USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=4 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+ -138:sc= 0.0666 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= 1.1 (180deg=0.958) 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+ -152:sc= 1.03 (180deg=0.471) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.940 -12.400 -7.709 1.00 0.00 N ATOM 2 CA GLY A 1 -6.058 -11.510 -7.450 1.00 0.00 C ATOM 3 C GLY A 1 -6.646 -11.758 -6.060 1.00 0.00 C ATOM 4 O GLY A 1 -5.986 -12.333 -5.196 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.176 -11.871 -8.177 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.591 -12.790 -6.810 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.251 -13.178 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.729 -10.474 -7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.829 -11.659 -8.206 1.00 0.00 H new ATOM 8 N SER A 2 -7.881 -11.312 -5.886 1.00 0.00 N ATOM 9 CA SER A 2 -8.566 -11.478 -4.615 1.00 0.00 C ATOM 10 C SER A 2 -7.949 -10.552 -3.564 1.00 0.00 C ATOM 11 O SER A 2 -8.629 -9.683 -3.022 1.00 0.00 O ATOM 12 CB SER A 2 -8.505 -12.932 -4.143 1.00 0.00 C ATOM 13 OG SER A 2 -8.746 -13.849 -5.207 1.00 0.00 O ATOM 0 H SER A 2 -8.426 -10.835 -6.605 1.00 0.00 H new ATOM 0 HA SER A 2 -9.614 -11.213 -4.753 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.526 -13.131 -3.708 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.242 -13.089 -3.355 1.00 0.00 H new ATOM 0 HG SER A 2 -8.697 -14.766 -4.866 1.00 0.00 H new ATOM 19 N ARG A 3 -6.667 -10.772 -3.308 1.00 0.00 N ATOM 20 CA ARG A 3 -5.952 -9.969 -2.331 1.00 0.00 C ATOM 21 C ARG A 3 -5.162 -8.861 -3.031 1.00 0.00 C ATOM 22 O ARG A 3 -5.406 -7.678 -2.800 1.00 0.00 O ATOM 23 CB ARG A 3 -4.990 -10.830 -1.509 1.00 0.00 C ATOM 24 CG ARG A 3 -5.519 -11.035 -0.087 1.00 0.00 C ATOM 25 CD ARG A 3 -6.208 -12.394 0.051 1.00 0.00 C ATOM 26 NE ARG A 3 -7.594 -12.212 0.537 1.00 0.00 N ATOM 27 CZ ARG A 3 -8.443 -13.219 0.782 1.00 0.00 C ATOM 28 NH1 ARG A 3 -8.054 -14.486 0.586 1.00 0.00 N ATOM 29 NH2 ARG A 3 -9.682 -12.959 1.221 1.00 0.00 N ATOM 0 H ARG A 3 -6.106 -11.494 -3.760 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.689 -9.527 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.856 -11.797 -1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.010 -10.353 -1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.696 -10.967 0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.222 -10.240 0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.216 -12.906 -0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.651 -13.025 0.744 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.924 -11.260 0.695 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.111 -14.684 0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.700 -15.253 0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.979 -11.994 1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.328 -13.726 1.407 1.00 0.00 H new ATOM 43 N VAL A 4 -4.231 -9.284 -3.875 1.00 0.00 N ATOM 44 CA VAL A 4 -3.404 -8.343 -4.610 1.00 0.00 C ATOM 45 C VAL A 4 -4.301 -7.413 -5.428 1.00 0.00 C ATOM 46 O VAL A 4 -4.171 -6.192 -5.349 1.00 0.00 O ATOM 47 CB VAL A 4 -2.387 -9.100 -5.467 1.00 0.00 C ATOM 48 CG1 VAL A 4 -1.545 -8.131 -6.301 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.498 -9.994 -4.603 1.00 0.00 C ATOM 0 H VAL A 4 -4.032 -10.266 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.831 -7.720 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.939 -9.742 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.830 -8.694 -6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.197 -7.556 -6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.008 -7.453 -5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.785 -10.520 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.958 -9.381 -3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.116 -10.719 -4.074 1.00 0.00 H new ATOM 59 N LYS A 5 -5.192 -8.025 -6.194 1.00 0.00 N ATOM 60 CA LYS A 5 -6.112 -7.266 -7.025 1.00 0.00 C ATOM 61 C LYS A 5 -6.856 -6.250 -6.157 1.00 0.00 C ATOM 62 O LYS A 5 -6.845 -5.055 -6.448 1.00 0.00 O ATOM 63 CB LYS A 5 -7.035 -8.208 -7.799 1.00 0.00 C ATOM 64 CG LYS A 5 -8.106 -7.423 -8.560 1.00 0.00 C ATOM 65 CD LYS A 5 -7.768 -7.339 -10.050 1.00 0.00 C ATOM 66 CE LYS A 5 -8.402 -6.099 -10.686 1.00 0.00 C ATOM 67 NZ LYS A 5 -8.263 -6.144 -12.159 1.00 0.00 N ATOM 0 H LYS A 5 -5.297 -9.038 -6.257 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.566 -6.701 -7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.449 -8.803 -8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.511 -8.905 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.076 -7.903 -8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.190 -6.419 -8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.686 -7.306 -10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.123 -8.235 -10.559 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.456 -6.043 -10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.925 -5.199 -10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.698 -5.296 -12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.255 -6.175 -12.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.738 -6.993 -12.527 1.00 0.00 H new ATOM 81 N ALA A 6 -7.487 -6.763 -5.111 1.00 0.00 N ATOM 82 CA ALA A 6 -8.235 -5.914 -4.199 1.00 0.00 C ATOM 83 C ALA A 6 -7.286 -4.904 -3.552 1.00 0.00 C ATOM 84 O ALA A 6 -7.728 -3.902 -2.990 1.00 0.00 O ATOM 85 CB ALA A 6 -8.954 -6.784 -3.166 1.00 0.00 C ATOM 0 H ALA A 6 -7.496 -7.755 -4.875 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.997 -5.350 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.515 -6.148 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.639 -7.462 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.221 -7.363 -2.604 1.00 0.00 H new ATOM 91 N LEU A 7 -5.998 -5.202 -3.653 1.00 0.00 N ATOM 92 CA LEU A 7 -4.983 -4.332 -3.085 1.00 0.00 C ATOM 93 C LEU A 7 -4.625 -3.243 -4.098 1.00 0.00 C ATOM 94 O LEU A 7 -4.788 -2.056 -3.821 1.00 0.00 O ATOM 95 CB LEU A 7 -3.780 -5.151 -2.611 1.00 0.00 C ATOM 96 CG LEU A 7 -3.621 -5.295 -1.097 1.00 0.00 C ATOM 97 CD1 LEU A 7 -3.599 -3.926 -0.416 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.702 -6.208 -0.516 1.00 0.00 C ATOM 0 H LEU A 7 -5.635 -6.033 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.366 -3.828 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.851 -6.148 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.874 -4.693 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.660 -5.769 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.485 -4.057 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.763 -3.341 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.533 -3.403 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.566 -6.293 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.685 -5.787 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.627 -7.196 -0.970 1.00 0.00 H new ATOM 110 N GLU A 8 -4.144 -3.686 -5.250 1.00 0.00 N ATOM 111 CA GLU A 8 -3.761 -2.764 -6.306 1.00 0.00 C ATOM 112 C GLU A 8 -4.738 -1.588 -6.363 1.00 0.00 C ATOM 113 O GLU A 8 -4.353 -0.473 -6.711 1.00 0.00 O ATOM 114 CB GLU A 8 -3.684 -3.479 -7.657 1.00 0.00 C ATOM 115 CG GLU A 8 -2.847 -2.675 -8.654 1.00 0.00 C ATOM 116 CD GLU A 8 -3.029 -3.209 -10.077 1.00 0.00 C ATOM 117 OE1 GLU A 8 -2.893 -4.440 -10.243 1.00 0.00 O ATOM 118 OE2 GLU A 8 -3.300 -2.372 -10.965 1.00 0.00 O ATOM 0 H GLU A 8 -4.011 -4.672 -5.476 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.768 -2.376 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.247 -4.469 -7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.689 -3.624 -8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.138 -1.625 -8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.795 -2.725 -8.375 1.00 0.00 H new ATOM 125 N GLU A 9 -5.983 -1.877 -6.016 1.00 0.00 N ATOM 126 CA GLU A 9 -7.019 -0.858 -6.022 1.00 0.00 C ATOM 127 C GLU A 9 -6.618 0.312 -5.119 1.00 0.00 C ATOM 128 O GLU A 9 -6.571 1.456 -5.564 1.00 0.00 O ATOM 129 CB GLU A 9 -8.367 -1.442 -5.599 1.00 0.00 C ATOM 130 CG GLU A 9 -9.464 -1.071 -6.597 1.00 0.00 C ATOM 131 CD GLU A 9 -10.236 0.165 -6.130 1.00 0.00 C ATOM 132 OE1 GLU A 9 -11.228 -0.030 -5.395 1.00 