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 (5 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+ -150:sc= -0.0963 (180deg=-0.652) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -122:sc= -0.0664 (180deg=-0.353) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0155) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.19) 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+ 172:sc= -0.912 (180deg=-1.04) USER MOD Single : A 38 LYS NZ :NH3+ 141:sc= -0.306 (180deg=-2.1!) 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+ -154:sc= 0.262 (180deg=-0.0572) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= -0.148 (180deg=-0.681) 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 Single : A 101 HTS O1 : rot -170:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.167 -2.467 12.829 1.00 0.00 N ATOM 2 CA GLY A 1 -17.929 -1.056 13.243 1.00 0.00 C ATOM 3 C GLY A 1 -16.908 -0.359 12.366 1.00 0.00 C ATOM 4 O GLY A 1 -17.268 0.365 11.438 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.872 -2.899 13.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.518 -2.487 11.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.277 -3.001 12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.870 -0.507 13.207 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.588 -1.037 14.278 1.00 0.00 H new ATOM 10 N SER A 2 -15.631 -0.578 12.659 1.00 0.00 N ATOM 11 CA SER A 2 -14.554 0.035 11.889 1.00 0.00 C ATOM 12 C SER A 2 -14.217 -0.804 10.661 1.00 0.00 C ATOM 13 O SER A 2 -14.848 -1.830 10.405 1.00 0.00 O ATOM 14 CB SER A 2 -13.308 0.206 12.761 1.00 0.00 C ATOM 15 OG SER A 2 -13.623 0.862 13.977 1.00 0.00 O ATOM 0 H SER A 2 -15.316 -1.175 13.424 1.00 0.00 H new ATOM 0 HA SER A 2 -14.893 1.016 11.555 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.872 -0.770 12.973 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.557 0.780 12.219 1.00 0.00 H new ATOM 0 HG SER A 2 -12.811 0.958 14.517 1.00 0.00 H new ATOM 21 N ARG A 3 -13.218 -0.361 9.905 1.00 0.00 N ATOM 22 CA ARG A 3 -12.796 -1.071 8.704 1.00 0.00 C ATOM 23 C ARG A 3 -11.517 -0.464 8.135 1.00 0.00 C ATOM 24 O ARG A 3 -10.610 -1.183 7.717 1.00 0.00 O ATOM 25 CB ARG A 3 -13.904 -1.036 7.648 1.00 0.00 C ATOM 26 CG ARG A 3 -13.668 -1.991 6.489 1.00 0.00 C ATOM 27 CD ARG A 3 -13.913 -1.315 5.149 1.00 0.00 C ATOM 28 NE ARG A 3 -15.307 -0.906 4.988 1.00 0.00 N ATOM 29 CZ ARG A 3 -16.289 -1.737 4.649 1.00 0.00 C ATOM 30 NH1 ARG A 3 -16.036 -3.022 4.433 1.00 0.00 N ATOM 31 NH2 ARG A 3 -17.528 -1.282 4.524 1.00 0.00 N ATOM 0 H ARG A 3 -12.686 0.486 10.103 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.596 -2.107 8.976 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.855 -1.281 8.122 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -13.993 -0.021 7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.645 -2.365 6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.326 -2.854 6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.267 -0.442 5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.640 -1.997 4.344 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.541 0.074 5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.084 -3.377 4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.793 -3.654 4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.728 -0.295 4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.281 -1.919 4.264 1.00 0.00 H new ATOM 45 N VAL A 4 -11.453 0.863 8.123 1.00 0.00 N ATOM 46 CA VAL A 4 -10.285 1.566 7.605 1.00 0.00 C ATOM 47 C VAL A 4 -9.067 1.346 8.497 1.00 0.00 C ATOM 48 O VAL A 4 -7.929 1.389 8.030 1.00 0.00 O ATOM 49 CB VAL A 4 -10.548 3.078 7.480 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.401 3.762 6.752 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.868 3.333 6.769 1.00 0.00 C ATOM 0 H VAL A 4 -12.195 1.473 8.466 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.085 1.156 6.615 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.614 3.501 8.483 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.605 4.830 6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.475 3.609 7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.299 3.338 5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -12.037 4.407 6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.834 2.896 5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.680 2.879 7.336 1.00 0.00 H new ATOM 61 N LYS A 5 -9.311 1.112 9.784 1.00 0.00 N ATOM 62 CA LYS A 5 -8.230 0.886 10.738 1.00 0.00 C ATOM 63 C LYS A 5 -7.381 -0.313 10.323 1.00 0.00 C ATOM 64 O LYS A 5 -6.166 -0.325 10.521 1.00 0.00 O ATOM 65 CB LYS A 5 -8.798 0.661 12.141 1.00 0.00 C ATOM 66 CG LYS A 5 -9.715 -0.547 12.240 1.00 0.00 C ATOM 67 CD LYS A 5 -9.996 -0.917 13.690 1.00 0.00 C ATOM 68 CE LYS A 5 -9.805 -2.405 13.933 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.527 -3.231 12.926 1.00 0.00 N ATOM 0 H LYS A 5 -10.246 1.074 10.189 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.596 1.773 10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.973 0.539 12.843 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.348 1.550 12.448 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.654 -0.335 11.729 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.258 -1.395 11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.333 -0.352 14.346 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.016 -0.633 13.948 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.742 -2.644 13.903 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.161 -2.658 14.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.811 -4.134 13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.373 -2.721 12.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.902 -3.416 12.116 1.00 0.00 H new ATOM 83 N ALA A 6 -8.031 -1.315 9.742 1.00 0.00 N ATOM 84 CA ALA A 6 -7.341 -2.519 9.291 1.00 0.00 C ATOM 85 C ALA A 6 -6.593 -2.267 7.987 1.00 0.00 C ATOM 86 O ALA A 6 -5.615 -2.946 7.679 1.00 0.00 O ATOM 87 CB ALA A 6 -8.329 -3.662 9.123 1.00 0.00 C ATOM 0 H ALA A 6 -9.037 -1.318 9.572 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.610 -2.795 10.051 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.800 -4.554 8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.814 -3.867 10.077 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.082 -3.386 8.385 1.00 0.00 H new ATOM 93 N LEU A 7 -7.063 -1.290 7.219 1.00 0.00 N ATOM 94 CA LEU A 7 -6.442 -0.949 5.944 1.00 0.00 C ATOM 95 C LEU A 7 -5.068 -0.317 6.153 1.00 0.00 C ATOM 96 O LEU A 7 -4.187 -0.427 5.301 1.00 0.00 O ATOM 97 CB LEU A 7 -7.343 0.010 5.163 1.00 0.00 C ATOM 98 CG LEU A 7 -7.444 -0.271 3.663 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.339 0.757 2.988 1.00 0.00 C ATOM 100 CD2 LEU A 7 -6.061 -0.276 3.029 1.00 0.00 C ATOM 0 H LEU A 7 -7.874 -0.719 7.458 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.311 -1.869 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.344 -0.027 5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.973 1.026 5.302 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.889 -1.256 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.400 0.542 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.337 0.713 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.923 1.754 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.151 -0.477 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.590 0.696 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.450 -1.050 3.494 1.00 0.00 H new ATOM 112 N GLU A 8 -4.895 0.353 7.289 1.00 0.00 N ATOM 113 CA GLU A 8 -3.632 1.012 7.606 1.00 0.00 C ATOM 114 C GLU A 8 -2.618 0.025 8.177 1.00 0.00 C ATOM 115 O GLU A 8 -1.443 0.051 7.813 1.00 0.00 O ATOM 116 CB GLU A 8 -3.865 2.151 8.601 1.00 0.00 C ATOM 117 CG GLU A 8 -4.960 3.115 8.178 1.00 0.00 C ATOM 118 CD GLU A 8 -5.567 3.861 9.350 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.652 3.272 10.448 1.00 0.00 O ATOM 120 OE2 GLU A 8 -5.957 5.034 9.170 1.00 0.00 O ATOM 0 H GLU A 8 -5.614 0.454 8.005 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.227 1.418 6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.121 1.727 9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.935 2.705 8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.551 3.834 7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.744 2.563 7.659 1.00 0.00 H new ATOM 127 N GLU A 9 -3.076 -0.838 9.077 1.00 0.00 N ATOM 128 CA GLU A 9 -2.202 -1.828 9.700 1.00 0.00 C ATOM 129 C GLU A 9 -1.707 -2.855 8.682 1.00 0.00 C ATOM 130 O GLU A 9 -0.710 -3.538 8.912 1.00 0.00 O ATOM 131 CB GLU A 9 -2.932 -2.531 10.850 1.00 0.00 C ATOM 132 CG GLU A 9 -3.970 -3.545 10.395 1.00 0.00 C ATOM 133 CD GLU A 9 -3.368 -4.907 10.112 1.00 0.00 C ATOM 134 OE1 GLU A 9 -2.516 -5.357 10.907 1.00 0.00 O ATOM 135 OE2 GLU A 9 -3.748 -5.526 9.095 1.00 0.00 O ATOM 0 H GLU A 9 -4.046 -0.873 9.392 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.332 -1.304 10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.198 -3.035 11.479 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.421 -1.779 11.470 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.738 -3.643 11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.464 -3.176 9.496 1.00 0.00 H new ATOM 142 N LYS A 10 -2.415 -2.965 7.561 1.00 0.00 N ATOM 143 CA LYS A 10 -2.050 -3.914 6.514 1.00 0.00 C ATOM 144 C LYS A 10 -0.816 -3.446 5.747 1.00 0.00 C ATOM 145 O LYS A 10 0.161 -4.180 5.620 1.00 0.00 O ATOM 146 CB LYS A 10 -3.223 -4.109 5.550 1.00 0.00 C ATOM 147 CG LYS A 10 -3.716 -5.545 5.473 1.00 0.00 C ATOM 148 CD LYS A 10 -4.674 -5.744 4.309 1.00 0.00 C ATOM 149 CE LYS A 10 -3.937 -5.773 2.980 1.00 0.00 C ATOM 150 NZ LYS A 10 -4.841 -5.473 1.836 1.00 0.00 N ATOM 0 H LYS A 10 -3.245 -2.409 7.355 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.811 -4.865 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.047 -3.467 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.922 -3.783 4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.865 -6.217 5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.215 -5.810 6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.222 -6.677 4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.410 -4.940 4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.124 -5.047 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.485 -6.754 2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.300 -5.503 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.603 -6.180 1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.253 -4.526 1.958 1.00 0.00 H new ATOM 164 N VAL A 11 -0.877 -2.222 5.232 1.00 0.00 N ATOM 165 CA VAL A 11 0.229 -1.651 4.468 1.00 0.00 C ATOM 166 C VAL A 11 1.500 -1.555 5.302 1.00 0.00 C ATOM 167 O VAL A 11 2.603 -1.616 4.771 1.00 0.00 O ATOM 168 CB VAL A 11 -0.125 -0.252 3.922 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.980 0.272 3.015 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.457 -0.288 3.187 1.00 0.00 C ATOM 0 H VAL A 11 -1.683 -1.604 5.330 1.00 0.00 H new ATOM 0 HA VAL A 11 0.407 -2.327 3.631 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.218 0.431 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.707 1.259 2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.911 0.341 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.114 -0.409 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.691 0.707 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.394 -0.988 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.242 -0.609 3.872 1.00 0.00 H new ATOM 180 N LYS A 12 1.333 -1.397 6.606 1.00 0.00 N ATOM 181 CA LYS A 12 2.466 -1.287 7.522 1.00 0.00 C ATOM 182 C LYS A 12 3.360 -2.518 7.429 1.00 0.00 C ATOM 183 O LYS A 12 4.585 -2.415 7.493 1.00 0.00 O ATOM 184 CB LYS A 12 1.974 -1.105 8.959 1.00 0.00 C ATOM 185 CG LYS A 12 3.091 -0.842 9.958 1.00 0.00 C ATOM 186 CD LYS A 12 3.029 -1.804 11.134 1.00 0.00 C ATOM 187 CE LYS A 12 1.987 -1.370 12.154 1.00 0.00 C ATOM 188 NZ LYS A 12 0.695 -2.086 11.966 1.00 0.00 N ATOM 0 H LYS A 12 0.421 -1.341 7.059 1.00 0.00 H new ATOM 0 HA LYS A 12 3.050 -0.413 7.234 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.268 -0.275 8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.429 -1.999 9.263 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.056 -0.938 9.459 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.021 0.183 10.322 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.793 -2.805 10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.007 -1.860 11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.363 -1.558 13.160 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.822 -0.296 12.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.065 -1.394 11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.765 -2.719 11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.481 -2.646 12.816 1.00 0.00 H new ATOM 202 N ALA A 13 2.740 -3.679 7.252 1.00 0.00 N ATOM 203 CA ALA A 13 3.485 -4.926 7.120 1.00 0.00 C ATOM 204 C ALA A 13 4.008 -5.058 5.696 1.00 0.00 C ATOM 205 O ALA A 13 4.995 -5.746 5.435 1.00 0.00 O ATOM 206 CB ALA A 13 2.605 -6.114 7.481 1.00 0.00 C ATOM 0 H ALA A 13 1.727 -3.783 7.197 1.00 0.00 H new ATOM 0 HA ALA A 13 4.330 -4.912 7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.177 -7.036 7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.263 -6.014 8.511 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.743 -6.145 6.814 1.00 0.00 H new ATOM 212 N LEU A 14 3.328 -4.371 4.788 1.00 0.00 N ATOM 213 CA LEU A 14 3.679 -4.358 3.380 1.00 0.00 C ATOM 214 C LEU A 14 5.035 -3.688 3.162 1.00 0.00 C ATOM 215 O LEU A 14 5.720 -3.952 2.174 1.00 0.00 O ATOM 216 CB LEU A 14 2.584 -3.618 2.610 1.00 0.00 C ATOM 217 CG LEU A 14 2.413 -4.026 1.147 1.00 0.00 C ATOM 218 CD1 LEU A 14 0.942 -3.993 0.762 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.221 -3.116 0.237 1.00 0.00 C ATOM 0 H LEU A 14 2.511 -3.803 5.013 1.00 0.00 H new ATOM 0 HA LEU A 14 3.758 -5.383 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.636 -3.772 3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.797 -2.550 2.648 1.00 0.00 H new ATOM 0 HG LEU A 14 2.784 -5.044 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.833 -4.285 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.385 -4.686 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.553 -2.984 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.085 -3.424 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.882 -2.087 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.277 -3.183 0.500 1.00 0.00 H new ATOM 231 N GLU A 15 5.408 -2.812 4.092 1.00 0.00 N ATOM 232 CA GLU A 15 6.670 -2.087 4.015 1.00 0.00 C ATOM 233 C GLU A 15 7.846 -2.991 4.376 1.00 0.00 C ATOM 234 O GLU A 15 8.861 -3.010 3.681 1.00 0.00 O ATOM 235 CB GLU A 15 6.621 -0.869 4.946 1.00 0.00 C ATOM 236 CG GLU A 15 7.974 -0.218 5.191 1.00 0.00 C ATOM 237 CD GLU A 15 7.885 0.987 6.106 1.00 0.00 C ATOM 238 OE1 GLU A 15 7.066 1.887 5.825 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.633 1.030 7.106 1.00 0.00 O ATOM 0 H GLU A 15 4.847 -2.587 4.914 1.00 0.00 H new ATOM 0 HA GLU A 15 6.816 -1.749 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.945 -0.127 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.198 -1.174 5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.652 -0.951 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.405 0.086 4.237 1.00 0.00 H new ATOM 246 N GLU A 16 7.703 -3.739 5.466 1.00 0.00 N ATOM 247 CA GLU A 16 8.757 -4.644 5.914 1.00 0.00 C ATOM 248 C GLU A 16 9.189 -5.582 4.789 1.00 0.00 C ATOM 249 O GLU A 16 10.329 -6.044 4.755 1.00 0.00 O ATOM 250 CB GLU A 16 8.280 -5.459 7.117 1.00 0.00 C ATOM 251 CG GLU A 16 8.025 -4.621 8.359 1.00 0.00 C ATOM 252 CD GLU A 16 9.254 -4.490 9.236 1.00 0.00 C ATOM 253 OE1 GLU A 16 10.270 -3.944 8.755 1.00 0.00 O ATOM 254 OE2 GLU A 16 9.201 -4.931 10.403 1.00 0.00 O ATOM 0 H GLU A 16 6.870 -3.737 6.054 1.00 0.00 H new ATOM 0 HA GLU A 16 9.616 -4.041 6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.363 -5.984 6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.026 -6.219 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.689 -3.628 8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.217 -5.071 8.937 1.00 0.00 H new ATOM 261 N LYS A 17 8.267 -5.857 3.870 1.00 0.00 N ATOM 262 CA LYS A 17 8.548 -6.737 2.743 1.00 0.00 C ATOM 263 C LYS A 17 9.391 -6.026 1.688 1.00 0.00 C ATOM 264 O LYS A 17 10.314 -6.608 1.120 1.00 0.00 O ATOM 265 CB LYS A 17 7.238 -7.230 2.122 1.00 0.00 C ATOM 266 CG LYS A 17 7.244 -8.712 1.783 1.00 0.00 C ATOM 267 CD LYS A 17 6.019 -9.102 0.969 1.00 0.00 C ATOM 268 CE LYS A 17 4.731 -8.799 1.717 1.00 0.00 C ATOM 269 NZ LYS A 17 4.085 -7.549 1.230 1.00 0.00 N ATOM 0 H LYS A 17 7.319 -5.482 3.885 1.00 0.00 H new ATOM 0 HA LYS A 17 9.115 -7.592 3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.420 -7.027 2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.038 -6.659 1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.147 -8.955 1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.273 -9.297 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.025 -8.564 0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.062 -10.165 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.039 -9.634 1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.943 -8.706 2.