USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=10 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+ 148:sc= 0 (180deg=-0.203) USER MOD Single : A 10 LYS NZ :NH3+ 143:sc= 0.111 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= -0.0611 (180deg=-0.388) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= 0.00359 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= 0.0422 (180deg=-0.103) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 135:sc=-0.00484 (180deg=-0.418) USER MOD Single : A 34 TYR OH : rot 130:sc= -10.3! USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= 0.00391 (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+ 143:sc= -0.0947 (180deg=-1.58!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.103 -5.487 10.135 1.00 0.00 N ATOM 2 CA GLY A 1 -15.304 -5.333 8.888 1.00 0.00 C ATOM 3 C GLY A 1 -15.931 -4.355 7.914 1.00 0.00 C ATOM 4 O GLY A 1 -16.288 -3.238 8.290 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.632 -6.165 10.767 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.182 -4.566 10.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.053 -5.837 9.898 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.300 -4.994 9.143 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.199 -6.305 8.405 1.00 0.00 H new ATOM 10 N SER A 2 -16.065 -4.776 6.659 1.00 0.00 N ATOM 11 CA SER A 2 -16.654 -3.932 5.624 1.00 0.00 C ATOM 12 C SER A 2 -15.739 -2.756 5.292 1.00 0.00 C ATOM 13 O SER A 2 -15.178 -2.682 4.198 1.00 0.00 O ATOM 14 CB SER A 2 -18.029 -3.420 6.066 1.00 0.00 C ATOM 15 OG SER A 2 -19.059 -3.972 5.265 1.00 0.00 O ATOM 0 H SER A 2 -15.773 -5.698 6.334 1.00 0.00 H new ATOM 0 HA SER A 2 -16.776 -4.538 4.726 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.198 -3.679 7.111 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.055 -2.332 5.999 1.00 0.00 H new ATOM 0 HG SER A 2 -19.927 -3.632 5.568 1.00 0.00 H new ATOM 21 N ARG A 3 -15.592 -1.839 6.242 1.00 0.00 N ATOM 22 CA ARG A 3 -14.746 -0.668 6.049 1.00 0.00 C ATOM 23 C ARG A 3 -13.274 -1.064 5.979 1.00 0.00 C ATOM 24 O ARG A 3 -12.502 -0.488 5.211 1.00 0.00 O ATOM 25 CB ARG A 3 -14.964 0.340 7.180 1.00 0.00 C ATOM 26 CG ARG A 3 -14.650 -0.215 8.559 1.00 0.00 C ATOM 27 CD ARG A 3 -13.279 0.232 9.039 1.00 0.00 C ATOM 28 NE ARG A 3 -13.256 1.651 9.384 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.883 2.168 10.439 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.580 1.386 11.255 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.812 3.471 10.679 1.00 0.00 N ATOM 0 H ARG A 3 -16.048 -1.884 7.153 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.023 -0.204 5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.341 1.216 7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.001 0.677 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.410 0.115 9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.690 -1.304 8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.990 -0.357 9.909 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.541 0.036 8.261 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.729 2.283 8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.637 0.384 11.075 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.058 1.788 12.061 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.277 4.076 10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.292 3.868 11.487 1.00 0.00 H new ATOM 45 N VAL A 4 -12.890 -2.052 6.782 1.00 0.00 N ATOM 46 CA VAL A 4 -11.511 -2.524 6.806 1.00 0.00 C ATOM 47 C VAL A 4 -11.180 -3.307 5.539 1.00 0.00 C ATOM 48 O VAL A 4 -10.128 -3.106 4.932 1.00 0.00 O ATOM 49 CB VAL A 4 -11.244 -3.418 8.032 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.766 -3.764 8.129 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.725 -2.740 9.306 1.00 0.00 C ATOM 0 H VAL A 4 -13.514 -2.540 7.424 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.874 -1.642 6.865 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.804 -4.345 7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.597 -4.396 9.001 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.457 -4.297 7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.183 -2.848 8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.527 -3.388 10.160 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.197 -1.795 9.437 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.796 -2.550 9.235 1.00 0.00 H new ATOM 61 N LYS A 5 -12.086 -4.196 5.141 1.00 0.00 N ATOM 62 CA LYS A 5 -11.883 -5.002 3.941 1.00 0.00 C ATOM 63 C LYS A 5 -11.756 -4.106 2.714 1.00 0.00 C ATOM 64 O LYS A 5 -10.902 -4.328 1.858 1.00 0.00 O ATOM 65 CB LYS A 5 -13.038 -5.992 3.756 1.00 0.00 C ATOM 66 CG LYS A 5 -13.094 -6.621 2.372 1.00 0.00 C ATOM 67 CD LYS A 5 -11.777 -7.284 2.004 1.00 0.00 C ATOM 68 CE LYS A 5 -11.669 -8.677 2.604 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.914 -8.673 3.887 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.963 -4.376 5.629 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.958 -5.566 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.949 -6.783 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.979 -5.477 3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.895 -7.359 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.336 -5.856 1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.690 -7.346 0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.948 -6.670 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.668 -9.078 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.175 -9.340 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.287 -9.416 4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.907 -8.853 3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.020 -7.747 4.349 1.00 0.00 H new ATOM 83 N ALA A 6 -12.603 -3.085 2.642 1.00 0.00 N ATOM 84 CA ALA A 6 -12.575 -2.149 1.528 1.00 0.00 C ATOM 85 C ALA A 6 -11.194 -1.521 1.403 1.00 0.00 C ATOM 86 O ALA A 6 -10.712 -1.258 0.304 1.00 0.00 O ATOM 87 CB ALA A 6 -13.636 -1.076 1.710 1.00 0.00 C ATOM 0 H ALA A 6 -13.317 -2.886 3.343 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.792 -2.693 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.602 -0.384 0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.620 -1.542 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.448 -0.531 2.635 1.00 0.00 H new ATOM 93 N LEU A 7 -10.566 -1.293 2.550 1.00 0.00 N ATOM 94 CA LEU A 7 -9.235 -0.705 2.608 1.00 0.00 C ATOM 95 C LEU A 7 -8.227 -1.558 1.844 1.00 0.00 C ATOM 96 O LEU A 7 -7.356 -1.039 1.150 1.00 0.00 O ATOM 97 CB LEU A 7 -8.802 -0.586 4.069 1.00 0.00 C ATOM 98 CG LEU A 7 -8.076 0.704 4.436 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.720 0.770 3.752 1.00 0.00 C ATOM 100 CD2 LEU A 7 -8.922 1.915 4.071 1.00 0.00 C ATOM 0 H LEU A 7 -10.964 -1.510 3.464 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.268 0.281 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.686 -0.677 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.152 -1.428 4.307 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.914 0.712 5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.219 1.698 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.112 -0.078 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.856 0.738 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.388 2.826 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.118 1.912 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.867 1.875 4.612 1.00 0.00 H new ATOM 112 N GLU A 8 -8.349 -2.870 1.991 1.00 0.00 N ATOM 113 CA GLU A 8 -7.449 -3.809 1.329 1.00 0.00 C ATOM 114 C GLU A 8 -7.622 -3.778 -0.192 1.00 0.00 C ATOM 115 O GLU A 8 -6.671 -4.010 -0.938 1.00 0.00 O ATOM 116 CB GLU A 8 -7.681 -5.229 1.869 1.00 0.00 C ATOM 117 CG GLU A 8 -8.660 -6.064 1.052 1.00 0.00 C ATOM 118 CD GLU A 8 -7.994 -6.760 -0.120 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.806 -7.124 0.004 1.00 0.00 O ATOM 120 OE2 GLU A 8 -8.662 -6.942 -1.159 1.00 0.00 O1- ATOM 0 H GLU A 8 -9.066 -3.312 2.566 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.425 -3.506 1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.724 -5.750 1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.049 -5.159 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.123 -6.810 1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.460 -5.422 0.682 1.00 0.00 H new ATOM 127 N GLU A 9 -8.843 -3.508 -0.643 1.00 0.00 N ATOM 128 CA GLU A 9 -9.147 -3.467 -2.072 1.00 0.00 C ATOM 129 C GLU A 9 -8.451 -2.302 -2.774 1.00 0.00 C ATOM 130 O GLU A 9 -8.009 -2.435 -3.914 1.00 0.00 O ATOM 131 CB GLU A 9 -10.659 -3.369 -2.283 1.00 0.00 C ATOM 132 CG GLU A 9 -11.362 -4.715 -2.278 1.00 0.00 C ATOM 133 CD GLU A 9 -10.946 -5.594 -3.441 1.00 0.00 C ATOM 134 OE1 GLU A 9 -10.545 -5.043 -4.488 1.00 0.00 O ATOM 135 OE2 GLU A 9 -11.022 -6.833 -3.306 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.641 -3.314 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.771 -4.391 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.087 -2.742 -1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.853 -2.870 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.146 -5.230 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.440 -4.558 -2.313 1.00 0.00 H new ATOM 142 N LYS A 10 -8.371 -1.160 -2.100 1.00 0.00 N ATOM 143 CA LYS A 10 -7.743 0.027 -2.673 1.00 0.00 C ATOM 144 C LYS A 10 -6.224 -0.120 -2.751 1.00 0.00 C ATOM 145 O LYS A 10 -5.591 0.381 -3.679 1.00 0.00 O ATOM 146 CB LYS A 10 -8.109 1.268 -1.855 1.00 0.00 C ATOM 147 CG LYS A 10 -7.677 1.192 -0.400 1.00 0.00 C ATOM 148 CD LYS A 10 -7.589 2.573 0.226 1.00 0.00 C ATOM 149 CE LYS A 10 -8.968 3.133 0.533 1.00 0.00 C ATOM 150 NZ LYS A 10 -8.892 4.454 1.216 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.733 -1.030 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.120 0.141 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.651 2.143 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.188 1.414 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.386 0.582 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.708 0.698 -0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.003 2.521 1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.063 3.247 -0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.533 3.236 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.513 2.430 1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.663 5.065 0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.983 4.319 2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.977 4.902 1.005 1.00 0.00 H new ATOM 164 N VAL A 11 -5.648 -0.798 -1.767 1.00 0.00 N ATOM 165 CA VAL A 11 -4.203 -1.001 -1.714 1.00 0.00 C ATOM 166 C VAL A 11 -3.703 -1.825 -2.897 1.00 0.00 C ATOM 167 O VAL A 11 -2.648 -1.536 -3.460 1.00 0.00 O ATOM 168 CB VAL A 11 -3.791 -1.703 -0.403 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.278 -1.854 -0.315 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.329 -0.941 0.801 1.00 0.00 C ATOM 0 H VAL A 11 -6.160 -1.219 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.747 -0.012 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.227 -2.702 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.016 -2.352 0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.922 -2.449 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.812 -0.869 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.029 -1.450 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.926 0.072 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.417 -0.899 0.749 1.00 0.00 H new ATOM 180 N LYS A 12 -4.454 -2.858 -3.257 1.00 0.00 N ATOM 181 CA LYS A 12 -4.079 -3.734 -4.362 1.00 0.00 C ATOM 182 C LYS A 12 -4.192 -3.024 -5.700 1.00 0.00 C ATOM 183 O LYS A 12 -3.357 -3.213 -6.585 1.00 0.00 O ATOM 184 CB LYS A 12 -4.939 -4.997 -4.367 1.00 0.00 C ATOM 185 CG LYS A 12 -4.145 -6.262 -4.650 1.00 0.00 C ATOM 186 CD LYS A 12 -3.825 -7.011 -3.369 1.00 0.00 C ATOM 187 CE LYS A 12 -3.666 -8.502 -3.620 1.00 0.00 C ATOM 188 NZ LYS A 12 -4.953 -9.141 -4.012 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.329 -3.111 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.036 -4.015 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.434 -5.095 -3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.722 -4.892 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.713 -6.908 -5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.219 -6.005 -5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.908 -6.614 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.620 -6.846 -2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.928 -8.661 -4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.282 -8.982 -2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.921 -10.155 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.735 -8.694 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.103 -9.021 -5.034 1.00 0.00 H new ATOM 202 N ALA A 13 -5.222 -2.204 -5.845 1.00 0.00 N ATOM 203 CA ALA A 13 -5.427 -1.468 -7.082 1.00 0.00 C ATOM 204 C ALA A 13 -4.193 -0.639 -7.391 1.00 0.00 C ATOM 205 O ALA A 13 -3.786 -0.510 -8.547 1.00 0.00 O ATOM 206 CB ALA A 13 -6.659 -0.581 -6.978 1.00 0.00 C ATOM 0 H ALA A 13 -5.925 -2.032 -5.126 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.591 -2.175 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.796 -0.038 -7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.536 -1.198 -6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.528 0.129 -6.162 1.00 0.00 H new ATOM 212 N LEU A 14 -3.584 -0.104 -6.341 1.00 0.00 N ATOM 213 CA LEU A 14 -2.368 0.685 -6.488 1.00 0.00 C ATOM 214 C LEU A 14 -1.199 -0.216 -6.866 1.00 0.00 C ATOM 215 O LEU A 14 -0.271 0.201 -7.549 1.00 0.00 O ATOM 216 CB LEU A 14 -2.051 1.442 -5.200 1.00 0.00 C ATOM 217 CG LEU A 14 -1.427 2.824 -5.409 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.831 3.769 -4.289 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.089 2.717 -5.506 1.00 0.00 C ATOM 0 H LEU A 14 -3.911 -0.202 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.528 1.413 -7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.970 1.556 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.372 0.839 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.801 3.232 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.377 4.746 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.916 3.871 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.490 3.369 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.515 3.709 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.483 2.287 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.356 2.078 -6.348 1.00 0.00 H new ATOM 231 N GLU A 15 -1.259 -1.455 -6.398 1.00 0.00 N ATOM 232 CA GLU A 15 -0.220 -2.444 -6.655 1.00 0.00 C ATOM 233 C GLU A 15 0.035 -2.619 -8.151 1.00 0.00 C ATOM 234 O GLU A 15 1.173 -2.794 -8.583 1.00 0.00 O ATOM 235 CB GLU A 15 -0.633 -3.781 -6.040 1.00 0.00 C ATOM 236 CG GLU A 15 0.535 -4.686 -5.708 1.00 0.00 C ATOM 237 CD GLU A 15 0.281 -5.541 -4.481 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.086 -4.975 -3.430 1.00 0.00 O ATOM 239 OE2 GLU A 15 0.450 -6.775 -4.573 1.00 0.00 O1- ATOM 0 H GLU A 15 -2.030 -1.804 -5.829 1.00 0.00 H new ATOM 0 HA GLU A 15 0.706 -2.092 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.204 -3.592 -5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.297 -4.299 -6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.742 -5.333 -6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.425 -4.079 -5.545 1.00 0.00 H new ATOM 246 N GLU A 16 -1.038 -2.587 -8.928 1.00 0.00 N ATOM 247 CA GLU A 16 -0.958 -2.755 -10.377 1.00 0.00 C ATOM 248 C GLU A 16 -0.217 -1.597 -11.031 1.00 0.00 C ATOM 249 O GLU A 16 0.463 -1.772 -12.040 1.00 0.00 O ATOM 250 CB GLU A 16 -2.360 -2.877 -10.973 1.00 0.00 C ATOM 251 CG GLU A 16 -3.014 -4.226 -10.719 1.00 0.00 C ATOM 252 CD GLU A 16 -3.544 -4.865 -11.988 1.00 0.00 C ATOM 253 OE1 GLU A 16 -3.958 -4.119 -12.900 1.00 0.00 O ATOM 254 OE2 GLU A 16 -3.544 -6.111 -12.070 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.985 -2.445 -8.577 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.400 -3.670 -10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.992 -2.092 -10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.305 -2.706 -12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.290 -4.895 -10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.833 -4.101 -10.010 1.00 0.00 H new ATOM 261 N LYS A 17 -0.356 -0.413 -10.453 1.00 0.00 N ATOM 262 CA LYS A 17 0.301 0.772 -10.984 1.00 0.00 C ATOM 263 C LYS A 17 1.812 0.694 -10.768 1.00 0.00 C ATOM 264 O LYS A 17 2.589 1.245 -11.547 1.00 0.00 O ATOM 265 CB LYS A 17 -0.284 2.045 -10.350 1.00 0.00 C ATOM 266 CG LYS A 17 0.249 2.366 -8.959 1.00 0.00 C ATOM 267 CD LYS A 17 0.852 3.762 -8.899 1.00 0.00 C ATOM 268 CE LYS A 17 1.989 3.926 -9.895 1.00 0.00 C ATOM 269 NZ LYS A 17 1.971 5.268 -10.542 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.917 -0.247 -9.617 1.00 0.00 H new ATOM 0 HA LYS A 17 0.118 0.816 -12.058 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.078 2.890 -11.007 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.368 1.942 -10.294 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.559 2.286 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.003 1.631 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.078 4.502 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.220 3.957 -7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.942 3.781 -9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.916 3.153 -10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.762 5.340 -11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.072 5.397 -11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.066 6.005 -9.815 1.00 0.00 H new ATOM 283 N VAL A 18 2.218 0.018 -9.697 1.00 0.00 N ATOM 284 CA VAL A 18 3.635 -0.117 -9.366 1.00 0.00 C ATOM 285 C VAL A 18 4.376 -1.006 -10.361 1.00 0.00 C ATOM 286 O VAL A 18 5.461 -0.658 -10.823 1.00 0.00 O ATOM 287 CB VAL A 18 3.824 -0.690 -7.949 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.287 -0.626 -7.536 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.948 0.052 -6.951 1.00 0.00 C ATOM 0 H VAL A 18 1.587 -0.445 -9.043 1.00 0.00 H new ATOM 0 HA VAL A 18 4.056 0.887 -9.415 1.00 0.00 H new ATOM 0 HB VAL A 18 3.519 -1.736 -7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.400 -1.035 -6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.888 -1.208 -8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.623 0.411 -7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.095 -0.367 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.219 1.108 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.901 -0.052 -7.237 1.00 0.00 H new ATOM 299 N LYS A 19 3.795 -2.154 -10.688 1.00 0.00 N ATOM 300 CA LYS A 19 4.419 -3.079 -11.629 1.00 0.00 C ATOM 301 C LYS A 19 4.400 -2.517 -13.048 1.00 0.00 C ATOM 302 O LYS A 19 5.208 -2.908 -13.891 1.00 0.00 O ATOM 303 CB LYS A 19 3.717 -4.439 -11.593 1.00 0.00 C ATOM 304 CG LYS A 19 2.202 -4.345 -11.644 1.00 0.00 C ATOM 305 CD LYS A 19 1.632 -5.115 -12.826 1.00 0.00 C ATOM 306 CE LYS A 19 0.372 -5.874 -12.441 1.00 0.00 C ATOM 307 NZ LYS A 19 -0.534 -6.073 -13.605 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.897 -2.467 -10.318 1.00 0.00 H new ATOM 0 HA LYS A 19 5.458 -3.210 -11.327 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.064 -5.039 -12.434 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.009 -4.965 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.781 -4.736 -10.718 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.904 -3.299 -11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.408 -4.423 -13.638 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.379 -5.815 -13.200 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.645 -6.843 -12.024 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.156 -5.328 -11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.503 -6.242 -13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.520 -5.224 -14.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.213 -6.893 -14.159 1.00 0.00 H new ATOM 321 N ALA A 20 3.472 -1.599 -13.306 1.00 0.00 N ATOM 322 CA ALA A 20 3.348 -0.986 -14.622 1.00 0.00 C ATOM 323 C ALA A 20 4.268 0.225 -14.771 1.00 0.00 C ATOM 324 O ALA A 20 4.486 0.712 -15.881 1.00 0.00 O ATOM 325 CB ALA A 20 1.903 -0.584 -14.878 1.00 0.00 C ATOM 0 H ALA A 20 2.796 -1.264 -12.620 1.00 0.00 H new ATOM 0 HA ALA A 20 3.653 -1.725 -15.363 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.822 -0.127 -15.864 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.266 -1.468 -14.834 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.584 0.131 -14.119 1.00 0.00 H new ATOM 331 N LEU A 21 4.805 0.711 -13.654 1.00 0.00 N ATOM 332 CA LEU A 21 5.695 1.867 -13.679 1.00 0.00 C ATOM 333 C LEU A 21 7.034 1.513 -14.325 1.00 0.00 C ATOM 334 O LEU A 21 7.695 2.370 -14.913 1.00 0.00 O ATOM 335 CB LEU A 21 5.916 2.405 -12.260 1.00 0.00 C ATOM 336 CG LEU A 21 6.950 1.647 -11.420 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.339 2.224 -11.640 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.578 1.695 -9.946 1.00 0.00 C ATOM 0 H LEU A 21 4.640 0.324 -12.725 1.00 0.00 H new ATOM 0 HA LEU A 21 5.221 2.644 -14.279 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.225 3.448 -12.330 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.963 2.389 -11.732 1.00 0.00 H new ATOM 0 HG LEU A 21 6.956 0.604 -11.738 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.061 1.674 -11.036 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.606 2.138 -12.693 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.347 3.274 -11.349 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.323 1.152 -9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.544 2.732 -9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.600 1.235 -9.802 1.00 0.00 H new ATOM 350 N GLY A 22 7.426 0.249 -14.213 1.00 0.00 N ATOM 351 CA GLY A 22 8.683 -0.190 -14.792 1.00 0.00 C ATOM 352 C GLY A 22 9.189 -1.480 -14.177 1.00 0.00 C ATOM 353 O GLY A 22 8.421 -2.236 -13.582 1.00 0.00 O ATOM 0 H GLY A 22 6.897 -0.479 -13.733 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.555 -0.329 -15.866 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.432 0.590 -14.659 1.00 0.00 H new ATOM 357 N GLY A 23 10.486 -1.732 -14.321 1.00 0.00 N ATOM 358 CA GLY A 23 11.072 -2.940 -13.771 1.00 0.00 C ATOM 359 C GLY A 23 12.567 -2.811 -13.552 1.00 0.00 C ATOM 360 O GLY A 23 13.355 -2.991 -14.481 1.00 0.00 O ATOM 0 H GLY A 23 11.141 -1.121 -14.809 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.588 -3.176 -12.823 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.877 -3.774 -14.445 1.00 0.00 H new ATOM 364 N GLY A 24 12.957 -2.497 -12.322 1.00 0.00 N ATOM 365 CA GLY A 24 14.366 -2.350 -12.005 1.00 0.00 C ATOM 366 C GLY A 24 14.670 -2.653 -10.552 1.00 0.00 C ATOM 367 O GLY A 24 14.063 -3.544 -9.956 1.00 0.00 O ATOM 0 H GLY A 24 12.323 -2.341 -11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.949 -3.016 -12.641 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.682 -1.332 -12.234 1.00 0.00 H new ATOM 371 N GLY A 25 15.612 -1.911 -9.979 1.00 0.00 N ATOM 372 CA GLY A 25 15.980 -2.120 -8.592 1.00 0.00 C ATOM 373 C GLY A 25 15.050 -1.410 -7.628 1.00 0.00 C ATOM 374 O GLY A 25 14.726 -1.939 -6.565 1.00 0.00 O ATOM 0 H GLY A 25 16.127 -1.168 -10.451 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.975 -3.188 -8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.999 -1.768 -8.433 1.00 0.00 H new ATOM 378 N ARG A 26 14.621 -0.207 -7.997 1.00 0.00 N ATOM 379 CA ARG A 26 13.724 0.575 -7.153 1.00 0.00 C ATOM 380 C ARG A 26 12.269 0.187 -7.384 1.00 0.00 C ATOM 381 O ARG A 26 11.443 0.298 -6.485 1.00 0.00 O ATOM 382 CB ARG A 26 13.905 2.070 -7.418 1.00 0.00 C ATOM 383 CG ARG A 26 13.881 2.433 -8.892 1.00 0.00 C ATOM 384 CD ARG A 26 13.506 3.891 -9.097 1.00 0.00 C ATOM 385 NE ARG A 26 14.599 4.793 -8.740 1.00 0.00 N ATOM 386 CZ ARG A 26 15.617 5.083 -9.548 1.00 0.00 C ATOM 387 NH1 ARG A 26 15.687 4.545 -10.759 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 16.568 5.914 -9.143 1.00 0.00 N ATOM 0 H ARG A 26 14.879 0.247 -8.873 1.00 0.00 H new ATOM 0 HA ARG A 26 13.979 0.360 -6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.116 2.620 -6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.852 2.395 -6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.860 2.242 -9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.168 1.795 -9.414 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.230 4.051 -10.139 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.629 4.128 -8.495 1.00 0.00 H new ATOM 0 HE ARG A 26 14.581 5.226 -7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.958 3.905 -11.076 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.469 4.771 -11.373 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.519 6.330 -8.213 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.348 6.137 -9.761 1.00 0.00 H new ATOM 402 N ILE A 27 11.959 -0.250 -8.599 1.00 0.00 N ATOM 403 CA ILE A 27 10.595 -0.647 -8.945 1.00 0.00 C ATOM 404 C ILE A 27 10.166 -1.917 -8.204 1.00 0.00 C ATOM 405 O ILE A 27 9.048 -2.003 -7.695 1.00 0.00 O ATOM 406 CB ILE A 27 10.419 -0.896 -10.464 1.00 0.00 C ATOM 407 CG1 ILE A 27 11.396 -0.057 -11.299 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.987 -0.605 -10.878 