0.00 O ATOM 133 OE2 GLU A 9 -9.817 1.277 -6.519 1.00 0.00 O ATOM 0 H GLU A 9 -6.298 -2.803 -5.728 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.128 -0.485 -7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.290 -2.527 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.632 -1.073 -4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.021 -0.880 -7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.150 -1.909 -6.716 1.00 0.00 H new ATOM 140 N LYS A 10 -6.341 -0.019 -3.866 1.00 0.00 N ATOM 141 CA LYS A 10 -5.947 0.988 -2.897 1.00 0.00 C ATOM 142 C LYS A 10 -4.559 1.522 -3.257 1.00 0.00 C ATOM 143 O LYS A 10 -4.366 2.731 -3.376 1.00 0.00 O ATOM 144 CB LYS A 10 -6.041 0.430 -1.475 1.00 0.00 C ATOM 145 CG LYS A 10 -6.427 1.526 -0.481 1.00 0.00 C ATOM 146 CD LYS A 10 -7.948 1.631 -0.343 1.00 0.00 C ATOM 147 CE LYS A 10 -8.390 1.347 1.094 1.00 0.00 C ATOM 148 NZ LYS A 10 -9.851 1.120 1.151 1.00 0.00 N ATOM 0 H LYS A 10 -6.382 -0.970 -3.500 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.633 1.835 -2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.779 -0.371 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.084 -0.006 -1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.984 1.312 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.022 2.482 -0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.275 2.628 -0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.428 0.925 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.865 0.472 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.121 2.186 1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.135 0.929 2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.348 1.966 0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.099 0.305 0.554 1.00 0.00 H new ATOM 162 N VAL A 11 -3.628 0.593 -3.422 1.00 0.00 N ATOM 163 CA VAL A 11 -2.263 0.955 -3.767 1.00 0.00 C ATOM 164 C VAL A 11 -2.282 1.935 -4.942 1.00 0.00 C ATOM 165 O VAL A 11 -1.611 2.965 -4.905 1.00 0.00 O ATOM 166 CB VAL A 11 -1.444 -0.305 -4.052 1.00 0.00 C ATOM 167 CG1 VAL A 11 0.016 0.045 -4.345 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.547 -1.299 -2.894 1.00 0.00 C ATOM 0 H VAL A 11 -3.792 -0.409 -3.323 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.778 1.459 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.859 -0.781 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.576 -0.869 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.066 0.698 -5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.448 0.555 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.956 -2.186 -3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.170 -0.836 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.589 -1.585 -2.751 1.00 0.00 H new ATOM 178 N LYS A 12 -3.056 1.578 -5.956 1.00 0.00 N ATOM 179 CA LYS A 12 -3.171 2.414 -7.140 1.00 0.00 C ATOM 180 C LYS A 12 -3.642 3.810 -6.730 1.00 0.00 C ATOM 181 O LYS A 12 -3.078 4.812 -7.165 1.00 0.00 O ATOM 182 CB LYS A 12 -4.066 1.743 -8.184 1.00 0.00 C ATOM 183 CG LYS A 12 -4.424 2.719 -9.307 1.00 0.00 C ATOM 184 CD LYS A 12 -3.907 2.216 -10.656 1.00 0.00 C ATOM 185 CE LYS A 12 -4.695 2.836 -11.811 1.00 0.00 C ATOM 186 NZ LYS A 12 -5.813 1.952 -12.212 1.00 0.00 N ATOM 0 H LYS A 12 -3.610 0.722 -5.983 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.199 2.534 -7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.556 0.874 -8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.977 1.380 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.506 2.846 -9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.997 3.699 -9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.850 2.462 -10.759 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.987 1.130 -10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.083 3.810 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.034 3.004 -12.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.337 2.389 -12.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.436 1.032 -12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.453 1.813 -11.404 1.00 0.00 H new ATOM 200 N ALA A 13 -4.673 3.830 -5.898 1.00 0.00 N ATOM 201 CA ALA A 13 -5.228 5.088 -5.424 1.00 0.00 C ATOM 202 C ALA A 13 -4.167 5.834 -4.611 1.00 0.00 C ATOM 203 O ALA A 13 -4.140 7.063 -4.601 1.00 0.00 O ATOM 204 CB ALA A 13 -6.496 4.813 -4.616 1.00 0.00 C ATOM 0 H ALA A 13 -5.139 2.996 -5.540 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.508 5.725 -6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.912 5.755 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.227 4.308 -5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.254 4.179 -3.763 1.00 0.00 H new ATOM 210 N LEU A 14 -3.321 5.059 -3.950 1.00 0.00 N ATOM 211 CA LEU A 14 -2.262 5.630 -3.137 1.00 0.00 C ATOM 212 C LEU A 14 -1.269 6.362 -4.041 1.00 0.00 C ATOM 213 O LEU A 14 -1.092 7.574 -3.921 1.00 0.00 O ATOM 214 CB LEU A 14 -1.618 4.553 -2.261 1.00 0.00 C ATOM 215 CG LEU A 14 -2.493 3.988 -1.141 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.635 3.408 -0.015 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.477 5.042 -0.628 1.00 0.00 C ATOM 0 H LEU A 14 -3.347 4.039 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.669 6.368 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.307 3.729 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.714 4.968 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.084 3.169 -1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.282 3.013 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.011 2.606 -0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.000 4.191 0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.087 4.614 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.924 5.898 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.122 5.366 -1.445 1.00 0.00 H new ATOM 229 N GLU A 15 -0.646 5.597 -4.925 1.00 0.00 N ATOM 230 CA GLU A 15 0.325 6.157 -5.849 1.00 0.00 C ATOM 231 C GLU A 15 -0.094 7.569 -6.266 1.00 0.00 C ATOM 232 O GLU A 15 0.742 8.467 -6.355 1.00 0.00 O ATOM 233 CB GLU A 15 0.503 5.255 -7.072 1.00 0.00 C ATOM 234 CG GLU A 15 1.266 5.979 -8.182 1.00 0.00 C ATOM 235 CD GLU A 15 2.245 5.035 -8.881 1.00 0.00 C ATOM 236 OE1 GLU A 15 1.761 4.212 -9.688 1.00 0.00 O ATOM 237 OE2 GLU A 15 3.455 5.158 -8.594 1.00 0.00 O ATOM 0 H GLU A 15 -0.795 4.593 -5.021 1.00 0.00 H new ATOM 0 HA GLU A 15 1.288 6.218 -5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.041 4.351 -6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.473 4.941 -7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.561 6.381 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.809 6.826 -7.762 1.00 0.00 H new ATOM 244 N GLU A 16 -1.387 7.720 -6.512 1.00 0.00 N ATOM 245 CA GLU A 16 -1.926 9.007 -6.918 1.00 0.00 C ATOM 246 C GLU A 16 -2.049 9.936 -5.707 1.00 0.00 C ATOM 247 O GLU A 16 -1.490 11.032 -5.704 1.00 0.00 O ATOM 248 CB GLU A 16 -3.275 8.840 -7.619 1.00 0.00 C ATOM 249 CG GLU A 16 -3.822 10.190 -8.087 1.00 0.00 C ATOM 250 CD GLU A 16 -5.157 10.505 -7.412 1.00 0.00 C ATOM 251 OE1 GLU A 16 -6.153 9.849 -7.788 1.00 0.00 O ATOM 252 OE2 GLU A 16 -5.153 11.395 -6.533 1.00 0.00 O ATOM 0 H GLU A 16 -2.077 6.973 -6.438 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.237 9.459 -7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.164 8.173 -8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.986 8.372 -6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.102 10.976 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.952 10.178 -9.169 1.00 0.00 H new ATOM 259 N LYS A 17 -2.783 9.464 -4.712 1.00 0.00 N ATOM 260 CA LYS A 17 -2.986 10.239 -3.500 1.00 0.00 C ATOM 261 C LYS A 17 -1.629 10.680 -2.947 1.00 0.00 C ATOM 262 O LYS A 17 -1.419 11.861 -2.678 1.00 0.00 O ATOM 263 CB LYS A 17 -3.832 9.453 -2.496 1.00 0.00 C ATOM 264 CG LYS A 17 -5.047 10.267 -2.046 1.00 0.00 C ATOM 265 CD LYS A 17 -6.250 9.358 -1.784 1.00 0.00 C ATOM 266 CE LYS A 17 -7.232 10.016 -0.813 1.00 0.00 C ATOM 267 NZ LYS A 17 -7.889 8.993 0.032 1.00 0.00 N ATOM 0 H LYS A 17 -3.245 8.555 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.551 11.145 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.163 8.518 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.224 9.191 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.802 