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.133 -7.467 1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.657 -6.729 1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.013 -7.577 0.193 1.00 0.00 H new ATOM 283 N VAL A 18 9.064 -4.763 1.429 1.00 0.00 N ATOM 284 CA VAL A 18 9.787 -3.972 0.439 1.00 0.00 C ATOM 285 C VAL A 18 11.115 -3.467 0.987 1.00 0.00 C ATOM 286 O VAL A 18 12.162 -3.643 0.363 1.00 0.00 O ATOM 287 CB VAL A 18 8.958 -2.767 -0.024 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.651 -2.048 -1.172 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.558 -3.203 -0.425 1.00 0.00 C ATOM 0 H VAL A 18 8.303 -4.266 1.891 1.00 0.00 H new ATOM 0 HA VAL A 18 9.975 -4.633 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 18 8.871 -2.070 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.047 -1.197 -1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.630 -1.697 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.774 -2.734 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.986 -2.334 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.621 -3.923 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.062 -3.665 0.429 1.00 0.00 H new ATOM 299 N LYS A 19 11.069 -2.829 2.153 1.00 0.00 N ATOM 300 CA LYS A 19 12.271 -2.289 2.779 1.00 0.00 C ATOM 301 C LYS A 19 13.387 -3.330 2.838 1.00 0.00 C ATOM 302 O LYS A 19 14.569 -2.990 2.778 1.00 0.00 O ATOM 303 CB LYS A 19 11.954 -1.788 4.188 1.00 0.00 C ATOM 304 CG LYS A 19 11.353 -0.393 4.211 1.00 0.00 C ATOM 305 CD LYS A 19 12.151 0.549 5.101 1.00 0.00 C ATOM 306 CE LYS A 19 12.021 0.175 6.570 1.00 0.00 C ATOM 307 NZ LYS A 19 11.221 1.175 7.330 1.00 0.00 N ATOM 0 H LYS A 19 10.212 -2.673 2.683 1.00 0.00 H new ATOM 0 HA LYS A 19 12.617 -1.456 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.262 -2.482 4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.868 -1.792 4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.319 0.006 3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.324 -0.446 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.201 0.523 4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.804 1.572 4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.552 -0.805 6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.014 0.092 7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.185 0.901 8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.663 2.112 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.255 1.211 6.946 1.00 0.00 H new ATOM 321 N ALA A 20 13.006 -4.597 2.956 1.00 0.00 N ATOM 322 CA ALA A 20 13.977 -5.685 3.024 1.00 0.00 C ATOM 323 C ALA A 20 14.296 -6.237 1.636 1.00 0.00 C ATOM 324 O ALA A 20 15.240 -7.007 1.467 1.00 0.00 O ATOM 325 CB ALA A 20 13.461 -6.795 3.928 1.00 0.00 C ATOM 0 H ALA A 20 12.032 -4.897 3.007 1.00 0.00 H new ATOM 0 HA ALA A 20 14.900 -5.284 3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.194 -7.600 3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.297 -6.401 4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.522 -7.180 3.531 1.00 0.00 H new ATOM 331 N LEU A 21 13.502 -5.839 0.646 1.00 0.00 N ATOM 332 CA LEU A 21 13.697 -6.293 -0.724 1.00 0.00 C ATOM 333 C LEU A 21 15.022 -5.785 -1.285 1.00 0.00 C ATOM 334 O LEU A 21 15.951 -6.560 -1.511 1.00 0.00 O ATOM 335 CB LEU A 21 12.538 -5.815 -1.601 1.00 0.00 C ATOM 336 CG LEU A 21 11.999 -6.851 -2.588 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.700 -6.365 -3.216 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.036 -7.155 -3.658 1.00 0.00 C ATOM 0 H LEU A 21 12.716 -5.201 0.769 1.00 0.00 H new ATOM 0 HA LEU A 21 13.723 -7.383 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.722 -5.494 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.864 -4.939 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 21 11.790 -7.772 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.331 -7.115 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.957 -6.201 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.880 -5.431 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.636 -7.894 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.278 -6.241 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.938 -7.548 -3.189 1.00 0.00 H new ATOM 350 N GLY A 22 15.101 -4.476 -1.507 1.00 0.00 N ATOM 351 CA GLY A 22 16.316 -3.887 -2.040 1.00 0.00 C ATOM 352 C GLY A 22 16.472 -4.129 -3.529 1.00 0.00 C ATOM 353 O GLY A 22 16.132 -5.201 -4.029 1.00 0.00 O ATOM 0 H GLY A 22 14.346 -3.814 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.311 -2.814 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.177 -4.301 -1.515 1.00 0.00 H new ATOM 357 N GLY A 23 16.988 -3.129 -4.238 1.00 0.00 N ATOM 358 CA GLY A 23 17.180 -3.259 -5.670 1.00 0.00 C ATOM 359 C GLY A 23 16.694 -2.043 -6.434 1.00 0.00 C ATOM 360 O GLY A 23 16.458 -0.987 -5.847 1.00 0.00 O ATOM 0 H GLY A 23 17.276 -2.232 -3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 23 18.238 -3.416 -5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.650 -4.143 -6.026 1.00 0.00 H new ATOM 364 N GLY A 24 16.545 -2.191 -7.747 1.00 0.00 N ATOM 365 CA GLY A 24 16.085 -1.089 -8.570 1.00 0.00 C ATOM 366 C GLY A 24 15.137 -1.538 -9.664 1.00 0.00 C ATOM 367 O GLY A 24 15.291 -2.626 -10.220 1.00 0.00 O ATOM 0 H GLY A 24 16.735 -3.055 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.585 -0.353 -7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.945 -0.592 -9.020 1.00 0.00 H new ATOM 371 N GLY A 25 14.154 -0.699 -9.975 1.00 0.00 N ATOM 372 CA GLY A 25 13.193 -1.033 -11.009 1.00 0.00 C ATOM 373 C GLY A 25 11.818 -1.343 -10.449 1.00 0.00 C ATOM 374 O GLY A 25 11.005 -0.442 -10.247 1.00 0.00 O ATOM 0 H GLY A 25 14.006 0.206 -9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.117 -0.203 -11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.555 -1.894 -11.572 1.00 0.00 H new ATOM 378 N ARG A 26 11.558 -2.623 -10.201 1.00 0.00 N ATOM 379 CA ARG A 26 10.273 -3.052 -9.663 1.00 0.00 C ATOM 380 C ARG A 26 10.050 -2.489 -8.262 1.00 0.00 C ATOM 381 O ARG A 26 9.043 -1.834 -8.001 1.00 0.00 O ATOM 382 CB ARG A 26 10.195 -4.582 -9.625 1.00 0.00 C ATOM 383 CG ARG A 26 8.883 -5.148 -10.151 1.00 0.00 C ATOM 384 CD ARG A 26 7.676 -4.494 -9.493 1.00 0.00 C ATOM 385 NE ARG A 26 6.759 -3.924 -10.476 1.00 0.00 N ATOM 386 CZ ARG A 26 5.884 -4.642 -11.176 1.00 0.00 C ATOM 387 NH1 ARG A 26 5.806 -5.956 -11.006 1.00 0.00 N ATOM 388 NH2 ARG A 26 5.083 -4.045 -12.048 1.00 0.00 N ATOM 0 H ARG A 26 12.221 -3.381 -10.364 1.00 0.00 H new ATOM 0 HA ARG A 26 9.491 -2.669 -10.318 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.017 -4.992 -10.212 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.338 -4.918 -8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.832 -5.002 -11.230 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.855 -6.223 -9.973 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.148 -5.232 -8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.013 -3.710 -8.815 1.00 0.00 H new ATOM 0 HE ARG A 26 6.791 -2.917 -10.635 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.419 -6.421 -10.336 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.133 -6.501 -11.545 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.137 -3.035 -12.182 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.412 -4.595 -12.584 1.00 0.00 H new ATOM 402 N ILE A 27 10.992 -2.759 -7.367 1.00 0.00 N ATOM 403 CA ILE A 27 10.901 -2.290 -5.987 1.00 0.00 C ATOM 404 C ILE A 27 10.800 -0.769 -5.913 1.00 0.00 C ATOM 405 O ILE A 27 10.206 -0.227 -4.982 1.00 0.00 O ATOM 406 CB ILE A 27 12.112 -2.758 -5.154 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.235 -4.281 -5.205 1.00 0.00 C ATOM 408 CG2 ILE A 27 11.987 -2.283 -3.712 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.200 -4.776 -6.260 1.00 0.00 C ATOM 0 