52 4.461 -10.036 8.619 1.00 0.00 C ATOM 830 NZ LYS A 52 4.611 -10.371 10.054 1.00 0.00 N ATOM 0 H LYS A 52 -0.347 -9.526 6.122 1.00 0.00 H new ATOM 0 HA LYS A 52 0.473 -7.253 7.727 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.706 -9.406 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.524 -7.865 6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.277 -7.904 8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.717 -8.395 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.399 -10.550 8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.856 -10.602 7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.010 -10.756 8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.894 -9.056 8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.619 -10.363 10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.103 -9.669 10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.216 -11.316 10.233 1.00 0.00 H new ATOM 844 N VAL A 53 0.307 -6.965 4.453 1.00 0.00 N ATOM 845 CA VAL A 53 0.160 -5.997 3.379 1.00 0.00 C ATOM 846 C VAL A 53 -0.859 -4.934 3.791 1.00 0.00 C ATOM 847 O VAL A 53 -0.513 -3.764 3.945 1.00 0.00 O ATOM 848 CB VAL A 53 -0.215 -6.712 2.079 1.00 0.00 C ATOM 849 CG1 VAL A 53 -1.098 -5.824 1.200 1.00 0.00 C ATOM 850 CG2 VAL A 53 1.036 -7.163 1.321 1.00 0.00 C ATOM 0 H VAL A 53 0.380 -7.935 4.146 1.00 0.00 H new ATOM 0 HA VAL A 53 1.105 -5.486 3.194 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.788 -7.602 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.350 -6.356 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.013 -5.574 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.561 -4.908 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.742 -7.668 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.647 -6.294 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.611 -7.848 1.943 1.00 0.00 H new ATOM 860 N GLU A 54 -2.097 -5.379 3.959 1.00 0.00 N ATOM 861 CA GLU A 54 -3.168 -4.480 4.351 1.00 0.00 C ATOM 862 C GLU A 54 -2.684 -3.518 5.438 1.00 0.00 C ATOM 863 O GLU A 54 -2.619 -2.309 5.218 1.00 0.00 O ATOM 864 CB GLU A 54 -4.397 -5.262 4.820 1.00 0.00 C ATOM 865 CG GLU A 54 -4.733 -6.392 3.844 1.00 0.00 C ATOM 866 CD GLU A 54 -6.211 -6.353 3.449 1.00 0.00 C ATOM 867 OE1 GLU A 54 -7.034 -6.114 4.357 1.00 0.00 O ATOM 868 OE2 GLU A 54 -6.481 -6.562 2.246 1.00 0.00 O ATOM 0 H GLU A 54 -2.381 -6.350 3.831 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.461 -3.895 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.213 -5.676 5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.249 -4.588 4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.112 -6.304 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.500 -7.354 4.301 1.00 0.00 H new ATOM 875 N GLU A 55 -2.356 -4.090 6.587 1.00 0.00 N ATOM 876 CA GLU A 55 -1.879 -3.298 7.708 1.00 0.00 C ATOM 877 C GLU A 55 -0.841 -2.278 7.234 1.00 0.00 C ATOM 878 O GLU A 55 -0.691 -1.215 7.834 1.00 0.00 O ATOM 879 CB GLU A 55 -1.305 -4.194 8.807 1.00 0.00 C ATOM 880 CG GLU A 55 -2.143 -4.102 10.083 1.00 0.00 C ATOM 881 CD GLU A 55 -1.250 -4.041 11.323 1.00 0.00 C ATOM 882 OE1 GLU A 55 -0.304 -3.223 11.301 1.00 0.00 O ATOM 883 OE2 GLU A 55 -1.532 -4.811 12.266 1.00 0.00 O ATOM 0 H GLU A 55 -2.411 -5.093 6.766 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.725 -2.756 8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.276 -5.227 8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.277 -3.900 9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.777 -3.216 10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.806 -4.965 10.150 1.00 0.00 H new ATOM 890 N GLU A 56 -0.151 -2.638 6.162 1.00 0.00 N ATOM 891 CA GLU A 56 0.868 -1.767 5.600 1.00 0.00 C ATOM 892 C GLU A 56 0.218 -0.635 4.804 1.00 0.00 C ATOM 893 O GLU A 56 0.623 0.521 4.918 1.00 0.00 O ATOM 894 CB GLU A 56 1.846 -2.559 4.730 1.00 0.00 C ATOM 895 CG GLU A 56 3.220 -1.886 4.698 1.00 0.00 C ATOM 896 CD GLU A 56 3.736 -1.626 6.115 1.00 0.00 C ATOM 897 OE1 GLU A 56 4.051 -2.625 6.797 1.00 0.00 O ATOM 898 OE2 GLU A 56 3.804 -0.433 6.484 1.00 0.00 O ATOM 0 H GLU A 56 -0.277 -3.521 5.667 1.00 0.00 H new ATOM 0 HA GLU A 56 1.436 -1.328 6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.943 -3.574 