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.327 1.427 -11.016 1.00 0.00 C ATOM 0 H ILE A 27 12.631 -0.339 -9.361 1.00 0.00 H new ATOM 0 HA ILE A 27 9.966 0.190 -8.642 1.00 0.00 H new ATOM 0 HB ILE A 27 10.644 -1.945 -10.655 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.411 -0.406 -11.111 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.192 -0.225 -12.356 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.874 -0.783 -11.947 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.309 -1.258 -10.328 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.748 0.435 -10.656 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.047 1.951 -11.645 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.323 1.792 -11.232 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.562 1.609 -9.967 1.00 0.00 H new ATOM 421 N GLU A 28 11.053 -2.911 -8.181 1.00 0.00 N ATOM 422 CA GLU A 28 10.765 -4.196 -7.541 1.00 0.00 C ATOM 423 C GLU A 28 10.676 -4.098 -6.018 1.00 0.00 C ATOM 424 O GLU A 28 9.759 -4.641 -5.409 1.00 0.00 O ATOM 425 CB GLU A 28 11.833 -5.222 -7.927 1.00 0.00 C ATOM 426 CG GLU A 28 11.761 -5.656 -9.382 1.00 0.00 C ATOM 427 CD GLU A 28 11.227 -7.066 -9.543 1.00 0.00 C ATOM 428 OE1 GLU A 28 9.995 -7.248 -9.447 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 12.039 -7.988 -9.764 1.00 0.00 O ATOM 0 H GLU A 28 11.981 -2.851 -8.600 1.00 0.00 H new ATOM 0 HA GLU A 28 9.786 -4.514 -7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.819 -4.800 -7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.729 -6.100 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.123 -4.965 -9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.755 -5.595 -9.825 1.00 0.00 H new ATOM 436 N GLU A 29 11.643 -3.430 -5.408 1.00 0.00 N ATOM 437 CA GLU A 29 11.679 -3.290 -3.953 1.00 0.00 C ATOM 438 C GLU A 29 10.445 -2.565 -3.416 1.00 0.00 C ATOM 439 O GLU A 29 9.933 -2.896 -2.347 1.00 0.00 O ATOM 440 CB GLU A 29 12.944 -2.543 -3.527 1.00 0.00 C ATOM 441 CG GLU A 29 13.113 -1.195 -4.207 1.00 0.00 C ATOM 442 CD GLU A 29 12.820 -0.031 -3.280 1.00 0.00 C ATOM 443 OE1 GLU A 29 11.695 0.028 -2.740 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 13.713 0.820 -3.093 1.00 0.00 O ATOM 0 H GLU A 29 12.415 -2.975 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 29 11.685 -4.294 -3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.922 -2.396 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.813 -3.163 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.133 -1.107 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.450 -1.142 -5.070 1.00 0.00 H new ATOM 451 N LEU A 30 9.997 -1.558 -4.151 1.00 0.00 N ATOM 452 CA LEU A 30 8.853 -0.751 -3.753 1.00 0.00 C ATOM 453 C LEU A 30 7.586 -1.586 -3.560 1.00 0.00 C ATOM 454 O LEU A 30 6.878 -1.428 -2.567 1.00 0.00 O ATOM 455 CB LEU A 30 8.612 0.318 -4.817 1.00 0.00 C ATOM 456 CG LEU A 30 8.353 1.728 -4.288 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.629 2.317 -3.708 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.810 2.613 -5.397 1.00 0.00 C ATOM 0 H LEU A 30 10.415 -1.278 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 30 9.081 -0.294 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.479 0.350 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.760 0.015 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 30 7.608 1.674 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.429 3.322 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.980 1.689 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.394 2.363 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.630 3.615 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.535 2.665 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.875 2.195 -5.771 1.00 0.00 H new ATOM 470 N LYS A 31 7.301 -2.467 -4.512 1.00 0.00 N ATOM 471 CA LYS A 31 6.108 -3.311 -4.430 1.00 0.00 C ATOM 472 C LYS A 31 6.197 -4.298 -3.274 1.00 0.00 C ATOM 473 O LYS A 31 5.187 -4.625 -2.659 1.00 0.00 O ATOM 474 CB LYS A 31 5.831 -4.056 -5.740 1.00 0.00 C ATOM 475 CG LYS A 31 7.066 -4.378 -6.566 1.00 0.00 C ATOM 476 CD LYS A 31 6.710 -5.177 -7.808 1.00 0.00 C ATOM 477 CE LYS A 31 6.479 -4.272 -9.007 1.00 0.00 C ATOM 478 NZ LYS A 31 7.743 -3.992 -9.744 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.872 -2.617 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 31 5.271 -2.637 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.313 -4.987 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.153 -3.456 -6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.562 -3.452 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.774 -4.942 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.512 -5.880 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.813 -5.766 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.761 -4.739 -9.682 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.038 -3.333 -8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.525 -3.773 -10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.226 -3.181 -9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.362 -4.827 -9.702 1.00 0.00 H new ATOM 492 N LYS A 32 7.404 -4.776 -2.986 1.00 0.00 N ATOM 493 CA LYS A 32 7.600 -5.734 -1.903 1.00 0.00 C ATOM 494 C LYS A 32 7.072 -5.165 -0.592 1.00 0.00 C ATOM 495 O LYS A 32 6.446 -5.871 0.197 1.00 0.00 O ATOM 496 CB LYS A 32 9.083 -6.083 -1.762 1.00 0.00 C ATOM 497 CG LYS A 32 9.613 -6.952 -2.889 1.00 0.00 C ATOM 498 CD LYS A 32 11.123 -7.115 -2.805 1.00 0.00 C ATOM 499 CE LYS A 32 11.550 -8.544 -3.110 1.00 0.00 C ATOM 500 NZ LYS A 32 12.377 -9.121 -2.014 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.256 -4.518 -3.484 1.00 0.00 H new ATOM 0 HA LYS A 32 7.047 -6.642 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.663 -5.161 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.238 -6.598 -0.814 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.137 -7.932 -2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.347 -6.508 -3.848 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.603 -6.433 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.465 -6.837 -1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.666 -9.163 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.116 -8.563 -4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.648 -10.095 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.234 -8.545 -1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.828 -9.126 -1.131 1.00 0.00 H new ATOM 514 N LYS A 33 7.307 -3.876 -0.381 1.00 0.00 N ATOM 515 CA LYS A 33 6.832 -3.201 0.818 1.00 0.00 C ATOM 516 C LYS A 33 5.308 -3.166 0.827 1.00 0.00 C ATOM 517 O LYS A 33 4.676 -3.270 1.880 1.00 0.00 O ATOM 518 CB LYS A 33 7.393 -1.779 0.889 1.00 0.00 C ATOM 519 CG LYS A 33 7.382 -1.191 2.291 1.00 0.00 C ATOM 520 CD LYS A 33 6.836 0.228 2.298 1.00 0.00 C ATOM 521 CE LYS A 33 5.316 0.241 2.359 1.00 0.00 C ATOM 522 NZ LYS A 33 4.790 1.542 2.854 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.824 -3.278 -1.025 1.00 0.00 H new ATOM 0 HA LYS A 33 7.179 -3.754 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.416 -1.782 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.812 -1.135 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.776 -1.818 2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.394 -1.194 2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.240 0.770 3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.170 0.752 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.911 0.040 1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.972 -0.561 3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.995 1.845 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.463 1.434 3.