USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=3 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+ 163:sc= -0.0188 (180deg=-0.373) USER MOD Single : A 2 SER OG : rot -31:sc= 0.789 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.493) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.908 -10.893 -5.377 1.00 0.00 N ATOM 2 CA GLY A 1 -10.638 -12.288 -5.075 1.00 0.00 C ATOM 3 C GLY A 1 -9.255 -12.701 -5.586 1.00 0.00 C ATOM 4 O GLY A 1 -9.033 -13.866 -5.911 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.928 -10.710 -5.290 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.390 -10.287 -4.710 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.600 -10.682 -6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.695 -12.449 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.402 -12.917 -5.532 1.00 0.00 H new ATOM 8 N SER A 2 -8.364 -11.724 -5.640 1.00 0.00 N ATOM 9 CA SER A 2 -7.010 -11.971 -6.106 1.00 0.00 C ATOM 10 C SER A 2 -6.000 -11.394 -5.110 1.00 0.00 C ATOM 11 O SER A 2 -4.795 -11.428 -5.354 1.00 0.00 O ATOM 12 CB SER A 2 -6.787 -11.371 -7.495 1.00 0.00 C ATOM 13 OG SER A 2 -5.477 -11.637 -7.988 1.00 0.00 O ATOM 0 H SER A 2 -8.552 -10.759 -5.369 1.00 0.00 H new ATOM 0 HA SER A 2 -6.865 -13.049 -6.178 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.524 -11.777 -8.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.947 -10.294 -7.454 1.00 0.00 H new ATOM 0 HG SER A 2 -4.850 -11.693 -7.237 1.00 0.00 H new ATOM 19 N ARG A 3 -6.530 -10.879 -4.011 1.00 0.00 N ATOM 20 CA ARG A 3 -5.691 -10.296 -2.979 1.00 0.00 C ATOM 21 C ARG A 3 -4.980 -9.051 -3.511 1.00 0.00 C ATOM 22 O ARG A 3 -5.288 -7.933 -3.103 1.00 0.00 O ATOM 23 CB ARG A 3 -4.646 -11.299 -2.486 1.00 0.00 C ATOM 24 CG ARG A 3 -5.173 -12.733 -2.585 1.00 0.00 C ATOM 25 CD ARG A 3 -4.311 -13.691 -1.761 1.00 0.00 C ATOM 26 NE ARG A 3 -4.261 -15.017 -2.416 1.00 0.00 N ATOM 27 CZ ARG A 3 -5.312 -15.839 -2.532 1.00 0.00 C ATOM 28 NH1 ARG A 3 -6.503 -15.477 -2.036 1.00 0.00 N ATOM 29 NH2 ARG A 3 -5.173 -17.024 -3.143 1.00 0.00 N ATOM 0 H ARG A 3 -7.530 -10.853 -3.813 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.337 -10.021 -2.145 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.735 -11.201 -3.077 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.381 -11.075 -1.453 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.204 -12.771 -2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.181 -13.050 -3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.303 -13.289 -1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.720 -13.788 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.369 -15.325 -2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.609 -14.576 -1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.304 -16.103 -2.124 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.266 -17.300 -3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.974 -17.650 -3.231 1.00 0.00 H new ATOM 43 N VAL A 4 -4.043 -9.286 -4.418 1.00 0.00 N ATOM 44 CA VAL A 4 -3.285 -8.198 -5.013 1.00 0.00 C ATOM 45 C VAL A 4 -4.252 -7.204 -5.661 1.00 0.00 C ATOM 46 O VAL A 4 -4.177 -6.003 -5.407 1.00 0.00 O ATOM 47 CB VAL A 4 -2.251 -8.754 -5.994 1.00 0.00 C ATOM 48 CG1 VAL A 4 -1.332 -7.644 -6.508 1.00 0.00 C ATOM 49 CG2 VAL A 4 -1.442 -9.884 -5.354 1.00 0.00 C ATOM 0 H VAL A 4 -3.791 -10.215 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.727 -7.658 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.787 -9.168 -6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.606 -8.065 -7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.927 -6.887 -7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.807 -7.188 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.714 -10.262 -6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.921 -9.506 -4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.113 -10.690 -5.059 1.00 0.00 H new ATOM 59 N LYS A 5 -5.137 -7.744 -6.488 1.00 0.00 N ATOM 60 CA LYS A 5 -6.116 -6.920 -7.176 1.00 0.00 C ATOM 61 C LYS A 5 -6.774 -5.972 -6.171 1.00 0.00 C ATOM 