10.822 -1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.301 11.001 -2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.755 9.137 -2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.910 8.407 -1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.705 10.733 -0.183 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.985 10.574 -1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.552 9.456 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.408 8.325 -0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.168 8.478 0.577 1.00 0.00 H new ATOM 281 N VAL A 18 -0.743 9.706 -2.796 1.00 0.00 N ATOM 282 CA VAL A 18 0.587 9.978 -2.281 1.00 0.00 C ATOM 283 C VAL A 18 1.204 11.141 -3.062 1.00 0.00 C ATOM 284 O VAL A 18 1.879 11.992 -2.487 1.00 0.00 O ATOM 285 CB VAL A 18 1.438 8.708 -2.329 1.00 0.00 C ATOM 286 CG1 VAL A 18 2.793 8.929 -1.653 1.00 0.00 C ATOM 287 CG2 VAL A 18 0.696 7.527 -1.698 1.00 0.00 C ATOM 0 H VAL A 18 -0.921 8.727 -3.022 1.00 0.00 H new ATOM 0 HA VAL A 18 0.536 10.279 -1.235 1.00 0.00 H new ATOM 0 HB VAL A 18 1.622 8.468 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.378 8.010 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.329 9.728 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.638 9.206 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.323 6.636 -1.745 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.467 7.755 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.231 7.347 -2.242 1.00 0.00 H new ATOM 297 N LYS A 19 0.950 11.138 -4.363 1.00 0.00 N ATOM 298 CA LYS A 19 1.471 12.181 -5.229 1.00 0.00 C ATOM 299 C LYS A 19 0.707 13.481 -4.973 1.00 0.00 C ATOM 300 O LYS A 19 1.224 14.570 -5.219 1.00 0.00 O ATOM 301 CB LYS A 19 1.443 11.728 -6.690 1.00 0.00 C ATOM 302 CG LYS A 19 2.580 12.370 -7.486 1.00 0.00 C ATOM 303 CD LYS A 19 3.329 11.324 -8.313 1.00 0.00 C ATOM 304 CE LYS A 19 3.899 11.941 -9.592 1.00 0.00 C ATOM 305 NZ LYS A 19 5.157 11.264 -9.979 1.00 0.00 N ATOM 0 H LYS A 19 0.390 10.430 -4.838 1.00 0.00 H new ATOM 0 HA LYS A 19 2.519 12.377 -5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.528 10.642 -6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.486 11.994 -7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.178 13.140 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.272 12.864 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.137 10.897 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.655 10.506 -8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.171 11.857 -10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.084 13.004 -9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.530 11.695 -10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.855 11.366 -9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.971 10.254 -10.145 1.00 0.00 H new ATOM 319 N ALA A 20 -0.514 13.325 -4.481 1.00 0.00 N ATOM 320 CA ALA A 20 -1.355 14.473 -4.189 1.00 0.00 C ATOM 321 C ALA A 20 -0.886 15.125 -2.888 1.00 0.00 C ATOM 322 O ALA A 20 -1.427 16.150 -2.472 1.00 0.00 O ATOM 323 CB ALA A 20 -2.819 14.030 -4.124 1.00 0.00 C ATOM 0 H ALA A 20 -0.940 12.421 -4.277 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.274 15.219 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.450 14.891 -3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.112 13.600 -5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.939 13.283 -3.339 1.00 0.00 H new ATOM 329 N LEU A 21 0.115 14.507 -2.280 1.00 0.00 N ATOM 330 CA LEU A 21 0.664 15.014 -1.035 1.00 0.00 C ATOM 331 C LEU A 21 1.763 16.034 -1.344 1.00 0.00 C ATOM 332 O LEU A 21 2.566 15.829 -2.253 1.00 0.00 O ATOM 333 CB LEU A 21 1.129 13.861 -0.144 1.00 0.00 C ATOM 334 CG LEU A 21 0.230 12.623 -0.126 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.834 11.519 0.745 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.192 12.983 0.309 1.00 0.00 C ATOM 0 H LEU A 21 0.561 13.658 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.105 15.536 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.125 13.558 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.224 14.232 0.877 1.00 0.00 H new ATOM 0 HG LEU A 21 0.166 12.233 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.175 10.651 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.810 11.236 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.948 11.883 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.810 12.085 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.168 13.412 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.612 13.709 -0.387 1.00 0.00 H new ATOM 348 N GLY A 22 1.763 17.109 -0.570 1.00 0.00 N ATOM 349 CA GLY A 22 2.750 18.161 -0.751 1.00 0.00 C ATOM 350 C GLY A 22 4.144 17.680 -0.340 1.00 0.00 C ATOM 351 O GLY A 22 4.765 18.258 0.550 1.00 0.00 O ATOM 0 H GLY A 22 1.096 17.275 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.763 18.477 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.472 19.032 -0.157 1.00 0.00 H new ATOM 355 N GLY A 23 4.592 16.628 -1.008 1.00 0.00 N ATOM 356 CA GLY A 23 5.902 16.064 -0.724 1.00 0.00 C ATOM 357 C GLY A 23 6.904 17.161 -0.359 1.00 0.00 C ATOM 358 O GLY A 23 6.767 18.303 -0.794 1.00 0.00 O ATOM 0 H GLY A 23 4.072 16.151 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.824 15.350 0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.261 15.513 -1.593 1.00 0.00 H new ATOM 362 N GLY A 24 7.890 16.775 0.438 1.00 0.00 N ATOM 363 CA GLY A 24 8.914 17.711 0.867 1.00 0.00 C ATOM 364 C GLY A 24 8.998 17.773 2.393 1.00 0.00 C ATOM 365 O GLY A 24 9.162 18.848 2.967 1.00 0.00 O ATOM 0 H GLY A 24 8.001 15.827 0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.879 17.412 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.694 18.702 0.471 1.00 0.00 H new ATOM 369 N GLY A 25 8.882 16.605 3.007 1.00 0.00 N ATOM 370 CA GLY A 25 8.942 16.510 4.456 1.00 0.00 C ATOM 371 C GLY A 25 7.739 15.742 5.006 1.00 0.00 C ATOM 372 O GLY A 25 7.152 16.138 6.012 1.00 0.00 O ATOM 0 H GLY A 25 8.747 15.715 2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.864 16.010 4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.968 17.510 4.889 1.00 0.00 H new ATOM 376 N ARG A 26 7.407 14.657 4.322 1.00 0.00 N ATOM 377 CA ARG A 26 6.284 13.830 4.730 1.00 0.00 C ATOM 378 C ARG A 26 6.322 12.487 3.999 1.00 0.00 C ATOM 379 O ARG A 26 6.833 11.501 4.529 1.00 0.00 O ATOM 380 CB ARG A 26 4.953 14.525 4.437 1.00 0.00 C ATOM 381 CG ARG A 26 4.398 15.198 5.693 1.00 0.00 C ATOM 382 CD ARG A 26 4.129 16.685 5.445 1.00 0.00 C ATOM 383 NE ARG A 26 4.207 17.433 6.720 1.00 0.00 N ATOM 384 CZ ARG A 26 3.320 17.312 7.717 1.00 0.00 C ATOM 385 NH1 ARG A 26 2.282 16.474 7.593 1.00 0.00 N ATOM 386 NH2 ARG A 26 3.470 18.030 8.838 1.00 0.00 N ATOM 0 H ARG A 26 7.896 14.331 3.488 1.00 0.00 H new ATOM 0 HA ARG A 26 6.366 13.666 5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.092 15.269 3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.233 13.797 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.475 14.704 5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.106 15.085 6.514 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.856 17.081 4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.144 16.815 4.997 1.00 0.00 H new ATOM 0 HE ARG A 26 4.984 18.081 6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.167 15.928 6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.607 16.382 8.352 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.259 18.669 8.933 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.795 17.938 9.597 1.00 0.00 H new ATOM 400 N ILE A 27 5.774 12.489 2.793 1.00 0.00 N ATOM 401 CA ILE A 27 5.739 11.283 1.983 1.00 0.00 C ATOM 402 C ILE A 27 7.128 10.643 1.969 1.00 0.00 C ATOM 403 O ILE A 27 7.258 9.437 1.765 1.00 0.00 O ATOM 404 CB ILE A 27 5.188 11.589 0.589 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.994 12.700 -0.087 1.00 0.00 C ATOM 406 CG2 ILE A 27 3.695 11.919 0.649 1.00 0.00 C ATOM 407 CD1 ILE A 27 5.222 13.298 -1.264 1.00 0.00 C ATOM 0 H ILE A 27 5.350 13.308 2.357 1.00 0.00 H new ATOM 0 HA ILE A 27 5.056 10.553 2.416 1.00 0.00 H new ATOM 0 HB ILE A 27 5.295 10.694 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.222 13.482 0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.947 12.302 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.329 