H ILE A 27 11.831 -3.302 -7.572 1.00 0.00 H new ATOM 0 HA ILE A 27 9.991 -2.723 -5.572 1.00 0.00 H new ATOM 0 HB ILE A 27 13.014 -2.321 -5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.559 -4.644 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.251 -4.710 -5.394 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.851 -2.623 -3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.943 -1.194 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.077 -2.691 -3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.236 -5.865 -6.238 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.866 -4.444 -7.243 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.194 -4.376 -6.060 1.00 0.00 H new ATOM 421 N GLU A 28 11.388 -0.083 -6.887 1.00 0.00 N ATOM 422 CA GLU A 28 11.364 1.377 -6.914 1.00 0.00 C ATOM 423 C GLU A 28 9.934 1.907 -7.022 1.00 0.00 C ATOM 424 O GLU A 28 9.491 2.695 -6.187 1.00 0.00 O ATOM 425 CB GLU A 28 12.205 1.900 -8.081 1.00 0.00 C ATOM 426 CG GLU A 28 13.465 2.630 -7.642 1.00 0.00 C ATOM 427 CD GLU A 28 13.569 4.024 -8.231 1.00 0.00 C ATOM 428 OE1 GLU A 28 13.396 4.164 -9.460 1.00 0.00 O ATOM 429 OE2 GLU A 28 13.824 4.975 -7.463 1.00 0.00 O ATOM 0 H GLU A 28 11.886 -0.512 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 28 11.789 1.735 -5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.484 1.063 -8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.596 2.573 -8.684 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.481 2.698 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.338 2.049 -7.938 1.00 0.00 H new ATOM 436 N GLU A 29 9.219 1.474 -8.056 1.00 0.00 N ATOM 437 CA GLU A 29 7.842 1.910 -8.272 1.00 0.00 C ATOM 438 C GLU A 29 6.956 1.551 -7.081 1.00 0.00 C ATOM 439 O GLU A 29 5.946 2.208 -6.826 1.00 0.00 O ATOM 440 CB GLU A 29 7.280 1.276 -9.547 1.00 0.00 C ATOM 441 CG GLU A 29 5.840 1.669 -9.841 1.00 0.00 C ATOM 442 CD GLU A 29 5.695 2.430 -11.144 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.686 3.055 -11.579 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.592 2.403 -11.730 1.00 0.00 O ATOM 0 H GLU A 29 9.570 0.822 -8.758 1.00 0.00 H new ATOM 0 HA GLU A 29 7.847 2.995 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.906 1.564 -10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.341 0.191 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.223 0.771 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.461 2.282 -9.023 1.00 0.00 H new ATOM 451 N LEU A 30 7.338 0.503 -6.362 1.00 0.00 N ATOM 452 CA LEU A 30 6.580 0.048 -5.203 1.00 0.00 C ATOM 453 C LEU A 30 6.818 0.944 -3.992 1.00 0.00 C ATOM 454 O LEU A 30 6.015 0.963 -3.063 1.00 0.00 O ATOM 455 CB LEU A 30 6.966 -1.393 -4.855 1.00 0.00 C ATOM 456 CG LEU A 30 6.426 -2.461 -5.806 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.431 -3.592 -5.967 1.00 0.00 C ATOM 458 CD2 LEU A 30 5.096 -3.000 -5.300 1.00 0.00 C ATOM 0 H LEU A 30 8.172 -0.050 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 30 5.522 0.095 -5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.053 -1.465 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.612 -1.614 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 30 6.265 -2.003 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.028 -4.342 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.362 -3.196 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.623 -4.049 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.725 -3.759 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.234 -3.442 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.374 -2.186 -5.235 1.00 0.00 H new ATOM 470 N LYS A 31 7.934 1.666 -3.998 1.00 0.00 N ATOM 471 CA LYS A 31 8.289 2.545 -2.887 1.00 0.00 C ATOM 472 C LYS A 31 7.515 3.862 -2.924 1.00 0.00 C ATOM 473 O LYS A 31 6.809 4.199 -1.979 1.00 0.00 O ATOM 474 CB LYS A 31 9.791 2.828 -2.914 1.00 0.00 C ATOM 475 CG LYS A 31 10.272 3.689 -1.760 1.00 0.00 C ATOM 476 CD LYS A 31 11.605 3.198 -1.220 1.00 0.00 C ATOM 477 CE LYS A 31 12.358 4.305 -0.501 1.00 0.00 C ATOM 478 NZ LYS A 31 13.824 4.047 -0.464 1.00 0.00 N ATOM 0 H LYS A 31 8.610 1.660 -4.762 1.00 0.00 H new ATOM 0 HA LYS A 31 8.021 2.033 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.330 1.881 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.042 3.322 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.371 4.723 -2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.529 3.680 -0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.437 2.367 -0.535 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.213 2.817 -2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.169 5.256 -1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.980 4.399 0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.301 4.825 0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.007 3.153 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.190 3.983 -1.435 1.00 0.00 H new ATOM 492 N LYS A 32 7.670 4.610 -4.008 1.00 0.00 N ATOM 493 CA LYS A 32 7.004 5.902 -4.158 1.00 0.00 C ATOM 494 C LYS A 32 5.499 5.807 -3.902 1.00 0.00 C ATOM 495 O LYS A 32 4.905 6.706 -3.309 1.00 0.00 O ATOM 496 CB LYS A 32 7.258 6.463 -5.559 1.00 0.00 C ATOM 497 CG LYS A 32 8.420 7.441 -5.621 1.00 0.00 C ATOM 498 CD LYS A 32 7.936 8.882 -5.634 1.00 0.00 C ATOM 499 CE LYS A 32 7.737 9.392 -7.053 1.00 0.00 C ATOM 500 NZ LYS A 32 8.808 10.344 -7.456 1.00 0.00 N ATOM 0 H LYS A 32 8.254 4.345 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 32 7.424 6.574 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.453 5.637 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.355 6.962 -5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.075 7.284 -4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.013 7.247 -6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.997 8.956 -5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.658 9.514 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.723 8.549 -7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.767 9.883 -7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.636 10.668 -8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.806 11.161 -6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.732 9.868 -7.408 1.00 0.00 H new ATOM 514 N LYS A 33 4.889 4.725 -4.367 1.00 0.00 N ATOM 515 CA LYS A 33 3.451 4.522 -4.204 1.00 0.00 C ATOM 516 C LYS A 33 3.103 3.963 -2.825 1.00 0.00 C ATOM 517 O LYS A 33 1.981 4.123 -2.351 1.00 0.00 O ATOM 518 CB LYS A 33 2.921 3.589 -5.293 1.00 0.00 C ATOM 519 CG LYS A 33 1.475 3.858 -5.674 1.00 0.00 C ATOM 520 CD LYS A 33 0.981 2.873 -6.722 1.00 0.00 C ATOM 521 CE LYS A 33 1.039 1.441 -6.214 1.00 0.00 C ATOM 522 NZ LYS A 33 2.136 0.668 -6.858 1.00 0.00 N ATOM 0 H LYS A 33 5.367 3.971 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 33 2.974 5.498 -4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.546 3.688 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.012 2.558 -4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.846 3.792 -4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.382 4.875 -6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.044 3.120 -7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.587 2.965 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.183 1.445 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.086 0.948 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.230 -0.256 -6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.916 0.527 -7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.029 1.193 -6.769 1.00 0.00 H new ATOM 536 N CYS A 34 4.057 3.280 -2.200 1.00 0.00 N ATOM 537 CA CYS A 34 3.837 2.671 -0.888 1.00 0.00 C ATOM 538 C CYS A 34 3.517 3.707 0.194 1.00 0.00 C ATOM 539 O CYS A 34 2.483 3.622 0.855 1.00 0.00 O ATOM 540 CB CYS A 34 5.074 1.870 -0.476 1.00 0.00 C ATOM 541 SG CYS A 34 4.754 0.102 -0.177 1.00 0.00 S ATOM 0 H CYS A 34 4.992 3.133 -2.580 1.00 0.00 H new ATOM 0 HA CYS A 34 2.972 2.014 -0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.830 1.964 -1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.493 2.310 0.429 1.00 0.00 H new ATOM 546 N GLU A 35 4.420 4.665 0.392 1.00 0.00 N ATOM 547 CA GLU A 35 4.238 5.688 1.416 1.00 0.00 C ATOM 548 C GLU A 35 3.084 6.628 1.082 1.00 0.00 C ATOM 549 O GLU A 35 2.251 6.921 1.936 1.00 0.00 O ATOM 550 CB GLU A 35 5.526 6.489 1.613 1.00 0.00 C ATOM 551 CG GLU A 35 6.135 6.979 0.314 1.00 