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.544 2.258 2.817 1.00 0.00 H new ATOM 536 N TYR A 34 4.727 -3.017 -0.360 1.00 0.00 N ATOM 537 CA TYR A 34 3.277 -2.964 -0.513 1.00 0.00 C ATOM 538 C TYR A 34 2.614 -4.212 0.067 1.00 0.00 C ATOM 539 O TYR A 34 1.541 -4.131 0.661 1.00 0.00 O ATOM 540 CB TYR A 34 2.902 -2.802 -1.991 1.00 0.00 C ATOM 541 CG TYR A 34 2.067 -1.574 -2.267 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.823 -1.409 -1.673 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.525 -0.578 -3.119 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.060 -0.287 -1.922 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.767 0.549 -3.372 1.00 0.00 C ATOM 546 CZ TYR A 34 0.535 0.689 -2.771 1.00 0.00 C ATOM 547 OH TYR A 34 -0.222 1.812 -3.017 1.00 0.00 O ATOM 0 H TYR A 34 5.243 -2.930 -1.236 1.00 0.00 H new ATOM 0 HA TYR A 34 2.912 -2.099 0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.814 -2.754 -2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.354 -3.686 -2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.447 -2.171 -1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.490 -0.686 -3.592 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.906 -0.174 -1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.138 1.315 -4.037 1.00 0.00 H new ATOM 0 HH TYR A 34 0.329 2.612 -2.888 1.00 0.00 H new ATOM 557 N GLU A 35 3.253 -5.366 -0.106 1.00 0.00 N ATOM 558 CA GLU A 35 2.715 -6.621 0.409 1.00 0.00 C ATOM 559 C GLU A 35 2.481 -6.524 1.912 1.00 0.00 C ATOM 560 O GLU A 35 1.440 -6.941 2.420 1.00 0.00 O ATOM 561 CB GLU A 35 3.668 -7.777 0.101 1.00 0.00 C ATOM 562 CG GLU A 35 3.742 -8.129 -1.376 1.00 0.00 C ATOM 563 CD GLU A 35 3.409 -9.583 -1.648 1.00 0.00 C ATOM 564 OE1 GLU A 35 2.362 -10.054 -1.157 1.00 0.00 O1- ATOM 565 OE2 GLU A 35 4.196 -10.250 -2.353 1.00 0.00 O ATOM 0 H GLU A 35 4.142 -5.458 -0.598 1.00 0.00 H new ATOM 0 HA GLU A 35 1.761 -6.812 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.666 -7.518 0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.350 -8.657 0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.054 -7.493 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.744 -7.914 -1.747 1.00 0.00 H new ATOM 572 N GLU A 36 3.456 -5.958 2.617 1.00 0.00 N ATOM 573 CA GLU A 36 3.363 -5.787 4.060 1.00 0.00 C ATOM 574 C GLU A 36 2.137 -4.956 4.422 1.00 0.00 C ATOM 575 O GLU A 36 1.476 -5.210 5.427 1.00 0.00 O ATOM 576 CB GLU A 36 4.628 -5.116 4.597 1.00 0.00 C ATOM 577 CG GLU A 36 5.065 -5.642 5.954 1.00 0.00 C ATOM 578 CD GLU A 36 5.477 -7.101 5.909 1.00 0.00 C ATOM 579 OE1 GLU A 36 4.589 -7.972 6.022 1.00 0.00 O ATOM 580 OE2 GLU A 36 6.686 -7.373 5.759 1.00 0.00 O1- ATOM 0 H GLU A 36 4.323 -5.609 2.208 1.00 0.00 H new ATOM 0 HA GLU A 36 3.264 -6.771 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.438 -5.261 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.457 -4.042 4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.900 -5.044 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.249 -5.520 6.667 1.00 0.00 H new ATOM 587 N LEU A 37 1.849 -3.958 3.594 1.00 0.00 N ATOM 588 CA LEU A 37 0.710 -3.072 3.814 1.00 0.00 C ATOM 589 C LEU A 37 -0.601 -3.856 3.855 1.00 0.00 C ATOM 590 O LEU A 37 -1.501 -3.539 4.634 1.00 0.00 O ATOM 591 CB LEU A 37 0.650 -2.022 2.698 1.00 0.00 C ATOM 592 CG LEU A 37 1.079 -0.608 3.097 1.00 0.00 C ATOM 593 CD1 LEU A 37 0.751 0.378 1.986 1.00 0.00 C ATOM 594 CD2 LEU A 37 0.412 -0.189 4.400 1.00 0.00 C ATOM 0 H LEU A 37 2.392 -3.741 2.759 1.00 0.00 H new ATOM 0 HA LEU A 37 0.842 -2.580 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.282 -2.356 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.371 -1.979 2.318 1.00 0.00 H new ATOM 0 HG LEU A 37 2.158 -0.607 3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.062 1.379 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.279 0.090 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.323 0.372 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.731 0.819 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.671 -0.206 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.697 -0.880 5.193 1.00 0.00 H new ATOM 606 N LYS A 38 -0.704 -4.871 3.006 1.00 0.00 N ATOM 607 CA LYS A 38 -1.906 -5.696 2.933 1.00 0.00 C ATOM 608 C LYS A 38 -2.127 -6.475 4.227 1.00 0.00 C ATOM 609 O LYS A 38 -3.258 -6.625 4.683 1.00 0.00 O ATOM 610 CB LYS A 38 -1.811 -6.668 1.756 1.00 0.00 C ATOM 611 CG LYS A 38 -1.487 -5.992 0.433 1.00 0.00 C ATOM 612 CD LYS A 38 -1.503 -6.984 -0.718 1.00 0.00 C ATOM 613 CE LYS A 38 -0.363 -7.983 -0.612 1.00 0.00 C ATOM 614 NZ LYS A 38 -0.822 -9.380 -0.848 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.033 -5.144 2.356 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.756 -5.030 2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.045 -7.412 1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.756 -7.202 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.210 -5.199 0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.506 -5.521 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.454 -7.516 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.430 -6.446 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.411 -7.728 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.090 -7.912 0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.004 -10.001 -0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.382 -9.703 -0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.408 -9.412 -1.707 1.00 0.00 H new ATOM 628 N LYS A 39 -1.042 -6.981 4.800 1.00 0.00 N ATOM 629 CA LYS A 39 -1.105 -7.762 6.033 1.00 0.00 C ATOM 630 C LYS A 39 -1.667 -6.949 7.200 1.00 0.00 C ATOM 631 O LYS A 39 -2.392 -7.479 8.037 1.00 0.00 O ATOM 632 CB LYS A 39 0.284 -8.290 6.393 1.00 0.00 C ATOM 633 CG LYS A 39 0.957 -9.054 5.265 1.00 0.00 C ATOM 634 CD LYS A 39 2.181 -9.809 5.758 1.00 0.00 C ATOM 635 CE LYS A 39 3.093 -10.205 4.607 1.00 0.00 C ATOM 636 NZ LYS A 39 3.729 -11.532 4.835 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.099 -6.864 4.428 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.782 -8.597 5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.918 -7.452 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.201 -8.942 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.248 -9.755 4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.249 -8.360 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.733 -9.188 6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.866 -10.702 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.519 -10.232 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.867 -9.448 4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.343 -11.766 4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.298 -11.499 5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.991 -12.259 4.931 1.00 0.00 H new ATOM 650 N LYS A 40 -1.310 -5.670 7.261 1.00 0.00 N ATOM 651 CA LYS A 40 -1.763 -4.793 8.339 1.00 0.00 C ATOM 652 C LYS A 40 -3.284 -4.674 8.367 1.00 0.00 C ATOM 653 O LYS A 40 -3.892 -4.595 9.435 1.00 0.00 O ATOM 654 CB LYS A 40 -1.136 -3.406 8.186 1.00 0.00 C ATOM 655 CG LYS A 40 -0.712 -2.781 9.506 1.00 0.00 C ATOM 656 CD LYS A 40 0.364 -1.726 9.303 1.00 0.00 C ATOM 657 CE LYS A 40 1.742 -2.353 9.169 1.00 0.00 C ATOM 658 NZ LYS A 40 2.620 -1.576 8.250 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.707 -5.215 6.575 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.444 -5.236 9.282 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.267 -3.479 7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.850 -2.746 7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.578 -2.330 9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.340 -3.557 10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.140 -1.144 8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.359 -1.033 10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.210 -2.415 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.642 -3.373 8.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.550 -2.037 8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.187 -1.538 7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.737 -0.610 8.616 1.00 0.00 H new ATOM 672 N ILE A 41 -3.892 -4.659 7.188 1.00 0.00 N ATOM 673 CA ILE A 41 -5.340 -4.548 7.069 1.00 0.00 C ATOM 674 C ILE A 41 -6.022 -5.833 7.522 1.00 0.00 C ATOM 675 O ILE A 41 -7.106 -5.806 8.105 1.00 0.00 O ATOM 676 CB ILE A 41 -5.753 -4.232 5.618 1.00 0.00 C ATOM 677 CG1 ILE A 41 -5.014 -2.990 5.117 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.259 -4.034 5.519 1.00 0.00 C ATOM 679 CD1 ILE A 41 -5.240 -2.704 3.649 1.00 0.00 C ATOM 0 H ILE A 41 -3.402 -4.723 6.296 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.659 -3.729 7.714 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.479 -5.078 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.334 -2.127 5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.946 -3.116 5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.530 -3.812 4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.767 -4.943 5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.560 -3.205 6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.686 -1.810 3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.894 -3.550 