12.132 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.151 11.069 1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.540 12.791 1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.817 14.085 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.017 12.519 -1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.281 13.717 -0.907 1.00 0.00 H new ATOM 419 N GLU A 28 8.132 11.479 2.189 1.00 0.00 N ATOM 420 CA GLU A 28 9.507 11.010 2.204 1.00 0.00 C ATOM 421 C GLU A 28 9.613 9.703 2.992 1.00 0.00 C ATOM 422 O GLU A 28 10.566 8.944 2.816 1.00 0.00 O ATOM 423 CB GLU A 28 10.444 12.074 2.780 1.00 0.00 C ATOM 424 CG GLU A 28 11.908 11.682 2.577 1.00 0.00 C ATOM 425 CD GLU A 28 12.678 11.736 3.898 1.00 0.00 C ATOM 426 OE1 GLU A 28 12.843 12.862 4.414 1.00 0.00 O ATOM 427 OE2 GLU A 28 13.083 10.648 4.363 1.00 0.00 O ATOM 0 H GLU A 28 8.021 12.479 2.358 1.00 0.00 H new ATOM 0 HA GLU A 28 9.816 10.819 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.250 13.033 2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.243 12.204 3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.965 10.677 2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.371 12.354 1.854 1.00 0.00 H new ATOM 434 N GLU A 29 8.622 9.479 3.842 1.00 0.00 N ATOM 435 CA GLU A 29 8.593 8.277 4.657 1.00 0.00 C ATOM 436 C GLU A 29 7.561 7.289 4.108 1.00 0.00 C ATOM 437 O GLU A 29 7.904 6.162 3.752 1.00 0.00 O ATOM 438 CB GLU A 29 8.303 8.614 6.121 1.00 0.00 C ATOM 439 CG GLU A 29 7.963 7.353 6.918 1.00 0.00 C ATOM 440 CD GLU A 29 8.779 7.283 8.211 1.00 0.00 C ATOM 441 OE1 GLU A 29 9.993 7.011 8.102 1.00 0.00 O ATOM 442 OE2 GLU A 29 8.168 7.505 9.278 1.00 0.00 O ATOM 0 H GLU A 29 7.833 10.110 3.984 1.00 0.00 H new ATOM 0 HA GLU A 29 9.576 7.808 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.170 9.105 6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.474 9.319 6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.899 7.344 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.162 6.470 6.310 1.00 0.00 H new ATOM 449 N LEU A 30 6.319 7.747 4.056 1.00 0.00 N ATOM 450 CA LEU A 30 5.236 6.918 3.555 1.00 0.00 C ATOM 451 C LEU A 30 5.617 6.364 2.181 1.00 0.00 C ATOM 452 O LEU A 30 5.523 5.160 1.945 1.00 0.00 O ATOM 453 CB LEU A 30 3.919 7.695 3.562 1.00 0.00 C ATOM 454 CG LEU A 30 3.503 8.320 2.229 1.00 0.00 C ATOM 455 CD1 LEU A 30 3.225 7.242 1.181 1.00 0.00 C ATOM 456 CD2 LEU A 30 2.311 9.262 2.413 1.00 0.00 C ATOM 0 H LEU A 30 6.038 8.682 4.353 1.00 0.00 H new ATOM 0 HA LEU A 30 5.077 6.062 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.125 7.023 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.992 8.488 4.306 1.00 0.00 H new ATOM 0 HG LEU A 30 4.334 8.921 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.931 7.713 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.125 6.648 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.420 6.595 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.036 9.693 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.466 8.705 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.582 10.061 3.104 1.00 0.00 H new ATOM 468 N LYS A 31 6.038 7.268 1.310 1.00 0.00 N ATOM 469 CA LYS A 31 6.433 6.886 -0.035 1.00 0.00 C ATOM 470 C LYS A 31 7.422 5.720 0.041 1.00 0.00 C ATOM 471 O LYS A 31 7.574 4.967 -0.919 1.00 0.00 O ATOM 472 CB LYS A 31 6.967 8.096 -0.802 1.00 0.00 C ATOM 473 CG LYS A 31 6.291 8.222 -2.169 1.00 0.00 C ATOM 474 CD LYS A 31 7.307 8.054 -3.301 1.00 0.00 C ATOM 475 CE LYS A 31 7.422 6.587 -3.720 1.00 0.00 C ATOM 476 NZ LYS A 31 7.914 6.483 -5.112 1.00 0.00 N ATOM 0 H LYS A 31 6.114 8.265 1.509 1.00 0.00 H new ATOM 0 HA LYS A 31 5.569 6.537 -0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.795 9.003 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.045 8.001 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.509 7.469 -2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.807 9.195 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.006 8.658 -4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.281 8.421 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.101 6.063 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.450 6.101 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.986 5.481 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.251 6.966 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.851 6.929 -5.183 1.00 0.00 H new ATOM 490 N LYS A 32 8.067 5.608 1.192 1.00 0.00 N ATOM 491 CA LYS A 32 9.038 4.548 1.407 1.00 0.00 C ATOM 492 C LYS A 32 8.300 3.231 1.662 1.00 0.00 C ATOM 493 O LYS A 32 8.354 2.317 0.841 1.00 0.00 O ATOM 494 CB LYS A 32 10.015 4.931 2.520 1.00 0.00 C ATOM 495 CG LYS A 32 10.417 6.403 2.413 1.00 0.00 C ATOM 496 CD LYS A 32 11.690 6.682 3.214 1.00 0.00 C ATOM 497 CE LYS A 32 12.767 7.314 2.330 1.00 0.00 C ATOM 498 NZ LYS A 32 14.010 6.511 2.372 1.00 0.00 N ATOM 0 H LYS A 32 7.937 6.234 1.987 1.00 0.00 H new ATOM 0 HA LYS A 32 9.649 4.405 0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.557 4.745 3.491 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.904 4.302 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.576 6.665 1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.607 7.033 2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.461 7.347 4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.065 5.753 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.408 7.385 1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.972 8.330 2.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.730 6.954 1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.361 6.465 3.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.814 5.549 2.029 1.00 0.00 H new ATOM 512 N LYS A 33 7.628 3.179 2.802 1.00 0.00 N ATOM 513 CA LYS A 33 6.880 1.990 3.175 1.00 0.00 C ATOM 514 C LYS A 33 5.965 1.583 2.018 1.00 0.00 C ATOM 515 O LYS A 33 5.839 0.400 1.708 1.00 0.00 O ATOM 516 CB LYS A 33 6.138 2.216 4.494 1.00 0.00 C ATOM 517 CG LYS A 33 7.110 2.610 5.609 1.00 0.00 C ATOM 518 CD LYS A 33 6.938 1.706 6.831 1.00 0.00 C ATOM 519 CE LYS A 33 7.925 0.537 6.791 1.00 0.00 C ATOM 520 NZ LYS A 33 7.288 -0.660 6.197 1.00 0.00 N ATOM 0 H LYS A 33 7.586 3.940 3.480 1.00 0.00 H new ATOM 0 HA LYS A 33 7.558 1.155 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.390 2.998 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.604 1.308 4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.135 2.543 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.941 3.648 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.092 2.286 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.918 1.324 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.804 0.815 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.270 0.310 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.972 -1.444 6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.463 -0.934 6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.981 -0.445 5.227 1.00 0.00 H new ATOM 534 N TRP A 34 5.353 2.587 1.409 1.00 0.00 N ATOM 535 CA TRP A 34 4.454 2.349 0.293 1.00 0.00 C ATOM 536 C TRP A 34 5.237 1.611 -0.795 1.00 0.00 C ATOM 537 O TRP A 34 4.665 0.833 -1.558 1.00 0.00 O ATOM 538 CB TRP A 34 3.834 3.658 -0.201 1.00 0.00 C ATOM 539 CG TRP A 34 3.861 3.825 -1.722 1.00 0.00 C ATOM 540 CD1 TRP A 34 4.843 4.334 -2.478 1.00 0.00 C ATOM 541 CD2 TRP A 34 2.814 3.459 -2.646 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.508 4.323 -3.817 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.235 3.774 -3.922 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.555 2.882 -2.411 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.456 3.548 -5.063 1.00 0.00 C ATOM 546 CZ3 TRP A 34 0.788 2.662 -3.563 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.197 2.974 -4.854 1.00 0.00 C ATOM 0 H TRP A 34 5.462 3.568 1.667 1.00 0.00 H new ATOM 0 HA TRP A 34 3.614 1.727 0.601 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.801 3.711 0.142 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.364 4.494 0.255 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.779 4.706 -2.089 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.088 4.656 -4.587 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.206 2.628 -1.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 2.808 3.803 -6.