0.00 C ATOM 552 CD GLU A 35 6.426 8.467 0.329 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.470 8.863 0.890 1.00 0.00 O ATOM 554 OE2 GLU A 35 5.611 9.238 -0.221 1.00 0.00 O ATOM 0 H GLU A 35 5.284 4.753 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 35 3.991 5.174 2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.318 7.346 2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.254 5.869 2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.059 6.434 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.456 6.754 -0.509 1.00 0.00 H new ATOM 561 N GLU A 36 3.034 7.100 -0.159 1.00 0.00 N ATOM 562 CA GLU A 36 1.973 8.004 -0.588 1.00 0.00 C ATOM 563 C GLU A 36 0.600 7.407 -0.295 1.00 0.00 C ATOM 564 O GLU A 36 -0.378 8.127 -0.096 1.00 0.00 O ATOM 565 CB GLU A 36 2.103 8.310 -2.081 1.00 0.00 C ATOM 566 CG GLU A 36 1.339 9.551 -2.516 1.00 0.00 C ATOM 567 CD GLU A 36 2.053 10.324 -3.606 1.00 0.00 C ATOM 568 OE1 GLU A 36 2.757 9.690 -4.420 1.00 0.00 O ATOM 569 OE2 GLU A 36 1.908 11.564 -3.647 1.00 0.00 O ATOM 0 H GLU A 36 3.714 6.872 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 36 2.073 8.933 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.157 8.438 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.744 7.454 -2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.351 9.259 -2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.189 10.201 -1.654 1.00 0.00 H new ATOM 576 N LEU A 37 0.541 6.082 -0.285 1.00 0.00 N ATOM 577 CA LEU A 37 -0.699 5.360 -0.030 1.00 0.00 C ATOM 578 C LEU A 37 -1.112 5.463 1.437 1.00 0.00 C ATOM 579 O LEU A 37 -2.290 5.640 1.749 1.00 0.00 O ATOM 580 CB LEU A 37 -0.525 3.891 -0.434 1.00 0.00 C ATOM 581 CG LEU A 37 -1.591 2.925 0.087 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.989 3.460 -0.186 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.413 1.553 -0.544 1.00 0.00 C ATOM 0 H LEU A 37 1.347 5.480 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.492 5.811 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.510 3.833 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.449 3.551 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.470 2.832 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.729 2.755 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.114 4.421 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.127 3.587 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.178 0.876 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.507 1.636 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.427 1.163 -0.294 1.00 0.00 H new ATOM 595 N LYS A 38 -0.140 5.343 2.335 1.00 0.00 N ATOM 596 CA LYS A 38 -0.408 5.413 3.769 1.00 0.00 C ATOM 597 C LYS A 38 -1.077 6.733 4.151 1.00 0.00 C ATOM 598 O LYS A 38 -2.171 6.743 4.713 1.00 0.00 O ATOM 599 CB LYS A 38 0.892 5.238 4.558 1.00 0.00 C ATOM 600 CG LYS A 38 0.857 4.073 5.535 1.00 0.00 C ATOM 601 CD LYS A 38 1.801 2.957 5.112 1.00 0.00 C ATOM 602 CE LYS A 38 3.058 2.934 5.967 1.00 0.00 C ATOM 603 NZ LYS A 38 2.874 2.122 7.203 1.00 0.00 N ATOM 0 H LYS A 38 0.841 5.197 2.096 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.094 4.604 4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.715 5.091 3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.101 6.156 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.131 4.424 6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.159 3.685 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.289 1.998 5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.075 3.088 4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.885 2.528 5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.331 3.954 6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.743 1.585 7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.669 2.752 8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.082 1.462 7.070 1.00 0.00 H new ATOM 617 N LYS A 39 -0.410 7.843 3.847 1.00 0.00 N ATOM 618 CA LYS A 39 -0.935 9.168 4.162 1.00 0.00 C ATOM 619 C LYS A 39 -2.350 9.349 3.618 1.00 0.00 C ATOM 620 O LYS A 39 -3.144 10.111 4.168 1.00 0.00 O ATOM 621 CB LYS A 39 -0.011 10.251 3.593 1.00 0.00 C ATOM 622 CG LYS A 39 -0.100 10.404 2.083 1.00 0.00 C ATOM 623 CD LYS A 39 1.227 10.845 1.489 1.00 0.00 C ATOM 624 CE LYS A 39 1.508 12.310 1.780 1.00 0.00 C ATOM 625 NZ LYS A 39 2.715 12.799 1.058 1.00 0.00 N ATOM 0 H LYS A 39 0.498 7.851 3.382 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.976 9.263 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.255 11.205 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.018 10.017 3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.402 9.456 1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.871 11.133 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.031 10.231 1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.216 10.683 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.645 12.909 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.646 12.447 2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.872 13.802 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.544 12.244 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.573 12.693 0.033 1.00 0.00 H new ATOM 639 N LYS A 40 -2.657 8.647 2.531 1.00 0.00 N ATOM 640 CA LYS A 40 -3.974 8.734 1.912 1.00 0.00 C ATOM 641 C LYS A 40 -5.041 8.099 2.799 1.00 0.00 C ATOM 642 O LYS A 40 -6.201 8.509 2.778 1.00 0.00 O ATOM 643 CB LYS A 40 -3.962 8.058 0.541 1.00 0.00 C ATOM 644 CG LYS A 40 -5.009 8.603 -0.416 1.00 0.00 C ATOM 645 CD LYS A 40 -4.474 9.781 -1.215 1.00 0.00 C ATOM 646 CE LYS A 40 -4.948 9.735 -2.659 1.00 0.00 C ATOM 647 NZ LYS A 40 -6.195 10.523 -2.860 1.00 0.00 N ATOM 0 H LYS A 40 -2.011 8.012 2.061 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.218 9.789 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.975 8.179 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.123 6.988 0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.326 7.814 -1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.890 8.913 0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.800 10.713 -0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.384 9.776 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.165 10.123 -3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.122 8.699 -2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.485 10.466 -3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.950 10.138 -2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.023 11.517 -2.606 1.00 0.00 H new ATOM 661 N ILE A 41 -4.644 7.098 3.579 1.00 0.00 N ATOM 662 CA ILE A 41 -5.575 6.419 4.473 1.00 0.00 C ATOM 663 C ILE A 41 -5.897 7.293 5.679 1.00 0.00 C ATOM 664 O ILE A 41 -7.002 7.242 6.219 1.00 0.00 O ATOM 665 CB ILE A 41 -5.015 5.069 4.964 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.367 4.304 3.805 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.121 4.241 5.602 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.893 2.916 4.181 1.00 0.00 C ATOM 0 H ILE A 41 -3.689 6.741 3.610 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.484 6.231 3.901 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.250 5.261 5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.084 4.224 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.520 4.879 3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.712 3.290 5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.538 4.783 6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.906 4.055 4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.446 2.436 3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.151 2.988 4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.740 2.324 4.527 1.00 0.00 H new ATOM 680 N GLU A 42 -4.924 8.100 6.090 1.00 0.00 N ATOM 681 CA GLU A 42 -5.104 8.995 7.226 1.00 0.00 C ATOM 682 C GLU A 42 -6.095 10.102 6.883 1.00 0.00 C ATOM 683 O GLU A 42 -6.831 10.580 7.746 1.00 0.00 O ATOM 684 CB GLU A 42 -3.762 9.600 7.645 1.00 0.00 C ATOM 685 CG GLU A 42 -3.504 9.533 9.141 1.00 0.00 C ATOM 686 CD GLU A 42 -2.033 9.655 9.485 1.00 0.00 C ATOM 687 OE1 GLU A 42 -1.193 9.304 8.630 1.00 0.00 O ATOM 688 OE2 GLU A 42 -1.720 10.100 10.609 1.00 0.00 O ATOM 0 H GLU A 42 -4.004 8.152 5.653 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.504 8.417 8.059 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.959 9.079 7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.727 