3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.303 -2.545 3.469 1.00 0.00 H new ATOM 691 N GLU A 42 -5.369 -6.954 7.250 1.00 0.00 N ATOM 692 CA GLU A 42 -5.886 -8.261 7.625 1.00 0.00 C ATOM 693 C GLU A 42 -6.034 -8.367 9.139 1.00 0.00 C ATOM 694 O GLU A 42 -6.941 -9.030 9.641 1.00 0.00 O ATOM 695 CB GLU A 42 -4.957 -9.362 7.105 1.00 0.00 C ATOM 696 CG GLU A 42 -5.474 -10.054 5.854 1.00 0.00 C ATOM 697 CD GLU A 42 -5.982 -11.456 6.131 1.00 0.00 C ATOM 698 OE1 GLU A 42 -6.638 -11.655 7.175 1.00 0.00 O ATOM 699 OE2 GLU A 42 -5.726 -12.354 5.301 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.472 -6.983 6.766 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.871 -8.386 7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.979 -8.930 6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.814 -10.106 7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.278 -9.459 5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.676 -10.100 5.113 1.00 0.00 H new ATOM 706 N GLU A 43 -5.130 -7.710 9.858 1.00 0.00 N ATOM 707 CA GLU A 43 -5.151 -7.731 11.317 1.00 0.00 C ATOM 708 C GLU A 43 -6.228 -6.799 11.863 1.00 0.00 C ATOM 709 O GLU A 43 -6.788 -7.042 12.932 1.00 0.00 O ATOM 710 CB GLU A 43 -3.783 -7.329 11.873 1.00 0.00 C ATOM 711 CG GLU A 43 -2.792 -8.479 11.944 1.00 0.00 C ATOM 712 CD GLU A 43 -3.031 -9.382 13.139 1.00 0.00 C ATOM 713 OE1 GLU A 43 -4.050 -10.105 13.143 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -2.200 -9.366 14.070 1.00 0.00 O ATOM 0 H GLU A 43 -4.374 -7.157 9.455 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.382 -8.747 11.636 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.365 -6.539 11.250 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.914 -6.912 12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.858 -9.068 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.779 -8.079 11.993 1.00 0.00 H new ATOM 721 N LEU A 44 -6.513 -5.732 11.123 1.00 0.00 N ATOM 722 CA LEU A 44 -7.523 -4.765 11.535 1.00 0.00 C ATOM 723 C LEU A 44 -8.885 -5.435 11.698 1.00 0.00 C ATOM 724 O LEU A 44 -9.494 -5.872 10.723 1.00 0.00 O ATOM 725 CB LEU A 44 -7.615 -3.627 10.516 1.00 0.00 C ATOM 726 CG LEU A 44 -6.926 -2.328 10.935 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.661 -1.449 9.722 1.00 0.00 C ATOM 728 CD2 LEU A 44 -7.769 -1.587 11.962 1.00 0.00 C ATOM 0 H LEU A 44 -6.059 -5.516 10.236 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.226 -4.354 12.500 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.179 -3.965 9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.667 -3.417 10.322 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.968 -2.576 11.392 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.170 -0.529 10.040 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.017 -1.980 9.021 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.606 -1.207 9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.264 -0.665 12.250 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.742 -1.349 11.531 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.906 -2.215 12.842 1.00 0.00 H new ATOM 740 N GLY A 45 -9.354 -5.517 12.940 1.00 0.00 N ATOM 741 CA GLY A 45 -10.638 -6.138 13.209 1.00 0.00 C ATOM 742 C GLY A 45 -11.697 -5.133 13.616 1.00 0.00 C ATOM 743 O GLY A 45 -12.700 -4.962 12.923 1.00 0.00 O ATOM 0 H GLY A 45 -8.868 -5.164 13.764 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.972 -6.673 12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.521 -6.878 14.001 1.00 0.00 H new ATOM 747 N GLY A 46 -11.477 -4.466 14.746 1.00 0.00 N ATOM 748 CA GLY A 46 -12.430 -3.483 15.225 1.00 0.00 C ATOM 749 C GLY A 46 -12.058 -2.068 14.827 1.00 0.00 C ATOM 750 O GLY A 46 -12.310 -1.121 15.571 1.00 0.00 O ATOM 0 H GLY A 46 -10.655 -4.590 15.338 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.419 -3.719 14.832 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.496 -3.546 16.311 1.00 0.00 H new ATOM 754 N GLY A 47 -11.459 -1.926 13.650 1.00 0.00 N ATOM 755 CA GLY A 47 -11.063 -0.614 13.173 1.00 0.00 C ATOM 756 C GLY A 47 -10.100 0.082 14.115 1.00 0.00 C ATOM 757 O GLY A 47 -9.439 -0.564 14.927 1.00 0.00 O ATOM 0 H GLY A 47 -11.241 -2.696 13.018 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.598 -0.713 12.192 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.951 0.005 13.044 1.00 0.00 H new ATOM 761 N GLY A 48 -10.023 1.404 14.006 1.00 0.00 N ATOM 762 CA GLY A 48 -9.132 2.168 14.859 1.00 0.00 C ATOM 763 C GLY A 48 -7.799 2.452 14.195 1.00 0.00 C ATOM 764 O GLY A 48 -7.247 3.543 14.335 1.00 0.00 O ATOM 0 H GLY A 48 -10.562 1.960 13.342 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.609 3.110 15.127 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.964 1.621 15.787 1.00 0.00 H new ATOM 768 N GLU A 49 -7.281 1.466 13.470 1.00 0.00 N ATOM 769 CA GLU A 49 -6.004 1.613 12.780 1.00 0.00 C ATOM 770 C GLU A 49 -6.198 1.728 11.268 1.00 0.00 C ATOM 771 O GLU A 49 -5.240 1.957 10.530 1.00 0.00 O ATOM 772 CB GLU A 49 -5.093 0.424 13.098 1.00 0.00 C ATOM 773 CG GLU A 49 -3.723 0.518 12.447 1.00 0.00 C ATOM 774 CD GLU A 49 -2.727 -0.459 13.042 1.00 0.00 C ATOM 775 OE1 GLU A 49 -2.053 -0.094 14.027 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -2.623 -1.590 12.522 1.00 0.00 O ATOM 0 H GLU A 49 -7.726 0.557 13.345 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.537 2.532 13.134 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.969 0.351 14.178 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.580 -0.494 12.770 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.819 0.328 11.378 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.341 1.533 12.557 1.00 0.00 H new ATOM 783 N VAL A 50 -7.439 1.568 10.808 1.00 0.00 N ATOM 784 CA VAL A 50 -7.741 1.654 9.383 1.00 0.00 C ATOM 785 C VAL A 50 -7.288 2.991 8.805 1.00 0.00 C ATOM 786 O VAL A 50 -6.832 3.061 7.664 1.00 0.00 O ATOM 787 CB VAL A 50 -9.246 1.471 9.112 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.654 0.022 9.330 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.067 2.402 9.992 1.00 0.00 C ATOM 0 H VAL A 50 -8.247 1.379 11.401 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.194 0.847 8.896 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.442 1.728 8.071 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.720 -0.089 9.134 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.092 -0.620 8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.443 -0.264 10.360 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.127 2.257 9.785 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.868 2.181 11.041 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.794 3.436 9.781 1.00 0.00 H new ATOM 799 N LYS A 51 -7.414 4.049 9.599 1.00 0.00 N ATOM 800 CA LYS A 51 -7.013 5.382 9.164 1.00 0.00 C ATOM 801 C LYS A 51 -5.496 5.472 9.030 1.00 0.00 C ATOM 802 O LYS A 51 -4.979 6.059 8.078 1.00 0.00 O ATOM 803 CB LYS A 51 -7.512 6.437 10.152 1.00 0.00 C ATOM 804 CG LYS A 51 -8.961 6.843 9.931 1.00 0.00 C ATOM 805 CD LYS A 51 -9.919 5.742 10.356 1.00 0.00 C ATOM 806 CE LYS A 51 -11.118 6.303 11.103 1.00 0.00 C ATOM 807 NZ LYS A 51 -12.333 6.360 10.243 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.790 4.009 10.546 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.461 5.570 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.402 6.053 11.166 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.880 7.322 10.075 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.176 7.751 10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.118 7.077 8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.260 5.196 9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.395 5.028 10.991 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.322 5.686 11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.883 7.304 11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.172 6.128 10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.435 7.317 9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.241 5.674 9.466 1.00 0.00 H new ATOM 821 N LYS A 52 -4.789 4.887 9.991 1.00 0.00 N ATOM 822 CA LYS A 52 -3.331 4.896 9.987 1.00 0.00 C ATOM 823 C LYS A 52 -2.781 4.129 8.788 1.00 0.00 C ATOM 824 O LYS A 52 -1.737 4.480 8.243 1.00 0.00 O ATOM 825 CB LYS A 52 -2.794 4.289 11.287 1.00 0.00 C ATOM 826 CG LYS A 52 -2.223 5.319 12.249 1.00 0.00 C ATOM 827 CD LYS A 52 -0.999 4.784 12.976 1.00 0.00 C ATOM 828 CE LYS A 52 0.101 5.830 13.061 1.00 0.00 C ATOM 829 NZ LYS A 52 1.387 5.245 13.532 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.204 4.399 10.785 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.000 5.932 9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.598 3.746 11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.020 3.561 11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.956 6.222 11.700 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.985 5.601 12.976 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.281 4.468 13.981 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.624 3.901 12.458 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.246 6.285 12.081 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.206 6.626 13.