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.189 2.219 -3.439 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.546 2.774 -5.692 1.00 0.00 H new ATOM 558 N GLU A 35 6.534 1.882 -0.833 1.00 0.00 N ATOM 559 CA GLU A 35 7.401 1.253 -1.815 1.00 0.00 C ATOM 560 C GLU A 35 7.742 -0.175 -1.386 1.00 0.00 C ATOM 561 O GLU A 35 7.882 -1.063 -2.225 1.00 0.00 O ATOM 562 CB GLU A 35 8.671 2.078 -2.033 1.00 0.00 C ATOM 563 CG GLU A 35 8.736 2.617 -3.464 1.00 0.00 C ATOM 564 CD GLU A 35 9.171 1.524 -4.442 1.00 0.00 C ATOM 565 OE1 GLU A 35 10.277 0.981 -4.230 1.00 0.00 O ATOM 566 OE2 GLU A 35 8.388 1.257 -5.380 1.00 0.00 O ATOM 0 H GLU A 35 7.005 2.528 -0.200 1.00 0.00 H new ATOM 0 HA GLU A 35 6.868 1.208 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.696 2.908 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.548 1.462 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.759 3.003 -3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.436 3.451 -3.511 1.00 0.00 H new ATOM 573 N GLU A 36 7.866 -0.352 -0.078 1.00 0.00 N ATOM 574 CA GLU A 36 8.188 -1.657 0.473 1.00 0.00 C ATOM 575 C GLU A 36 6.916 -2.488 0.647 1.00 0.00 C ATOM 576 O GLU A 36 6.984 -3.704 0.824 1.00 0.00 O ATOM 577 CB GLU A 36 8.939 -1.522 1.800 1.00 0.00 C ATOM 578 CG GLU A 36 9.739 -0.219 1.846 1.00 0.00 C ATOM 579 CD GLU A 36 11.013 -0.386 2.677 1.00 0.00 C ATOM 580 OE1 GLU A 36 10.881 -0.849 3.831 1.00 0.00 O ATOM 581 OE2 GLU A 36 12.089 -0.048 2.140 1.00 0.00 O ATOM 0 H GLU A 36 7.749 0.387 0.615 1.00 0.00 H new ATOM 0 HA GLU A 36 8.844 -2.173 -0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.230 -1.547 2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.611 -2.370 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 36 9.999 0.088 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.124 0.574 2.272 1.00 0.00 H new ATOM 588 N LEU A 37 5.785 -1.801 0.589 1.00 0.00 N ATOM 589 CA LEU A 37 4.499 -2.461 0.737 1.00 0.00 C ATOM 590 C LEU A 37 4.070 -3.040 -0.613 1.00 0.00 C ATOM 591 O LEU A 37 3.765 -4.228 -0.713 1.00 0.00 O ATOM 592 CB LEU A 37 3.474 -1.506 1.351 1.00 0.00 C ATOM 593 CG LEU A 37 2.099 -1.474 0.678 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.384 -2.818 0.830 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.256 -0.312 1.206 1.00 0.00 C ATOM 0 H LEU A 37 5.732 -0.793 0.441 1.00 0.00 H new ATOM 0 HA LEU A 37 4.577 -3.297 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.338 -1.775 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.889 -0.498 1.333 1.00 0.00 H new ATOM 0 HG LEU A 37 2.244 -1.305 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.410 -2.769 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.982 -3.603 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.250 -3.041 1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.285 -0.313 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.116 -0.423 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.766 0.630 1.002 1.00 0.00 H new ATOM 607 N LYS A 38 4.059 -2.174 -1.616 1.00 0.00 N ATOM 608 CA LYS A 38 3.672 -2.586 -2.955 1.00 0.00 C ATOM 609 C LYS A 38 4.500 -3.804 -3.369 1.00 0.00 C ATOM 610 O LYS A 38 4.015 -4.671 -4.095 1.00 0.00 O ATOM 611 CB LYS A 38 3.779 -1.410 -3.928 1.00 0.00 C ATOM 612 CG LYS A 38 3.578 -1.873 -5.372 1.00 0.00 C ATOM 613 CD LYS A 38 4.507 -1.119 -6.325 1.00 0.00 C ATOM 614 CE LYS A 38 4.099 0.351 -6.439 1.00 0.00 C ATOM 615 NZ LYS A 38 3.114 0.532 -7.528 1.00 0.00 N ATOM 0 H LYS A 38 4.312 -1.190 -1.528 1.00 0.00 H new ATOM 0 HA LYS A 38 2.626 -2.891 -2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.033 -0.656 -3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.756 -0.937 -3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.769 -2.944 -5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.541 -1.714 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.534 -1.188 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.480 -1.585 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.673 0.691 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.979 0.965 -6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.848 1.535 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.533 0.227 -8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.268 -0.039 -7.329 1.00 0.00 H new ATOM 629 N LYS A 39 5.735 -3.832 -2.889 1.00 0.00 N ATOM 630 CA LYS A 39 6.634 -4.929 -3.201 1.00 0.00 C ATOM 631 C LYS A 39 6.113 -6.211 -2.548 1.00 0.00 C ATOM 632 O LYS A 39 6.405 -7.312 -3.012 1.00 0.00 O ATOM 633 CB LYS A 39 8.069 -4.576 -2.803 1.00 0.00 C ATOM 634 CG LYS A 39 9.079 -5.297 -3.696 1.00 0.00 C ATOM 635 CD LYS A 39 9.241 -6.758 -3.274 1.00 0.00 C ATOM 636 CE LYS A 39 10.697 -7.067 -2.917 1.00 0.00 C ATOM 637 NZ LYS A 39 11.137 -8.318 -3.576 1.00 0.00 N ATOM 0 H LYS A 39 6.134 -3.112 -2.286 1.00 0.00 H new ATOM 0 HA LYS A 39 6.660 -5.106 -4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.216 -3.499 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.239 -4.849 -1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.751 -5.249 -4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.043 -4.791 -3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.601 -6.966 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.914 -7.412 -4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.337 -6.241 -3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.801 -7.162 -1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.127 -8.514 -3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.537 -9.106 -3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.057 -8.214 -4.608 1.00 0.00 H new ATOM 651 N LYS A 40 5.350 -6.025 -1.480 1.00 0.00 N ATOM 652 CA LYS A 40 4.785 -7.153 -0.759 1.00 0.00 C ATOM 653 C LYS A 40 3.542 -7.653 -1.498 1.00 0.00 C ATOM 654 O LYS A 40 3.349 -8.859 -1.649 1.00 0.00 O ATOM 655 CB LYS A 40 4.524 -6.779 0.702 1.00 0.00 C ATOM 656 CG LYS A 40 5.654 -7.276 1.606 1.00 0.00 C ATOM 657 CD LYS A 40 5.845 -6.348 2.806 1.00 0.00 C ATOM 658 CE LYS A 40 6.639 -7.041 3.914 1.00 0.00 C ATOM 659 NZ LYS A 40 6.870 -6.114 5.044 1.00 0.00 N ATOM 0 H LYS A 40 5.110 -5.110 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 40 5.494 -7.981 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.430 -5.697 0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.577 -7.209 1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.429 -8.284 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.581 -7.335 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.366 -5.444 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.873 -6.039 3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.097 -7.920 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.594 -7.390 3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.410 -6.601 5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.406 -5.287 4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.956 -5.801 5.429 1.00 0.00 H new ATOM 673 N ILE A 41 2.730 -6.702 -1.936 1.00 0.00 N ATOM 674 CA ILE A 41 1.512 -7.033 -2.654 1.00 0.00 C ATOM 675 C ILE A 41 1.869 -7.756 -3.954 1.00 0.00 C ATOM 676 O ILE A 41 1.017 -8.398 -4.567 1.00 0.00 O ATOM 677 CB ILE A 41 0.657 -5.780 -2.863 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.665 -4.896 -1.614 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.763 -6.151 -3.295 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.553 -3.971 -1.590 1.00 0.00 C ATOM 0 H ILE A 41 2.892 -5.703 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 41 0.899 -7.717 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 41 1.097 -5.197 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.669 -5.521 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.578 -4.301 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.349 -5.243 -3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.725 -6.708 -4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.228 -6.767 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.523 -3.354 -0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.541 -3.330 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.464 -4.569 -1.589 1.00 0.00 H new ATOM 692 N GLU A 42 3.132 -7.630 -4.336 1.00 0.00 N ATOM 693 CA GLU A 42 3.614 -8.264 -5.550 1.00 0.00 C ATOM 694 C GLU A 42 3.851 -9.757 -5.312 1.00 0.00 C ATOM 695 O GLU A 42 3.305 -10.597 -6.026 1.00 0.00 O ATOM 696 CB GLU A 42 4.885 -7.581 -6.059 1.00 0.00 C ATOM 697 CG GLU A 42 4.588 -6.702 -7.275 1.00 0.00 C ATOM 698 CD GLU A 42 5.836 -6.524 -8.141 1.00 0.00 C ATOM 699 OE1 GLU A 42 6.897 -6.222 -7.553 1.00 0.00 O ATOM 700 OE2 GLU A 42 5.701 -6.693 -9.372 1.00 0.00 O ATOM 0 H GLU A 42 3.836 -7.097 -3.825 1.00 0.00 H new ATOM 0 HA GLU A 42 2.850 -8.156 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.318 -6.974 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.626 -8.335 -6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.791 -7.152 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.228 -5.728 -6.945 1.00 0.00 H new ATOM 707 N GLU A 43 4.664 -10.041 -4.306 1.00 0.00 N ATOM 708 CA GLU A 43 4.980 -11.418 -3.965 1.00 0.00 C ATOM 709 C GLU A 43 3.752 -12.114 -3.376 1.00 0.00 C ATOM 710 O GLU A 43 3.719 -13.339 -3.270 1.00 0.00 O ATOM 711 CB GLU A 43 6.164 -11.486 -2.999 1.00 0.00 C ATOM 712 CG GLU A 43 7.228 -12.462 -3.503 1.00 0.00 C ATOM 713 CD GLU A 43 8.612 -12.093 -2.966 1.00 0.00 C ATOM 714 OE1 GLU A 43 8.714 -11.925 -1.731 1.00 0.00 O ATOM 715 OE2 GLU A 43 9.536 -11.986 -3.800 1.00 0.00 O ATOM 0 H GLU A 43 5.114 -9.341 -3.716 1.00 0.00 H new ATOM 0 HA GLU A 43 5.267 -11.941 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.601 -10.494 -2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.817 -11.798 -2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.973 -13.475 -3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.244 -12.457 -4.593 1.00 0.00 H new ATOM 722 N LEU A 44 2.770 -11.302 -3.009 1.00 0.00 N ATOM 723 CA LEU A 44 1.543 -11.825 -2.434 1.00 0.00 C ATOM 724 C LEU A 44 1.095 -13.053 -3.228 1.00 0.00 C ATOM 725 O LEU A 44 0.487 -12.923 -4.290 1.00 0.00 O ATOM 726 CB LEU A 44 0.481 -10.726 -2.349 1.00 0.00 C ATOM 727 CG LEU A 44 0.426 -9.947 -1.033 1.00 0.00 C ATOM 728 CD1 LEU A 44 -0.783 -9.010 -1.001 1.00 0.00 C ATOM 729 CD2 LEU A 44 0.449 -10.895 0.167 1.00 0.00 C ATOM 0 H LEU A 44 2.800 -10.286 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 44 1.712 -12.153 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.653 -10.019 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.496 -11.178 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 44 1.318 -9.324 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.799 -8.468 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.715 -8.300 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.698 -9.594 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.409 -10.315 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.412 -11.562 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.366 -11.484 0.148 1.00 0.00 H new ATOM 741 N GLY A 45 1.412 -14.219 -2.683 1.00 0.00 N ATOM 742 CA GLY A 45 1.049 -15.469 -3.327 1.00 0.00 C ATOM 743 C GLY A 45 1.087 -16.630 -2.332 1.00 0.00 C ATOM 744 O GLY A 45 0.261 -16.701 -1.424 1.00 0.00 O ATOM 0 H GLY A 45 1.916 -14.324 -1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.050 -15.385 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.733 -15.669 -4.151 1.00 0.00 H new ATOM 748 N GLY A 46 2.055 -17.512 -2.537 1.00 0.00 N ATOM 749 CA GLY A 46 2.212 -18.666 -1.669 1.00 0.00 C ATOM 750 C GLY A 46 1.917 -18.301 -0.212 1.00 0.00 C ATOM 751 O GLY A 46 1.050 -18.903 0.420 1.00 0.00 O ATOM 0 H GLY A 46 2.738 -17.450 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.541 -19.462 -1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.228 -19.053 -1.752 1.00 0.00 H new ATOM 755 N GLY A 47 2.656 -17.317 0.279 1.00 0.00 N ATOM 756 CA GLY A 47 2.485 -16.864 1.648 1.00 0.00 C ATOM 757 C GLY A 47 1.264 -15.950 1.776 1.00 0.00 C ATOM 758 O GLY A 47 1.234 -14.864 1.199 1.00 0.00 O ATOM 0 H GLY A 47 3.375 -16.821 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.370 -17.724 2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.378 -16.330 1.972 1.00 0.00 H new ATOM 762 N GLY A 48 0.287 -16.424 2.535 1.00 0.00 N ATOM 763 CA GLY A 48 -0.933 -15.664 2.745 1.00 0.00 C ATOM 764 C GLY A 48 -0.787 -14.710 3.932 1.00 0.00 C ATOM 765 O GLY A 48 -1.686 -14.607 4.765 1.00 0.00 O ATOM 0 H GLY A 48 0.316 -17.325 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.172 -15.097 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.765 -16.346 2.922 1.00 0.00 H new ATOM 769 N GLU A 49 0.353 -14.036 3.971 1.00 0.00 N ATOM 770 CA GLU A 49 0.630 -13.094 5.042 1.00 0.00 C ATOM 771 C GLU A 49 0.234 -11.678 4.618 1.00 0.00 C ATOM 772 O GLU A 49 0.905 -10.710 4.973 1.00 0.00 O ATOM 773 CB GLU A 49 2.100 -13.152 5.458 1.00 0.00 C ATOM 774 CG GLU A 49 2.327 -14.224 6.526 1.00 0.00 C ATOM 775 CD GLU A 49 2.014 -13.682 7.921 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.770 -12.794 8.368 1.00 0.00 O ATOM 777 OE2 GLU A 49 1.025 -14.170 8.511 1.00 0.00 O ATOM 0 H GLU A 49 1.096 -14.124 3.278 1.00 0.00 H new ATOM 0 HA GLU A 49 0.032 -13.373 5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.720 -13.365 4.587 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.412 -12.180 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.697 -15.089 6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.361 -14.567 6.489 1.00 0.00 H new ATOM 784 N VAL A 50 -0.853 -11.602 3.866 1.00 0.00 N ATOM 785 CA VAL A 50 -1.346 -10.320 3.389 1.00 0.00 C ATOM 786 C VAL A 50 -1.637 -9.414 4.587 1.00 0.00 C ATOM 787 O VAL A 50 -1.482 -8.196 4.499 1.00 0.00 O ATOM 788 CB VAL A 50 -2.565 -10.530 2.488 1.00 0.00 C ATOM 789 CG1 VAL A 50 -3.017 -9.209 1.862 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.277 -11.577 1.411 1.00 0.00 C ATOM 0 H VAL A 50 -1.407 -12.407 3.575 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.591 -9.823 2.780 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.380 -10.904 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.885 -9.386 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.282 -8.505 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.207 -8.794 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.160 -11.707 0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.441 -11.245 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.025 -12.526 1.884 1.00 0.00 H new ATOM 800 N LYS A 51 -2.052 -10.042 5.676 1.00 0.00 N ATOM 801 CA LYS A 51 -2.365 -9.307 6.890 1.00 0.00 C ATOM 802 C LYS A 51 -1.366 -8.162 7.060 1.00 0.00 C ATOM 803 O LYS A 51 -1.703 -7.114 7.612 1.00 0.00 O ATOM 804 CB LYS A 51 -2.425 -10.254 8.090 1.00 0.00 C ATOM 805 CG LYS A 51 -3.459 -9.778 9.113 1.00 0.00 C ATOM 806 CD LYS A 51 -4.838 -10.372 8.815 1.00 0.00 C ATOM 807 CE LYS A 51 -4.982 -11.762 9.437 1.00 0.00 C ATOM 808 NZ LYS A 51 -6.406 -12.067 9.702 1.00 0.00 N ATOM 0 H LYS A 51 -2.179 -11.052 5.744 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.356 -8.858 6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.678 -11.259 7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.443 -10.313 8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.144 -10.067 10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.517 -8.690 9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.614 -9.713 9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.986 -10.435 7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.562 -12.512 8.767 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.414 -11.812 10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.485 -13.014 10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.796 -11.361 10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.939 -12.040 8.809 1.00 0.00 H new ATOM 822 N LYS A 52 -0.155 -8.398 6.576 1.00 0.00 N ATOM 823 CA LYS A 52 0.896 -7.399 6.668 1.00 0.00 C ATOM 824 C LYS A 52 0.624 -6.283 5.657 1.00 0.00 C ATOM 825 O LYS A 52 0.476 -5.122 6.033 1.00 0.00 O ATOM 826 CB LYS A 52 2.270 -8.052 6.508 1.00 0.00 C ATOM 827 CG LYS A 52 2.971 -8.194 7.861 1.00 0.00 C ATOM 828 CD LYS A 52 2.844 -9.623 8.396 1.00 0.00 C ATOM 829 CE LYS A 52 4.117 -10.047 9.130 1.00 0.00 C ATOM 830 NZ LYS A 52 4.762 -11.184 8.434 1.00 0.00 N ATOM 0 H LYS A 52 0.122 -9.267 6.119 1.00 0.00 H new ATOM 0 HA LYS A 52 0.899 -6.940 7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.159 -9.034 6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.885 -7.453 5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.024 -7.932 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.537 -7.494 8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.991 -9.688 9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.650 -10.308 7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.809 -9.207 9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.876 -10.329 10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.736 -11.297 8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.225 -12.055 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.779 -11.000 7.411 1.00 0.00 H new ATOM 844 N VAL A 53 0.564 -6.676 4.393 1.00 0.00 N ATOM 845 CA VAL A 53 0.312 -5.724 3.325 1.00 0.00 C ATOM 846 C VAL A 53 -0.779 -4.747 3.765 1.00 0.00 C ATOM 847 O VAL A 53 -0.503 -3.574 4.015 1.00 0.00 O ATOM 848 CB VAL A 53 -0.037 -6.467 2.033 1.00 0.00 C ATOM 849 CG1 VAL A 53 -0.941 -5.616 1.139 1.00 0.00 C ATOM 850 CG2 VAL A 53 1.228 -6.893 1.286 1.00 0.00 C ATOM 0 H VAL A 53 0.686 -7.641 4.085 1.00 0.00 H new ATOM 0 HA VAL A 53 1.208 -5.139 3.116 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.586 -7.369 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.174 -6.167 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.865 -5.385 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.429 -4.689 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.951 -7.419 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.816 -6.011 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.820 -7.554 1.920 1.00 0.00 H new ATOM 860 N GLU A 54 -1.995 -5.266 3.849 1.00 0.00 N ATOM 861 CA GLU A 54 -3.129 -4.453 4.257 1.00 0.00 C ATOM 862 C GLU A 54 -2.717 -3.485 5.367 1.00 0.00 C ATOM 863 O GLU A 54 -2.660 -2.275 5.151 1.00 0.00 O ATOM 864 CB GLU A 54 -4.301 -5.331 4.702 1.00 0.00 C ATOM 865 CG GLU A 54 -4.699 -6.314 3.598 1.00 0.00 C ATOM 866 CD GLU A 54 -6.082 -5.975 3.037 1.00 0.00 C ATOM 867 OE1 GLU A 54 -6.317 -4.772 2.796 1.00 0.00 O ATOM 868 OE2 GLU A 54 -6.871 -6.929 2.860 1.00 0.00 O ATOM 0 H GLU A 54 -2.220 -6.239 3.642 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.460 -3.869 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.027 -5.881 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.154 -4.703 4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.960 -6.286 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.702 -7.330 3.994 1.00 0.00 H new ATOM 875 N GLU A 55 -2.441 -4.054 6.532 1.00 0.00 N ATOM 876 CA GLU A 55 -2.034 -3.255 7.676 1.00 0.00 C ATOM 877 C GLU A 55 -1.029 -2.185 7.248 1.00 0.00 C ATOM 878 O GLU A 55 -1.012 -1.086 7.801 1.00 0.00 O ATOM 879 CB GLU A 55 -1.458 -4.138 8.784 1.00 0.00 C ATOM 880 CG GLU A 55 -2.437 -4.261 9.954 1.00 0.00 C ATOM 881 CD GLU A 55 -1.979 -3.414 11.143 1.00 0.00 C ATOM 882 OE1 GLU A 55 -2.296 -2.205 11.134 1.00 0.00 O ATOM 883 OE2 GLU A 55 -1.321 -3.995 12.034 1.00 0.00 O ATOM 0 H GLU A 55 -2.491 -5.057 6.708 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.916 -2.755 8.077 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.236 -5.128 8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.516 -3.717 9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.430 -3.942 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.519 -5.305 10.256 1.00 0.00 H new ATOM 890 N GLU A 56 -0.213 -2.544 6.267 1.00 0.00 N ATOM 891 CA GLU A 56 0.794 -1.629 5.759 1.00 0.00 C ATOM 892 C GLU A 56 0.135 -0.512 4.946 1.00 0.00 C ATOM 893 O GLU A 56 0.479 0.659 5.100 1.00 0.00 O ATOM 894 CB GLU A 56 1.839 -2.372 4.923 1.00 0.00 C ATOM 895 CG GLU A 56 3.242 -1.822 5.183 1.00 0.00 C ATOM 896 CD GLU A 56 3.560 -1.815 6.680 1.00 0.00 C ATOM 897 OE1 GLU A 56 3.607 -2.924 7.255 1.00 0.00 O ATOM 898 OE2 GLU A 56 3.748 -0.702 7.216 1.00 0.00 O ATOM 0 H GLU A 56 -0.229 -3.456 5.811 1.00 0.00 H new ATOM 0 HA GLU A 56 1.309 -1.179 6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.812 -3.435 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.598 -2.277 3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.978 -2.428 4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.319 -0.810 4.787 1.00 0.00 H new ATOM 905 N VAL A 57 -0.801 -0.914 4.099 1.00 0.00 N ATOM 906 CA VAL A 57 -1.511 0.037 3.262 1.00 0.00 C ATOM 907 C VAL A 57 -2.401 0.918 4.140 1.00 0.00 C ATOM 908 O VAL A 57 -2.760 2.029 3.751 1.00 0.00 O ATOM 909 CB VAL A 57 -2.292 -0.703 2.173 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.584 0.216 0.986 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.545 -1.961 1.723 1.00 0.00 C ATOM 0 H VAL A 57 -1.084 -1.886 3.975 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.807 0.693 2.750 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.247 -1.013 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.140 -0.335 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.176 1.068 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.645 0.571 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.121 -2.469 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.569 -1.682 1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.412 -2.629 2.574 1.00 0.00 H new ATOM 921 N LYS A 58 -2.731 0.391 5.311 1.00 0.00 N ATOM 922 CA LYS A 58 -3.571 1.116 6.249 1.00 0.00 C ATOM 923 C LYS A 58 -2.819 2.348 6.755 1.00 0.00 C ATOM 924 O LYS A 58 -3.306 3.470 6.633 1.00 0.00 O ATOM 925 CB LYS A 58 -4.053 0.187 7.365 1.00 0.00 C ATOM 926 CG LYS A 58 -5.421 0.624 7.890 1.00 0.00 C ATOM 927 CD LYS A 58 -6.491 -0.422 7.572 1.00 0.00 C ATOM 928 CE LYS A 58 -7.020 -1.073 8.851 1.00 0.00 C ATOM 929 NZ LYS A 58 -7.291 -2.511 8.627 1.00 0.00 N ATOM 0 H LYS A 58 -2.431 -0.530 5.631 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.473 1.475 5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.113 -0.835 6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.330 0.187 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.368 0.779 8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.697 1.579 7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.313 0.047 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.074 -1.186 6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.292 -0.955 9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.933 -0.570 9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.649 -2.938 9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.002 -2.617 7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.412 -2.990 8.343 1.00 0.00 H new ATOM 943 N LYS A 59 -1.643 2.097 7.311 1.00 0.00 N ATOM 944 CA LYS A 59 -0.818 3.171 7.835 1.00 0.00 C ATOM 945 C LYS A 59 -0.751 4.305 6.810 1.00 0.00 C ATOM 946 O LYS A 59 -0.528 5.460 7.169 1.00 0.00 O ATOM 947 CB LYS A 59 0.554 2.638 8.254 1.00 0.00 C ATOM 948 CG LYS A 59 1.299 3.661 9.114 1.00 0.00 C ATOM 949 CD LYS A 59 2.787 3.698 8.756 1.00 0.00 C ATOM 950 CE LYS A 59 3.651 3.784 10.014 1.00 0.00 C ATOM 951 NZ LYS A 59 3.989 2.429 10.505 1.00 0.00 N ATOM 0 H LYS A 59 -1.242 1.164 7.410 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.263 3.585 8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.433 1.709 8.811 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.144 2.404 7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.862 4.649 8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.181 3.410 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.051 2.805 8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.989 4.554 8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.565 4.337 9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.120 4.336 10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.576 2.506 11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.114 1.913 10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.514 1.914 9.770 1.00 0.00 H new ATOM 965 N LEU A 60 -0.948 3.935 5.553 1.00 0.00 N ATOM 966 CA LEU A 60 -0.914 4.905 4.473 1.00 0.00 C ATOM 967 C LEU A 60 -2.240 5.668 4.435 1.00 0.00 C ATOM 968 O LEU A 60 -2.297 6.840 4.799 1.00 0.00 O ATOM 969 CB LEU A 60 -0.559 4.223 3.150 1.00 0.00 C ATOM 970 CG LEU A 60 0.870 4.439 2.646 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.485 3.125 2.161 1.00 0.00 C ATOM 972 CD2 LEU A 60 0.913 5.524 1.569 1.00 0.00 C ATOM 0 H LEU A 60 -1.132 2.976 5.259 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.128 5.640 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.726 