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.453 -2.640 3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.926 -2.518 4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.155 -0.945 4.152 1.00 0.00 H new ATOM 905 N VAL A 57 -0.779 -1.006 4.014 1.00 0.00 N ATOM 906 CA VAL A 57 -1.489 -0.035 3.198 1.00 0.00 C ATOM 907 C VAL A 57 -2.324 0.873 4.104 1.00 0.00 C ATOM 908 O VAL A 57 -2.641 2.002 3.735 1.00 0.00 O ATOM 909 CB VAL A 57 -2.325 -0.754 2.138 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.641 0.176 0.965 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.624 -2.025 1.656 1.00 0.00 C ATOM 0 H VAL A 57 -1.112 -1.966 3.922 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.785 0.601 2.661 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.269 -1.046 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.236 -0.360 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.201 1.039 1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.711 0.513 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.240 -2.517 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.658 -1.766 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.474 -2.700 2.499 1.00 0.00 H new ATOM 921 N LYS A 58 -2.655 0.345 5.273 1.00 0.00 N ATOM 922 CA LYS A 58 -3.447 1.093 6.235 1.00 0.00 C ATOM 923 C LYS A 58 -2.629 2.279 6.749 1.00 0.00 C ATOM 924 O LYS A 58 -3.089 3.420 6.707 1.00 0.00 O ATOM 925 CB LYS A 58 -3.956 0.170 7.344 1.00 0.00 C ATOM 926 CG LYS A 58 -5.280 0.680 7.917 1.00 0.00 C ATOM 927 CD LYS A 58 -6.415 -0.308 7.637 1.00 0.00 C ATOM 928 CE LYS A 58 -6.617 -1.260 8.818 1.00 0.00 C ATOM 929 NZ LYS A 58 -6.480 -2.666 8.378 1.00 0.00 N ATOM 0 H LYS A 58 -2.389 -0.592 5.576 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.338 1.502 5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.090 -0.838 6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.212 0.106 8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.181 0.831 8.992 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.520 1.649 7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.338 0.238 7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.190 -0.881 6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.886 -1.043 9.597 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.603 -1.104 9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.620 -3.299 9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.194 -2.873 7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.530 -2.815 7.983 1.00 0.00 H new ATOM 943 N LYS A 59 -1.431 1.971 7.223 1.00 0.00 N ATOM 944 CA LYS A 59 -0.546 2.997 7.745 1.00 0.00 C ATOM 945 C LYS A 59 -0.579 4.213 6.818 1.00 0.00 C ATOM 946 O LYS A 59 -0.474 5.351 7.275 1.00 0.00 O ATOM 947 CB LYS A 59 0.858 2.431 7.967 1.00 0.00 C ATOM 948 CG LYS A 59 1.716 3.396 8.789 1.00 0.00 C ATOM 949 CD LYS A 59 3.205 3.115 8.586 1.00 0.00 C ATOM 950 CE LYS A 59 3.968 3.224 9.908 1.00 0.00 C ATOM 951 NZ LYS A 59 3.555 2.147 10.836 1.00 0.00 N ATOM 0 H LYS A 59 -1.053 1.024 7.256 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.888 3.333 8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.790 1.472 8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.335 2.244 7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.493 4.423 8.499 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.465 3.301 9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.337 2.117 8.167 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.617 3.821 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.040 3.160 9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.781 4.196 10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.346 1.912 11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.743 2.468 11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.286 1.303 10.291 1.00 0.00 H new ATOM 965 N LEU A 60 -0.728 3.933 5.531 1.00 0.00 N ATOM 966 CA LEU A 60 -0.778 4.991 4.536 1.00 0.00 C ATOM 967 C LEU A 60 -2.092 5.761 4.681 1.00 0.00 C ATOM 968 O LEU A 60 -2.102 6.892 5.163 1.00 0.00 O ATOM 969 CB LEU A 60 -0.552 4.418 3.135 1.00 0.00 C ATOM 970 CG LEU A 60 0.892 4.433 2.629 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.403 3.011 2.388 1.00 0.00 C ATOM 972 CD2 