10.641 7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.057 10.331 9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.887 8.590 9.530 1.00 0.00 H new ATOM 695 N GLU A 43 -6.112 10.497 5.614 1.00 0.00 N ATOM 696 CA GLU A 43 -7.016 11.542 5.149 1.00 0.00 C ATOM 697 C GLU A 43 -8.439 11.002 5.031 1.00 0.00 C ATOM 698 O GLU A 43 -9.412 11.740 5.188 1.00 0.00 O ATOM 699 CB GLU A 43 -6.540 12.100 3.801 1.00 0.00 C ATOM 700 CG GLU A 43 -6.745 11.160 2.622 1.00 0.00 C ATOM 701 CD GLU A 43 -7.230 11.882 1.380 1.00 0.00 C ATOM 702 OE1 GLU A 43 -8.444 12.166 1.294 1.00 0.00 O ATOM 703 OE2 GLU A 43 -6.397 12.165 0.494 1.00 0.00 O ATOM 0 H GLU A 43 -5.509 10.108 4.889 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.014 12.352 5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.067 13.033 3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.480 12.343 3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.807 10.652 2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.467 10.391 2.896 1.00 0.00 H new ATOM 710 N LEU A 44 -8.544 9.709 4.750 1.00 0.00 N ATOM 711 CA LEU A 44 -9.837 9.053 4.606 1.00 0.00 C ATOM 712 C LEU A 44 -10.651 9.164 5.890 1.00 0.00 C ATOM 713 O LEU A 44 -10.144 9.600 6.924 1.00 0.00 O ATOM 714 CB LEU A 44 -9.636 7.580 4.235 1.00 0.00 C ATOM 715 CG LEU A 44 -9.839 7.253 2.754 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.656 5.763 2.508 1.00 0.00 C ATOM 717 CD2 LEU A 44 -11.214 7.709 2.292 1.00 0.00 C ATOM 0 H LEU A 44 -7.744 9.091 4.617 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.389 9.552 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.627 7.283 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.326 6.975 4.823 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.088 7.790 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.804 5.548 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.649 5.467 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.384 5.205 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.341 7.469 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.981 7.200 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.306 8.786 2.433 1.00 0.00 H new ATOM 729 N GLY A 45 -11.918 8.769 5.818 1.00 0.00 N ATOM 730 CA GLY A 45 -12.782 8.833 6.981 1.00 0.00 C ATOM 731 C GLY A 45 -13.772 7.685 7.034 1.00 0.00 C ATOM 732 O GLY A 45 -13.631 6.773 7.849 1.00 0.00 O ATOM 0 H GLY A 45 -12.361 8.406 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.171 8.824 7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.326 9.777 6.974 1.00 0.00 H new ATOM 736 N GLY A 46 -14.775 7.731 6.164 1.00 0.00 N ATOM 737 CA GLY A 46 -15.776 6.681 6.131 1.00 0.00 C ATOM 738 C GLY A 46 -16.896 6.976 5.152 1.00 0.00 C ATOM 739 O GLY A 46 -18.068 6.746 5.451 1.00 0.00 O ATOM 0 H GLY A 46 -14.913 8.476 5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.300 5.738 5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.195 6.552 7.129 1.00 0.00 H new ATOM 743 N GLY A 47 -16.534 7.486 3.979 1.00 0.00 N ATOM 744 CA GLY A 47 -17.528 7.803 2.971 1.00 0.00 C ATOM 745 C GLY A 47 -17.525 6.814 1.822 1.00 0.00 C ATOM 746 O GLY A 47 -17.663 5.609 2.031 1.00 0.00 O ATOM 0 H GLY A 47 -15.571 7.685 3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.516 7.817 3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.342 8.805 2.584 1.00 0.00 H new ATOM 750 N GLY A 48 -17.365 7.323 0.604 1.00 0.00 N ATOM 751 CA GLY A 48 -17.345 6.463 -0.564 1.00 0.00 C ATOM 752 C GLY A 48 -15.961 6.345 -1.171 1.00 0.00 C ATOM 753 O GLY A 48 -15.624 5.323 -1.771 1.00 0.00 O ATOM 0 H GLY A 48 -17.249 8.317 0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.703 5.471 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -18.035 6.854 -1.312 1.00 0.00 H new ATOM 757 N GLU A 49 -15.159 7.392 -1.017 1.00 0.00 N ATOM 758 CA GLU A 49 -13.802 7.403 -1.556 1.00 0.00 C ATOM 759 C GLU A 49 -12.952 6.300 -0.929 1.00 0.00 C ATOM 760 O GLU A 49 -11.917 5.918 -1.476 1.00 0.00 O ATOM 761 CB GLU A 49 -13.148 8.764 -1.314 1.00 0.00 C ATOM 762 CG GLU A 49 -12.032 9.085 -2.294 1.00 0.00 C ATOM 763 CD GLU A 49 -11.256 10.329 -1.908 1.00 0.00 C ATOM 764 OE1 GLU A 49 -10.620 10.321 -0.833 1.00 0.00 O ATOM 765 OE2 GLU A 49 -11.285 11.311 -2.679 1.00 0.00 O ATOM 0 H GLU A 49 -15.424 8.245 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.865 7.220 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.910 9.541 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.749 8.791 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.348 8.238 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.455 9.220 -3.289 1.00 0.00 H new ATOM 772 N VAL A 50 -13.392 5.790 0.220 1.00 0.00 N ATOM 773 CA VAL A 50 -12.667 4.732 0.917 1.00 0.00 C ATOM 774 C VAL A 50 -12.354 3.564 -0.013 1.00 0.00 C ATOM 775 O VAL A 50 -11.369 2.851 0.180 1.00 0.00 O ATOM 776 CB VAL A 50 -13.466 4.207 2.126 1.00 0.00 C ATOM 777 CG1 VAL A 50 -12.616 3.258 2.960 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.977 5.364 2.971 1.00 0.00 C ATOM 0 H VAL A 50 -14.247 6.093 0.687 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.733 5.172 1.266 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.327 3.651 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.198 2.899 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.308 2.411 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.733 3.784 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -14.539 4.974 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.133 5.951 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -14.626 5.997 2.366 1.00 0.00 H new ATOM 788 N LYS A 51 -13.196 3.375 -1.024 1.00 0.00 N ATOM 789 CA LYS A 51 -13.006 2.293 -1.983 1.00 0.00 C ATOM 790 C LYS A 51 -11.851 2.600 -2.931 1.00 0.00 C ATOM 791 O LYS A 51 -11.182 1.693 -3.425 1.00 0.00 O ATOM 792 CB LYS A 51 -14.290 2.063 -2.784 1.00 0.00 C ATOM 793 CG LYS A 51 -15.468 1.620 -1.931 1.00 0.00 C ATOM 794 CD LYS A 51 -15.875 0.187 -2.236 1.00 0.00 C ATOM 795 CE LYS A 51 -16.146 -0.600 -0.963 1.00 0.00 C ATOM 796 NZ LYS A 51 -14.890 -0.932 -0.237 1.00 0.00 N ATOM 0 H LYS A 51 -14.015 3.956 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.764 1.387 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.554 2.984 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.102 1.309 -3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.207 1.708 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.314 2.284 -2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.767 0.187 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.086 -0.303 -2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.800 -0.021 -0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.676 -1.520 -1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.035 -1.789 0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.126 -1.098 -0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.630 -0.141 0.386 1.00 0.00 H new ATOM 810 N LYS A 52 -11.623 3.886 -3.181 1.00 0.00 N ATOM 811 CA LYS A 52 -10.549 4.313 -4.071 1.00 0.00 C ATOM 812 C LYS A 52 -9.185 3.911 -3.514 1.00 0.00 C ATOM 813 O LYS A 52 -8.419 3.211 -4.173 1.00 0.00 O ATOM 814 CB LYS A 52 -10.608 5.831 -4.276 1.00 0.00 C ATOM 815 CG LYS A 52 -9.405 6.398 -5.015 1.00 0.00 C ATOM 816 CD LYS A 52 -9.665 7.816 -5.497 1.00 0.00 C ATOM 817 CE LYS A 52 -10.497 7.827 -6.769 1.00 0.00 C ATOM 818 NZ LYS A 52 -9.806 7.134 -7.892 1.00 0.00 N ATOM 0 H LYS A 52 -12.167 4.650 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.684 3.817 -5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.513 6.078 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.687 6.317 -3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.536 6.390 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.166 5.761 -5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.181 8.377 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.716 8.320 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.456 7.344 -6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.710 8.857 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.195 7.467 -8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.788 7.343 -7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.952 6.108 -7.809 1.00 0.00 H new ATOM 832 N VAL A 53 -8.891 4.361 -2.299 1.00 0.00 N ATOM 833 CA VAL A 53 -7.620 4.050 -1.655 1.00 0.00 C ATOM 834 C VAL A 53 -7.454 