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.112 5.990 13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.255 4.833 14.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.694 4.503 12.871 1.00 0.00 H new ATOM 843 N VAL A 53 -3.489 3.077 8.389 1.00 0.00 N ATOM 844 CA VAL A 53 -3.074 2.252 7.259 1.00 0.00 C ATOM 845 C VAL A 53 -3.127 3.029 5.946 1.00 0.00 C ATOM 846 O VAL A 53 -2.264 2.864 5.089 1.00 0.00 O ATOM 847 CB VAL A 53 -3.956 0.992 7.134 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.495 0.118 5.975 1.00 0.00 C ATOM 849 CG2 VAL A 53 -3.952 0.208 8.439 1.00 0.00 C ATOM 0 H VAL A 53 -4.356 2.775 8.833 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.043 1.954 7.452 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.978 1.309 6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.133 -0.764 5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.559 0.683 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.463 -0.192 6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.579 -0.677 8.333 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.933 -0.095 8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.342 0.835 9.241 1.00 0.00 H new ATOM 859 N GLU A 54 -4.149 3.864 5.788 1.00 0.00 N ATOM 860 CA GLU A 54 -4.309 4.653 4.569 1.00 0.00 C ATOM 861 C GLU A 54 -3.115 5.580 4.348 1.00 0.00 C ATOM 862 O GLU A 54 -2.701 5.815 3.213 1.00 0.00 O ATOM 863 CB GLU A 54 -5.599 5.472 4.633 1.00 0.00 C ATOM 864 CG GLU A 54 -6.854 4.624 4.764 1.00 0.00 C ATOM 865 CD GLU A 54 -8.100 5.458 4.989 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.088 6.311 5.900 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.088 5.258 4.250 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.878 4.012 6.486 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.364 3.961 3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.543 6.156 5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.676 6.083 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.980 4.026 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.733 3.928 5.594 1.00 0.00 H new ATOM 874 N GLU A 55 -2.571 6.105 5.439 1.00 0.00 N ATOM 875 CA GLU A 55 -1.425 7.008 5.371 1.00 0.00 C ATOM 876 C GLU A 55 -0.162 6.264 4.948 1.00 0.00 C ATOM 877 O GLU A 55 0.682 6.802 4.234 1.00 0.00 O ATOM 878 CB GLU A 55 -1.202 7.684 6.725 1.00 0.00 C ATOM 879 CG GLU A 55 -0.204 8.831 6.676 1.00 0.00 C ATOM 880 CD GLU A 55 -0.492 9.897 7.714 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.658 10.007 8.147 1.00 0.00 O ATOM 882 OE2 GLU A 55 0.451 10.623 8.096 1.00 0.00 O1- ATOM 0 H GLU A 55 -2.905 5.921 6.385 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.642 7.769 4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.156 8.059 7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.852 6.939 7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.802 8.440 6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.221 9.281 5.683 1.00 0.00 H new ATOM 889 N GLU A 56 -0.035 5.029 5.412 1.00 0.00 N ATOM 890 CA GLU A 56 1.125 4.200 5.111 1.00 0.00 C ATOM 891 C GLU A 56 1.303 3.997 3.607 1.00 0.00 C ATOM 892 O GLU A 56 2.410 4.114 3.082 1.00 0.00 O ATOM 893 CB GLU A 56 0.969 2.845 5.803 1.00 0.00 C ATOM 894 CG GLU A 56 1.820 2.696 7.049 1.00 0.00 C ATOM 895 CD GLU A 56 3.306 2.680 6.744 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.710 1.984 5.789 1.00 0.00 O1- ATOM 897 OE2 GLU A 56 4.066 3.364 7.462 1.00 0.00 O ATOM 0 H GLU A 56 -0.729 4.574 6.005 1.00 0.00 H new ATOM 0 HA GLU A 56 2.014 4.712 5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.078 2.701 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.230 2.055 5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.602 3.516 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.548 1.773 7.561 1.00 0.00 H new ATOM 904 N VAL A 57 0.211 3.681 2.923 1.00 0.00 N ATOM 905 CA VAL A 57 0.248 3.446 1.485 1.00 0.00 C ATOM 906 C VAL A 57 0.549 4.728 0.708 1.00 0.00 C ATOM 907 O VAL A 57 1.227 4.692 -0.318 1.00 0.00 O ATOM 908 CB VAL A 57 -1.072 2.825 0.976 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.145 3.887 0.766 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.826 2.045 -0.305 1.00 0.00 C ATOM 0 H VAL A 57 -0.714 3.581 3.342 1.00 0.00 H new ATOM 0 HA VAL A 57 1.057 2.738 1.308 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.438 2.139 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.060 3.414 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.344 4.394 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.799 4.613 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.764 1.612 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.430 2.715 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.108 1.248 -0.113 1.00 0.00 H new ATOM 920 N LYS A 58 0.038 5.855 1.195 1.00 0.00 N ATOM 921 CA LYS A 58 0.252 7.139 0.532 1.00 0.00 C ATOM 922 C LYS A 58 1.743 7.408 0.334 1.00 0.00 C ATOM 923 O LYS A 58 2.146 8.023 -0.650 1.00 0.00 O ATOM 924 CB LYS A 58 -0.406 8.274 1.332 1.00 0.00 C ATOM 925 CG LYS A 58 0.466 8.860 2.436 1.00 0.00 C ATOM 926 CD LYS A 58 1.068 10.194 2.023 1.00 0.00 C ATOM 927 CE LYS A 58 -0.006 11.250 1.809 1.00 0.00 C ATOM 928 NZ LYS A 58 0.159 12.405 2.735 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.526 5.906 2.044 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.215 7.097 -0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.683 9.072 0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.329 7.901 1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.129 8.993 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.265 8.160 2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.765 10.533 2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.642 10.066 1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.032 11.603 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.989 10.803 1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.592 13.102 2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.098 12.073 3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.087 12.847 2.576 1.00 0.00 H new ATOM 942 N LYS A 59 2.553 6.944 1.276 1.00 0.00 N ATOM 943 CA LYS A 59 3.997 7.126 1.205 1.00 0.00 C ATOM 944 C LYS A 59 4.607 6.308 0.065 1.00 0.00 C ATOM 945 O LYS A 59 5.547 6.748 -0.594 1.00 0.00 O ATOM 946 CB LYS A 59 4.646 6.732 2.534 1.00 0.00 C ATOM 947 CG LYS A 59 3.901 7.253 3.752 1.00 0.00 C ATOM 948 CD LYS A 59 4.694 7.024 5.030 1.00 0.00 C ATOM 949 CE LYS A 59 5.653 8.172 5.304 1.00 0.00 C ATOM 950 NZ LYS A 59 5.472 8.732 6.672 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.233 6.437 2.101 1.00 0.00 H new ATOM 0 HA LYS A 59 4.190 8.180 1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.705 5.645 2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.669 7.109 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.703 8.318 3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.934 6.756 3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.008 6.913 5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.254 6.092 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.679 7.824 5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.498 8.959 4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.144 9.512 6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.500 9.088 6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.645 7.988 7.377 1.00 0.00 H new ATOM 964 N LEU A 60 4.076 5.104 -0.141 1.00 0.00 N ATOM 965 CA LEU A 60 4.575 4.200 -1.178 1.00 0.00 C ATOM 966 C LEU A 60 4.482 4.811 -2.577 1.00 0.00 C ATOM 967 O LEU A 60 5.428 4.728 -3.359 1.00 0.00 O ATOM 968 CB LEU A 60 3.792 2.886 -1.136 1.00 0.00 C ATOM 969 CG LEU A 60 4.605 1.624 -1.436 1.00 0.00 C ATOM 970 CD1 LEU A 60 4.987 1.570 -2.907 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.845 