LEU A 60 1.027 5.310 1.382 1.00 0.00 C ATOM 0 H LEU A 60 -0.816 2.989 5.155 1.00 0.00 H new ATOM 0 HA LEU A 60 0.029 5.705 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.909 3.388 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.168 4.978 2.431 1.00 0.00 H new ATOM 0 HG LEU A 60 1.521 4.874 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.431 3.050 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.365 2.448 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.777 2.521 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.063 5.303 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.384 4.921 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.730 6.331 1.621 1.00 0.00 H new ATOM 984 N GLU A 61 -3.168 5.116 4.256 1.00 0.00 N ATOM 985 CA GLU A 61 -4.484 5.727 4.332 1.00 0.00 C ATOM 986 C GLU A 61 -4.596 6.592 5.589 1.00 0.00 C ATOM 987 O GLU A 61 -5.010 7.748 5.517 1.00 0.00 O ATOM 988 CB GLU A 61 -5.585 4.664 4.298 1.00 0.00 C ATOM 989 CG GLU A 61 -5.740 4.081 2.892 1.00 0.00 C ATOM 990 CD GLU A 61 -7.130 4.378 2.325 1.00 0.00 C ATOM 991 OE1 GLU A 61 -8.109 3.937 2.965 1.00 0.00 O ATOM 992 OE2 GLU A 61 -7.181 5.039 1.265 1.00 0.00 O ATOM 0 H GLU A 61 -3.156 4.177 3.858 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.616 6.368 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.348 3.867 5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.529 5.103 4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.978 4.500 2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.578 3.004 2.921 1.00 0.00 H new ATOM 999 N GLU A 62 -4.222 5.997 6.713 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.275 6.699 7.984 1.00 0.00 C ATOM 1001 C GLU A 62 -3.428 7.971 7.924 1.00 0.00 C ATOM 1002 O GLU A 62 -3.961 9.079 7.948 1.00 0.00 O ATOM 1003 CB GLU A 62 -3.822 5.792 9.130 1.00 0.00 C ATOM 1004 CG GLU A 62 -5.015 5.332 9.970 1.00 0.00 C ATOM 1005 CD GLU A 62 -4.548 4.661 11.263 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -3.554 5.159 11.835 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -5.196 3.664 11.651 1.00 0.00 O ATOM 0 H GLU A 62 -3.881 5.037 6.769 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.309 6.984 8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.300 4.924 8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.112 6.326 9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.648 6.187 10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.623 4.635 9.393 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.119 7.771 7.848 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.193 8.889 7.784 1.00 0.00 C ATOM 1016 C GLU A 63 -1.578 9.832 6.643 1.00 0.00 C ATOM 1017 O GLU A 63 -1.690 11.041 6.843 1.00 0.00 O ATOM 1018 CB GLU A 63 0.247 8.397 7.627 1.00 0.00 C ATOM 1019 CG GLU A 63 1.180 9.115 8.605 1.00 0.00 C ATOM 1020 CD GLU A 63 1.689 8.157 9.682 1.00 0.00 C ATOM 1021 OE1 GLU A 63 0.848 7.393 10.206 1.00 0.00 O ATOM 1022 OE2 GLU A 63 2.907 8.207 9.959 1.00 0.00 O ATOM 0 H GLU A 63 -1.679 6.851 7.829 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.254 9.442 8.721 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.289 7.322 7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.584 8.568 6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.025 9.539 8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.652 9.946 9.073 1.00 0.00 H new ATOM 1029 N ILE A 64 -1.770 9.245 5.471 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.140 10.019 4.298 1.00 0.00 C ATOM 1031 C ILE A 64 -3.409 10.820 4.601 1.00 0.00 C ATOM 1032 O ILE A 64 -3.552 11.955 4.150 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.264 9.110 3.074 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -0.972 8.323 2.843 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -2.678 9.909 1.837 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -0.715 8.121 1.348 1.00 0.00 C ATOM 0 H ILE A 64 -1.676 8.242 5.308 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.359 10.739 4.054 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.054 8.384 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.133 8.854 3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.038 7.355 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.759 