2.546 -1.462 1.00 0.00 C ATOM 835 O VAL A 53 -6.336 2.031 -1.464 1.00 0.00 O ATOM 836 CB VAL A 53 -7.495 4.748 -0.287 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.110 4.529 0.304 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.797 6.235 -0.416 1.00 0.00 C ATOM 0 H VAL A 53 -9.516 4.942 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.835 4.418 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.227 4.308 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.043 5.030 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.936 3.461 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.358 4.939 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.704 6.711 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.092 6.691 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.812 6.369 -0.790 1.00 0.00 H new ATOM 848 N GLU A 54 -8.571 1.845 -1.297 1.00 0.00 N ATOM 849 CA GLU A 54 -8.545 0.400 -1.105 1.00 0.00 C ATOM 850 C GLU A 54 -7.974 -0.297 -2.335 1.00 0.00 C ATOM 851 O GLU A 54 -7.326 -1.339 -2.227 1.00 0.00 O ATOM 852 CB GLU A 54 -9.952 -0.123 -0.813 1.00 0.00 C ATOM 853 CG GLU A 54 -9.974 -1.322 0.121 1.00 0.00 C ATOM 854 CD GLU A 54 -11.382 -1.772 0.457 1.00 0.00 C ATOM 855 OE1 GLU A 54 -12.282 -1.590 -0.390 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.585 -2.309 1.566 1.00 0.00 O ATOM 0 H GLU A 54 -9.505 2.254 -1.292 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.902 0.181 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.545 0.680 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.431 -0.396 -1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.433 -2.148 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.447 -1.071 1.042 1.00 0.00 H new ATOM 863 N GLU A 55 -8.217 0.287 -3.502 1.00 0.00 N ATOM 864 CA GLU A 55 -7.730 -0.270 -4.758 1.00 0.00 C ATOM 865 C GLU A 55 -6.254 0.062 -4.965 1.00 0.00 C ATOM 866 O GLU A 55 -5.533 -0.673 -5.638 1.00 0.00 O ATOM 867 CB GLU A 55 -8.553 0.265 -5.931 1.00 0.00 C ATOM 868 CG GLU A 55 -8.162 -0.332 -7.272 1.00 0.00 C ATOM 869 CD GLU A 55 -8.661 0.491 -8.444 1.00 0.00 C ATOM 870 OE1 GLU A 55 -7.954 1.437 -8.849 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.759 0.187 -8.957 1.00 0.00 O ATOM 0 H GLU A 55 -8.751 1.150 -3.605 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.838 -1.354 -4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.608 0.062 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.441 1.348 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.076 -0.414 -7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.562 -1.343 -7.346 1.00 0.00 H new ATOM 878 N GLU A 56 -5.817 1.176 -4.387 1.00 0.00 N ATOM 879 CA GLU A 56 -4.432 1.614 -4.509 1.00 0.00 C ATOM 880 C GLU A 56 -3.486 0.688 -3.747 1.00 0.00 C ATOM 881 O GLU A 56 -2.319 0.542 -4.111 1.00 0.00 O ATOM 882 CB GLU A 56 -4.286 3.046 -3.986 1.00 0.00 C ATOM 883 CG GLU A 56 -4.639 4.109 -5.013 1.00 0.00 C ATOM 884 CD GLU A 56 -5.147 5.388 -4.377 1.00 0.00 C ATOM 885 OE1 GLU A 56 -4.946 5.566 -3.157 1.00 0.00 O ATOM 886 OE2 GLU A 56 -5.744 6.213 -5.099 1.00 0.00 O ATOM 0 H GLU A 56 -6.405 1.794 -3.827 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.163 1.582 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.925 3.171 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.259 3.200 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.759 4.332 -5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.399 3.717 -5.690 1.00 0.00 H new ATOM 893 N VAL A 57 -3.995 0.066 -2.689 1.00 0.00 N ATOM 894 CA VAL A 57 -3.192 -0.841 -1.875 1.00 0.00 C ATOM 895 C VAL A 57 -3.145 -2.235 -2.490 1.00 0.00 C ATOM 896 O VAL A 57 -2.206 -2.993 -2.260 1.00 0.00 O ATOM 897 CB VAL A 57 -3.740 -0.948 -0.438 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.723 -1.621 0.472 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.122 0.425 0.098 1.00 0.00 C ATOM 0 H VAL A 57 -4.959 0.173 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.185 -0.424 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.639 -1.563 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.127 -1.688 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.509 -2.623 0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.804 -1.035 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.506 0.325 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.244 1.070 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.890 0.864 -0.539 1.00 0.00 H new ATOM 909 N LYS A 58 -4.171 -2.564 -3.263 1.00 0.00 N ATOM 910 CA LYS A 58 -4.261 -3.865 -3.911 1.00 0.00 C ATOM 911 C LYS A 58 -3.314 -3.960 -5.106 1.00 0.00 C ATOM 912 O LYS A 58 -2.860 -5.046 -5.463 1.00 0.00 O ATOM 913 CB LYS A 58 -5.697 -4.121 -4.364 1.00 0.00 C ATOM 914 CG LYS A 58 -6.470 -5.052 -3.443 1.00 0.00 C ATOM 915 CD LYS A 58 -7.934 -4.655 -3.351 1.00 0.00 C ATOM 916 CE LYS A 58 -8.711 -5.598 -2.447 1.00 0.00 C ATOM 917 NZ LYS A 58 -9.942 -4.959 -1.904 1.00 0.00 N ATOM 0 H LYS A 58 -4.957 -1.944 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.965 -4.624 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.224 -3.169 -4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.682 -4.546 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.392 -6.076 -3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.024 -5.035 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.013 -3.637 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.376 -4.658 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.983 -6.494 -3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.074 -5.917 -1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.443 -5.635 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.681 -4.118 -1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.562 -4.677 -2.690 1.00 0.00 H new ATOM 931 N LYS A 59 -3.036 -2.820 -5.730 1.00 0.00 N ATOM 932 CA LYS A 59 -2.159 -2.780 -6.896 1.00 0.00 C ATOM 933 C LYS A 59 -0.692 -2.911 -6.502 1.00 0.00 C ATOM 934 O LYS A 59 0.089 -3.549 -7.205 1.00 0.00 O ATOM 935 CB LYS A 59 -2.370 -1.481 -7.677 1.00 0.00 C ATOM 936 CG LYS A 59 -1.575 -1.414 -8.971 1.00 0.00 C ATOM 937 CD LYS A 59 -0.344 -0.531 -8.826 1.00 0.00 C ATOM 938 CE LYS A 59 -0.611 0.885 -9.313 1.00 0.00 C ATOM 939 NZ LYS A 59 0.468 1.373 -10.216 1.00 0.00 N ATOM 0 H LYS A 59 -3.405 -1.912 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.417 -3.630 -7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.430 -1.372 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.092 -0.637 -7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.271 -2.419 -9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.209 -1.027 -9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.035 -0.505 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.482 -0.961 -9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.566 0.915 -9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.698 1.553 -8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.249 2.341 -10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.375 1.369 -9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.534 0.750 -11.046 1.00 0.00 H new ATOM 953 N LEU A 60 -0.315 -2.298 -5.384 1.00 0.00 N ATOM 954 CA LEU A 60 1.068 -2.354 -4.923 1.00 0.00 C ATOM 955 C LEU A 60 1.386 -3.697 -4.278 1.00 0.00 C ATOM 956 O LEU A 60 2.538 -4.125 -4.261 1.00 0.00 O ATOM 957 CB LEU A 60 1.361 -1.224 -3.937 1.00 0.00 C ATOM 958 CG LEU A 60 2.849 -0.997 -3.667 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.180 0.483 -3.665 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.254 -1.642 -2.352 1.00 0.00 C ATOM 0 H LEU A 60 -0.942 -1.761 -4.785 1.00 0.00 H new ATOM 0 HA LEU A 60 1.705 -2.233 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.928 -0.300 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.861 -1.442 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 60 3.417 -1.466 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.244 0.618 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.931 0.913 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.603 0.984 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.316 -1.471 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.675 -1.204 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.062 -2.714 -2.398 1.00 0.00 H new ATOM 972 N GLU A 61 0.365 -4.362 -3.752 1.00 0.00 N ATOM 973 CA GLU A 61 0.550 -5.658 -3.114 