1.564 -0.557 1.00 0.00 C ATOM 0 H LEU A 60 3.296 4.730 0.399 1.00 0.00 H new ATOM 0 HA LEU A 60 5.630 4.017 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.344 2.782 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.973 2.948 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 60 3.985 0.756 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.564 0.666 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.084 1.561 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.587 2.444 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.409 0.660 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.468 2.438 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.547 1.551 0.492 1.00 0.00 H new ATOM 983 N GLU A 61 3.343 5.417 -2.891 1.00 0.00 N ATOM 984 CA GLU A 61 3.143 6.030 -4.202 1.00 0.00 C ATOM 985 C GLU A 61 4.018 7.269 -4.369 1.00 0.00 C ATOM 986 O GLU A 61 4.480 7.569 -5.468 1.00 0.00 O ATOM 987 CB GLU A 61 1.669 6.389 -4.416 1.00 0.00 C ATOM 988 CG GLU A 61 1.072 7.228 -3.299 1.00 0.00 C ATOM 989 CD GLU A 61 1.063 8.709 -3.623 1.00 0.00 C ATOM 990 OE1 GLU A 61 2.111 9.229 -4.061 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 0.007 9.350 -3.436 1.00 0.00 O ATOM 0 H GLU A 61 2.546 5.498 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 61 3.436 5.300 -4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.570 6.931 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.092 5.470 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.052 6.896 -3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.640 7.064 -2.383 1.00 0.00 H new ATOM 998 N GLU A 62 4.236 7.985 -3.271 1.00 0.00 N ATOM 999 CA GLU A 62 5.052 9.194 -3.288 1.00 0.00 C ATOM 1000 C GLU A 62 6.451 8.901 -3.814 1.00 0.00 C ATOM 1001 O GLU A 62 7.036 9.706 -4.538 1.00 0.00 O ATOM 1002 CB GLU A 62 5.138 9.795 -1.882 1.00 0.00 C ATOM 1003 CG GLU A 62 3.867 10.506 -1.445 1.00 0.00 C ATOM 1004 CD GLU A 62 4.138 11.877 -0.857 1.00 0.00 C ATOM 1005 OE1 GLU A 62 5.175 12.038 -0.178 1.00 0.00 O ATOM 1006 OE2 GLU A 62 3.314 12.789 -1.074 1.00 0.00 O1- ATOM 0 H GLU A 62 3.857 7.748 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 62 4.577 9.913 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.363 9.001 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.969 10.500 -1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.199 10.607 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.348 9.894 -0.707 1.00 0.00 H new ATOM 1013 N GLU A 63 6.976 7.737 -3.453 1.00 0.00 N ATOM 1014 CA GLU A 63 8.303 7.328 -3.897 1.00 0.00 C ATOM 1015 C GLU A 63 8.293 7.066 -5.395 1.00 0.00 C ATOM 1016 O GLU A 63 9.284 7.295 -6.087 1.00 0.00 O ATOM 1017 CB GLU A 63 8.755 6.070 -3.152 1.00 0.00 C ATOM 1018 CG GLU A 63 8.478 6.109 -1.659 1.00 0.00 C ATOM 1019 CD GLU A 63 9.680 6.559 -0.853 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.813 6.178 -1.215 1.00 0.00 O ATOM 1021 OE2 GLU A 63 9.489 7.291 0.141 1.00 0.00 O1- ATOM 0 H GLU A 63 6.504 7.060 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 63 9.004 8.133 -3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.253 5.204 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.824 5.930 -3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.643 6.783 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.172 5.118 -1.324 1.00 0.00 H new ATOM 1028 N ILE A 64 7.158 6.582 -5.886 1.00 0.00 N ATOM 1029 CA ILE A 64 7.004 6.284 -7.306 1.00 0.00 C ATOM 1030 C ILE A 64 7.148 7.546 -8.154 1.00 0.00 C ATOM 1031 O ILE A 64 7.637 7.495 -9.283 1.00 0.00 O ATOM 1032 CB ILE A 64 5.636 5.632 -7.600 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.421 4.415 -6.698 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.540 5.232 -9.066 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.054 3.785 -6.852 1.00 0.00 C ATOM 0 H ILE A 64 6.331 6.387 -5.322 1.00 0.00 H new ATOM 0 HA ILE A 64 7.796 5.582 -7.568 1.00 0.00 H new ATOM 0 HB ILE A 64 4.853 6.361 -7.390 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.184 3.669 -6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.560 4.713 -5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.569 4.774 -9.255 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.652 6.117 -9.693 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.330 4.518 -9.301 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.971 2.928 -6.183 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.286 4.517 -6.602 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.919 3.456 -7.882 1.00 0.00 H new ATOM 1047 N LYS A 65 6.719 8.678 -7.606 1.00 0.00 N ATOM 1048 CA LYS A 65 6.803 9.947 -8.316 1.00 0.00 C ATOM 1049 C LYS A 65 8.258 10.342 -8.546 1.00 0.00 C ATOM 1050 O LYS A 65 8.599 10.926 -9.574 1.00 0.00 O ATOM 1051 CB LYS A 65 6.080 11.043 -7.531 1.00 0.00 C ATOM 1052 CG LYS A 65 4.567 10.987 -7.664 1.00 0.00 C ATOM 1053 CD LYS A 65 3.876 11.531 -6.424 1.00 0.00 C ATOM 1054 CE LYS A 65 4.257 12.978 -6.161 1.00 0.00 C ATOM 1055 NZ LYS A 65 3.502 13.920 -7.032 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.310 8.742 -6.674 1.00 0.00 H new ATOM 0 HA LYS A 65 6.320 9.828 -9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.347 10.961 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.431 12.016 -7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.256 11.562 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.254 9.957 -7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.796 11.455 -6.546 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.143 10.921 -5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.066 13.219 -5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.326 13.108 -6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.792 14.896 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.703 13.707 -8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.483 13.815 -6.855 1.00 0.00 H new ATOM 1069 N LYS A 66 9.112 10.011 -7.583 1.00 0.00 N ATOM 1070 CA LYS A 66 10.532 10.324 -7.681 1.00 0.00 C ATOM 1071 C LYS A 66 11.217 9.425 -8.706 1.00 0.00 C ATOM 1072 O LYS A 66 12.254 9.783 -9.266 1.00 0.00 O ATOM 1073 CB LYS A 66 11.207 10.164 -6.317 1.00 0.00 C ATOM 1074 CG LYS A 66 10.847 11.262 -5.327 1.00 0.00 C ATOM 1075 CD LYS A 66 12.046 12.141 -5.005 1.00 0.00 C ATOM 1076 CE LYS A 66 12.071 12.533 -3.536 1.00 0.00 C ATOM 1077 NZ LYS A 66 12.562 13.925 -3.341 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.845 9.526 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 66 10.628 11.359 -8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.928 9.199 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.288 10.151 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.046 11.875 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.466 10.814 -4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.965 11.612 -5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.016 13.039 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.069 12.440 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.711 11.842 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.564 14.154 -2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.528 14.008 -3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 11.937 14.587 -3.844 1.00 0.00 H new ATOM 1091 N LEU A 67 10.632 8.255 -8.949 1.00 0.00 N ATOM 1092 CA LEU A 67 11.188 7.307 -9.905 1.00 0.00 C ATOM 1093 C LEU A 67 10.411 7.337 -11.217 1.00 0.00 C ATOM 1094 O LEU A 67 9.304 7.915 -11.235 1.00 0.00 O ATOM 1095 CB LEU A 67 11.175 5.893 -9.321 1.00 0.00 C ATOM 1096 CG LEU A 67 9.791 5.323 -9.021 1.00 0.00 C ATOM 1097 CD1 LEU A 67 9.152 4.764 -10.281 1.00 0.00 C ATOM 1098 CD2 LEU A 67 9.880 4.251 -7.947 1.00 0.00 C ATOM 1099 OXT LEU A 67 10.916 6.784 -12.217 1.00 0.00 O ATOM 0 H LEU A 67 9.773 7.942 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 67 12.219 7.598 -10.109 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.681 5.225 -10.018 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.757 5.893 -8.400 1.00 0.00 H new ATOM 0 HG LEU A 67 9.161 6.132 -8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.167 4.363 -10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.051 5.558 -11.021 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.779 3.969 -10.685 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.885 3.855 -7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.528 3.445 -8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.291 4.683 -7.035 1.00 0.00 H new TER 1111 LEU A 67