9.239 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.642 10.385 2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.929 10.673 1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.209 7.559 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.545 7.568 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.626 9.091 0.860 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.297 10.197 5.361 1.00 0.00 N ATOM 1049 CA LYS A 65 -5.547 10.838 5.729 1.00 0.00 C ATOM 1050 C LYS A 65 -5.266 11.961 6.729 1.00 0.00 C ATOM 1051 O LYS A 65 -6.102 12.840 6.933 1.00 0.00 O ATOM 1052 CB LYS A 65 -6.552 9.801 6.236 1.00 0.00 C ATOM 1053 CG LYS A 65 -7.211 9.062 5.069 1.00 0.00 C ATOM 1054 CD LYS A 65 -7.789 7.721 5.527 1.00 0.00 C ATOM 1055 CE LYS A 65 -9.122 7.433 4.833 1.00 0.00 C ATOM 1056 NZ LYS A 65 -9.046 6.167 4.070 1.00 0.00 N ATOM 0 H LYS A 65 -4.175 9.255 5.732 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.010 11.297 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.046 9.086 6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.316 10.293 6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.004 9.678 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.479 8.896 4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.081 6.922 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.932 7.733 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.919 7.370 5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.374 8.254 4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.007 5.810 3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.567 6.337 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.511 5.463 4.618 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.086 11.895 7.328 1.00 0.00 N ATOM 1071 CA LYS A 66 -3.683 12.895 8.302 1.00 0.00 C ATOM 1072 C LYS A 66 -3.301 14.185 7.574 1.00 0.00 C ATOM 1073 O LYS A 66 -3.579 15.281 8.058 1.00 0.00 O ATOM 1074 CB LYS A 66 -2.577 12.348 9.206 1.00 0.00 C ATOM 1075 CG LYS A 66 -2.682 12.931 10.616 1.00 0.00 C ATOM 1076 CD LYS A 66 -1.467 13.803 10.941 1.00 0.00 C ATOM 1077 CE LYS A 66 -0.549 13.111 11.949 1.00 0.00 C ATOM 1078 NZ LYS A 66 -1.133 13.170 13.308 1.00 0.00 N ATOM 0 H LYS A 66 -3.396 11.164 7.157 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.514 13.137 8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.645 11.261 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.603 12.589 8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.593 13.524 10.701 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.759 12.122 11.343 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.913 14.017 10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.799 14.760 11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.396 12.072 11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.430 13.590 11.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.497 12.695 13.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.256 14.163 13.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.057 12.693 13.310 1.00 0.00 H new ATOM 1092 N LEU A 67 -2.669 14.012 6.423 1.00 0.00 N ATOM 1093 CA LEU A 67 -2.245 15.148 5.623 1.00 0.00 C ATOM 1094 C LEU A 67 -3.448 16.055 5.356 1.00 0.00 C ATOM 1095 O LEU A 67 -3.651 16.507 4.230 1.00 0.00 O ATOM 1096 CB LEU A 67 -1.537 14.676 4.352 1.00 0.00 C ATOM 1097 CG LEU A 67 -0.221 13.923 4.558 1.00 0.00 C ATOM 1098 CD1 LEU A 67 -0.126 12.718 3.620 1.00 0.00 C ATOM 1099 CD2 LEU A 67 0.978 14.862 4.407 1.00 0.00 C ATOM 0 H LEU A 67 -2.440 13.101 6.025 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.510 15.742 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.219 14.031 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.341 15.546 3.725 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.204 13.540 5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.819 12.201 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.953 12.036 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.176 13.057 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.900 14.301 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.977 15.296 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.912 15.659 5.148 1.00 0.00 H new TER 1111 LEU A 67