1.00 0.00 C ATOM 974 C GLU A 61 0.926 -6.709 -4.152 1.00 0.00 C ATOM 975 O GLU A 61 1.961 -7.365 -4.043 1.00 0.00 O ATOM 976 CB GLU A 61 -0.725 -6.072 -2.379 1.00 0.00 C ATOM 977 CG GLU A 61 -0.466 -6.704 -1.022 1.00 0.00 C ATOM 978 CD GLU A 61 -1.602 -7.603 -0.571 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.747 -7.114 -0.488 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.343 -8.794 -0.301 1.00 0.00 O ATOM 0 H GLU A 61 -0.598 -4.026 -3.755 1.00 0.00 H new ATOM 0 HA GLU A 61 1.361 -5.578 -2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.359 -5.196 -2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.279 -6.777 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.456 -7.284 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.314 -5.918 -0.282 1.00 0.00 H new ATOM 987 N GLU A 62 0.079 -6.851 -5.165 1.00 0.00 N ATOM 988 CA GLU A 62 0.318 -7.807 -6.236 1.00 0.00 C ATOM 989 C GLU A 62 1.601 -7.466 -6.990 1.00 0.00 C ATOM 990 O GLU A 62 2.245 -8.340 -7.569 1.00 0.00 O ATOM 991 CB GLU A 62 -0.868 -7.820 -7.203 1.00 0.00 C ATOM 992 CG GLU A 62 -1.200 -9.201 -7.739 1.00 0.00 C ATOM 993 CD GLU A 62 -2.425 -9.202 -8.634 1.00 0.00 C ATOM 994 OE1 GLU A 62 -2.356 -8.616 -9.735 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.452 -9.788 -8.233 1.00 0.00 O ATOM 0 H GLU A 62 -0.782 -6.313 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 62 0.430 -8.797 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.744 -7.416 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.651 -7.157 -8.040 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.346 -9.584 -8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.365 -9.881 -6.903 1.00 0.00 H new ATOM 1002 N GLU A 63 1.962 -6.186 -6.977 1.00 0.00 N ATOM 1003 CA GLU A 63 3.164 -5.721 -7.657 1.00 0.00 C ATOM 1004 C GLU A 63 4.408 -6.402 -7.096 1.00 0.00 C ATOM 1005 O GLU A 63 5.251 -6.894 -7.847 1.00 0.00 O ATOM 1006 CB GLU A 63 3.287 -4.198 -7.527 1.00 0.00 C ATOM 1007 CG GLU A 63 2.768 -3.441 -8.740 1.00 0.00 C ATOM 1008 CD GLU A 63 3.726 -2.364 -9.210 1.00 0.00 C ATOM 1009 OE1 GLU A 63 4.948 -2.530 -9.017 1.00 0.00 O ATOM 1010 OE2 GLU A 63 3.251 -1.352 -9.770 1.00 0.00 O ATOM 0 H GLU A 63 1.437 -5.452 -6.502 1.00 0.00 H new ATOM 0 HA GLU A 63 3.082 -5.982 -8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.739 -3.871 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.333 -3.938 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.591 -4.144 -9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.808 -2.987 -8.496 1.00 0.00 H new ATOM 1017 N ILE A 64 4.515 -6.433 -5.773 1.00 0.00 N ATOM 1018 CA ILE A 64 5.651 -7.060 -5.113 1.00 0.00 C ATOM 1019 C ILE A 64 5.659 -8.568 -5.347 1.00 0.00 C ATOM 1020 O ILE A 64 6.704 -9.213 -5.267 1.00 0.00 O ATOM 1021 CB ILE A 64 5.637 -6.795 -3.595 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.393 -5.311 -3.312 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.943 -7.256 -2.965 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.448 -4.954 -1.841 1.00 0.00 C ATOM 0 H ILE A 64 3.827 -6.030 -5.136 1.00 0.00 H new ATOM 0 HA ILE A 64 6.549 -6.619 -5.546 1.00 0.00 H new ATOM 0 HB ILE A 64 4.821 -7.365 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.137 -4.721 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.417 -5.030 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.918 -7.062 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.073 -8.324 -3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.775 -6.712 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.266 -3.886 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.686 -5.516 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.432 -5.202 -1.443 1.00 0.00 H new ATOM 1036 N LYS A 65 4.485 -9.124 -5.631 1.00 0.00 N ATOM 1037 CA LYS A 65 4.356 -10.556 -5.871 1.00 0.00 C ATOM 1038 C LYS A 65 5.150 -10.977 -7.103 1.00 0.00 C ATOM 1039 O LYS A 65 5.695 -12.079 -7.156 1.00 0.00 O ATOM 1040 CB LYS A 65 2.882 -10.936 -6.039 1.00 0.00 C ATOM 1041 CG LYS A 65 2.330 -11.754 -4.883 1.00 0.00 C ATOM 1042 CD LYS A 65 2.167 -10.907 -3.630 1.00 0.00 C ATOM 1043 CE LYS A 65 2.358 -11.734 -2.370 1.00 0.00 C ATOM 1044 NZ LYS A 65 2.812 -10.901 -1.222 1.00 0.00 N ATOM 0 H LYS A 65 3.610 -8.604 -5.700 1.00 0.00 H new ATOM 0 HA LYS A 65 4.762 -11.082 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.291 -10.027 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.764 -11.502 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.367 -12.179 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.999 -12.589 -4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.890 -10.092 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.176 -10.454 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.420 -12.226 -2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.089 -12.520 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.930 -11.503 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.720 -10.452 -1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.103 -10.166 -1.024 1.00 0.00 H new ATOM 1058 N LYS A 66 5.213 -10.092 -8.092 1.00 0.00 N ATOM 1059 CA LYS A 66 5.943 -10.372 -9.323 1.00 0.00 C ATOM 1060 C LYS A 66 7.437 -10.505 -9.046 1.00 0.00 C ATOM 1061 O LYS A 66 8.016 -11.580 -9.209 1.00 0.00 O ATOM 1062 CB LYS A 66 5.699 -9.264 -10.349 1.00 0.00 C ATOM 1063 CG LYS A 66 4.230 -9.052 -10.677 1.00 0.00 C ATOM 1064 CD LYS A 66 3.841 -9.751 -11.969 1.00 0.00 C ATOM 1065 CE LYS A 66 2.463 -10.386 -11.866 1.00 0.00 C ATOM 1066 NZ LYS A 66 2.541 -11.868 -11.750 1.00 0.00 N ATOM 0 H LYS A 66 4.767 -9.175 -8.065 1.00 0.00 H new ATOM 0 HA LYS A 66 5.579 -11.317 -9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.117 -8.331 -9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.237 -9.505 -11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.616 -9.429 -9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.026 -7.985 -10.764 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.852 -9.034 -12.790 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.579 -10.517 -12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.941 -9.981 -10.999 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.875 -10.121 -12.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.581 -12.262 -11.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.016 -12.257 -12.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.080 -12.122 -10.898 1.00 0.00 H new ATOM 1080 N LEU A 67 8.054 -9.407 -8.624 1.00 0.00 N ATOM 1081 CA LEU A 67 9.475 -9.392 -8.321 1.00 0.00 C ATOM 1082 C LEU A 67 9.824 -10.445 -7.274 1.00 0.00 C ATOM 1083 O LEU A 67 8.897 -11.133 -6.797 1.00 0.00 O ATOM 1084 CB LEU A 67 9.884 -8.006 -7.825 1.00 0.00 C ATOM 1085 CG LEU A 67 9.012 -7.431 -6.706 1.00 0.00 C ATOM 1086 CD1 LEU A 67 9.344 -8.090 -5.377 1.00 0.00 C ATOM 1087 CD2 LEU A 67 9.193 -5.923 -6.614 1.00 0.00 C ATOM 1088 OXT LEU A 67 11.021 -10.574 -6.940 1.00 0.00 O ATOM 0 H LEU A 67 7.586 -8.512 -8.484 1.00 0.00 H new ATOM 0 HA LEU A 67 10.023 -9.627 -9.234 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.915 -8.053 -7.473 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.866 -7.316 -8.669 1.00 0.00 H new ATOM 0 HG LEU A 67 7.968 -7.640 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.714 -7.668 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.165 -9.163 -5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.392 -7.912 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.566 -5.529 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.238 -5.694 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.905 -5.464 -7.560 1.00 0.00 H new TER 1100 LEU A 67 HETATM 1101 C6 HTS A 101 7.937 2.291 3.138 1.00 0.00 C HETATM 1102 C1 HTS A 101 6.735 1.667 2.878 1.00 0.00 C HETATM 1103 C2 HTS A 101 6.680 0.558 2.041 1.00 0.00 C HETATM 1104 C3 HTS A 101 7.850 0.082 1.469 1.00 0.00 C HETATM 1105 C4 HTS A 101 9.056 0.702 1.728 1.00 0.00 C HETATM 1106 C5 HTS A 101 9.101 1.807 2.562 1.00 0.00 C HETATM 1107 O1 HTS A 101 5.568 2.134 3.441 1.00 0.00 O HETATM 1108 S1 HTS A 101 5.091 -0.118 1.811 1.00 0.00 S HETATM 0 HO1 HTS A 101 4.847 1.490 3.281 1.00 0.00 H new HETATM 0 H6 HTS A 101 7.971 3.161 3.794 1.00 0.00 H new HETATM 0 H5 HTS A 101 10.053 2.297 2.766 1.00 0.00 H new HETATM 0 H4 HTS A 101 9.972 0.322 1.276 1.00 0.00 H new HETATM 0 H3 HTS A 101 7.817 -0.787 0.811 1.00 0.00 H new