3.152 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.250 4.576 2.385 1.00 0.00 H new ATOM 0 HG LEU A 60 1.477 4.790 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.500 3.307 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.509 2.409 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.885 2.721 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.940 5.658 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.287 5.227 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.543 6.462 1.983 1.00 0.00 H new ATOM 984 N GLU A 61 -3.275 4.969 3.990 1.00 0.00 N ATOM 985 CA GLU A 61 -4.597 5.566 3.899 1.00 0.00 C ATOM 986 C GLU A 61 -4.830 6.520 5.072 1.00 0.00 C ATOM 987 O GLU A 61 -5.281 7.648 4.879 1.00 0.00 O ATOM 988 CB GLU A 61 -5.681 4.489 3.845 1.00 0.00 C ATOM 989 CG GLU A 61 -5.999 4.103 2.398 1.00 0.00 C ATOM 990 CD GLU A 61 -7.418 4.527 2.016 1.00 0.00 C ATOM 991 OE1 GLU A 61 -8.318 4.320 2.858 1.00 0.00 O ATOM 992 OE2 GLU A 61 -7.569 5.049 0.890 1.00 0.00 O ATOM 0 H GLU A 61 -3.225 3.996 3.689 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.653 6.139 2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.351 3.608 4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.584 4.852 4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.282 4.574 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.892 3.025 2.273 1.00 0.00 H new ATOM 999 N GLU A 62 -4.512 6.031 6.263 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.681 6.827 7.467 1.00 0.00 C ATOM 1001 C GLU A 62 -3.880 8.126 7.362 1.00 0.00 C ATOM 1002 O GLU A 62 -4.454 9.213 7.333 1.00 0.00 O ATOM 1003 CB GLU A 62 -4.278 6.032 8.710 1.00 0.00 C ATOM 1004 CG GLU A 62 -5.507 5.640 9.533 1.00 0.00 C ATOM 1005 CD GLU A 62 -5.609 6.488 10.803 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -4.829 6.206 11.738 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -6.466 7.399 10.809 1.00 0.00 O ATOM 0 H GLU A 62 -4.139 5.095 6.419 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.736 7.082 7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.734 5.135 8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.600 6.627 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.407 5.768 8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.449 4.585 9.800 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.565 7.970 7.309 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.678 9.117 7.209 1.00 0.00 C ATOM 1016 C GLU A 63 -2.060 9.979 6.004 1.00 0.00 C ATOM 1017 O GLU A 63 -2.169 11.199 6.118 1.00 0.00 O ATOM 1018 CB GLU A 63 -0.216 8.674 7.125 1.00 0.00 C ATOM 1019 CG GLU A 63 0.678 9.568 7.985 1.00 0.00 C ATOM 1020 CD GLU A 63 0.888 8.959 9.374 1.00 0.00 C ATOM 1021 OE1 GLU A 63 1.575 7.916 9.438 1.00 0.00 O ATOM 1022 OE2 GLU A 63 0.357 9.550 10.339 1.00 0.00 O ATOM 0 H GLU A 63 -2.092 7.066 7.333 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.790 9.718 8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.126 7.639 7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.119 8.708 6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.642 9.705 7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.226 10.555 8.081 1.00 0.00 H new ATOM 1029 N ILE A 64 -2.254 9.311 4.876 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.621 10.001 3.651 1.00 0.00 C ATOM 1031 C ILE A 64 -3.953 10.724 3.858 1.00 0.00 C ATOM 1032 O ILE A 64 -4.148 11.830 3.358 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.626 9.028 2.470 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -1.271 8.331 2.328 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -3.044 9.736 1.179 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -1.138 7.665 0.957 1.00 0.00 C ATOM 0 H ILE A 64 -2.164 8.299 4.785 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.880 10.762 3.405 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.367 8.254 2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.469 9.057 2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.159 7.582 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.039 9.023 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.047 10.147 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.344 10.543 0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.166 7.177 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.927 6.923 0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.226 8.420 0.176 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.837 10.069 4.596 1.00 0.00 N ATOM 1049 CA LYS A 65 -6.145 10.635 4.876 1.00 0.00 C ATOM 1050 C LYS A 65 -5.990 11.818 5.831 1.00 0.00 C ATOM 1051 O LYS A 65 -6.885 12.656 5.938 1.00 0.00 O ATOM 1052 CB LYS A 65 -7.100 9.553 5.386 1.00 0.00 C ATOM 1053 CG LYS A 65 -7.641 8.709 4.230 1.00 0.00 C ATOM 1054 CD LYS A 65 -8.295 7.425 4.747 1.00 0.00 C ATOM 1055 CE LYS A 65 -9.793 7.412 4.440 1.00 0.00 C ATOM 1056 NZ LYS A 65 -10.235 6.048 4.070 1.00 0.00 N ATOM 0 H LYS A 65 -4.673 9.151 5.009 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.597 11.020 3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.581 8.911 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.929 10.017 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.368 9.288 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.829 8.458 3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.818 6.559 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.140 7.341 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.351 7.758 5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.009 8.104 3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.057 6.109 3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.460 5.552 3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.498 5.523 4.929 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.849 11.850 6.503 1.00 0.00 N ATOM 1071 CA LYS A 66 -4.565 12.919 7.447 1.00 0.00 C ATOM 1072 C LYS A 66 -3.699 13.979 6.765 1.00 0.00 C ATOM 1073 O LYS A 66 -3.744 15.152 7.131 1.00 0.00 O ATOM 1074 CB LYS A 66 -3.949 12.351 8.728 1.00 0.00 C ATOM 1075 CG LYS A 66 -4.617 12.948 9.968 1.00 0.00 C ATOM 1076 CD LYS A 66 -3.580 13.571 10.904 1.00 0.00 C ATOM 1077 CE LYS A 66 -3.927 13.295 12.368 1.00 0.00 C ATOM 1078 NZ LYS A 66 -3.253 14.272 13.253 1.00 0.00 N ATOM 0 H LYS A 66 -4.110 11.153 6.413 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.487 13.412 7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.058 11.266 8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.880 12.564 8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.341 13.705 9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.169 12.171 10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.593 13.168 10.678 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.532 14.647 10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.006 13.352 12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.623 12.283 12.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.499 14.071 14.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.223 14.199 13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.563 15.234 13.008 1.00 0.00 H new ATOM 1092 N LEU A 67 -2.931 13.529 5.783 1.00 0.00 N ATOM 1093 CA LEU A 67 -2.056 14.425 5.047 1.00 0.00 C ATOM 1094 C LEU A 67 -2.893 15.530 4.400 1.00 0.00 C ATOM 1095 O LEU A 67 -2.864 15.704 3.182 1.00 0.00 O ATOM 1096 CB LEU A 67 -1.200 13.640 4.051 1.00 0.00 C ATOM 1097 CG LEU A 67 -0.011 12.880 4.643 1.00 0.00 C ATOM 1098 CD1 LEU A 67 0.321 11.643 3.807 1.00 0.00 C ATOM 1099 CD2 LEU A 67 1.200 13.801 4.808 1.00 0.00 C ATOM 0 H LEU A 67 -2.897 12.556 5.480 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.353 14.911 5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.841 12.926 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.825 14.334 3.299 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.290 12.531 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.170 11.122 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.542 10.977 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.572 11.947 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.031 13.237 5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.489 14.200 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.943 14.623 5.476 1.00 0.00 H new TER 1111 LEU A 67