62 O LYS A 5 -6.586 -4.759 -6.241 1.00 0.00 O ATOM 63 CB LYS A 5 -7.111 -7.796 -7.938 1.00 0.00 C ATOM 64 CG LYS A 5 -8.072 -6.941 -8.768 1.00 0.00 C ATOM 65 CD LYS A 5 -7.729 -7.019 -10.257 1.00 0.00 C ATOM 66 CE LYS A 5 -8.867 -7.667 -11.048 1.00 0.00 C ATOM 67 NZ LYS A 5 -8.332 -8.421 -12.203 1.00 0.00 N ATOM 0 H LYS A 5 -5.196 -8.741 -6.696 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.631 -6.299 -7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.571 -8.481 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.677 -8.406 -7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.096 -7.280 -8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.024 -5.905 -8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.537 -6.018 -10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.813 -7.594 -10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.433 -8.336 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.559 -6.900 -11.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.118 -8.854 -12.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.812 -7.774 -12.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.690 -9.166 -11.864 1.00 0.00 H new ATOM 81 N ALA A 6 -7.533 -6.562 -5.259 1.00 0.00 N ATOM 82 CA ALA A 6 -8.221 -5.785 -4.242 1.00 0.00 C ATOM 83 C ALA A 6 -7.234 -4.810 -3.597 1.00 0.00 C ATOM 84 O ALA A 6 -7.638 -3.795 -3.031 1.00 0.00 O ATOM 85 CB ALA A 6 -8.857 -6.731 -3.220 1.00 0.00 C ATOM 0 H ALA A 6 -7.687 -7.569 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.024 -5.197 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.373 -6.148 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.571 -7.383 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.081 -7.336 -2.751 1.00 0.00 H new ATOM 91 N LEU A 7 -5.958 -5.152 -3.705 1.00 0.00 N ATOM 92 CA LEU A 7 -4.910 -4.318 -3.140 1.00 0.00 C ATOM 93 C LEU A 7 -4.596 -3.175 -4.108 1.00 0.00 C ATOM 94 O LEU A 7 -4.801 -2.007 -3.781 1.00 0.00 O ATOM 95 CB LEU A 7 -3.691 -5.166 -2.773 1.00 0.00 C ATOM 96 CG LEU A 7 -3.424 -5.345 -1.277 1.00 0.00 C ATOM 97 CD1 LEU A 7 -3.381 -3.993 -0.562 1.00 0.00 C ATOM 98 CD2 LEU A 7 -4.445 -6.294 -0.648 1.00 0.00 C ATOM 0 H LEU A 7 -5.626 -5.994 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.245 -3.863 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.811 -6.152 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.809 -4.715 -3.228 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.442 -5.803 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.190 -4.149 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.586 -3.381 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.337 -3.484 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.233 -6.404 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.448 -5.887 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.383 -7.268 -1.133 1.00 0.00 H new ATOM 110 N GLU A 8 -4.103 -3.553 -5.278 1.00 0.00 N ATOM 111 CA GLU A 8 -3.758 -2.574 -6.295 1.00 0.00 C ATOM 112 C GLU A 8 -4.753 -1.411 -6.273 1.00 0.00 C ATOM 113 O GLU A 8 -4.368 -0.257 -6.453 1.00 0.00 O ATOM 114 CB GLU A 8 -3.702 -3.221 -7.681 1.00 0.00 C ATOM 115 CG GLU A 8 -2.690 -2.505 -8.579 1.00 0.00 C ATOM 116 CD GLU A 8 -1.950 -3.501 -9.474 1.00 0.00 C ATOM 117 OE1 GLU A 8 -1.368 -4.450 -8.906 1.00 0.00 O ATOM 118 OE2 GLU A 8 -1.984 -3.292 -10.706 1.00 0.00 O ATOM 0 H GLU A 8 -3.934 -4.523 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.766 -2.181 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.429 -4.272 -7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.689 -3.189 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.204 -1.768 -9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.973 -1.961 -7.964 1.00 0.00 H new ATOM 125 N GLU A 9 -6.013 -1.757 -6.049 1.00 0.00 N ATOM 126 CA GLU A 9 -7.065 -0.757 -6.000 1.00 0.00 C ATOM 127 C GLU A 9 -6.660 0.395 -5.078 1.00 0.00 C ATOM 128 O GLU A 9 -6.745 1.562 -5.461 1.00 0.00 O ATOM 129 CB GLU A 9 -8.391 -1.377 -5.553 1.00 0.00 C ATOM 130 CG GLU A 9 -9.027 -2.186 -6.686 1.00 0.00 C ATOM 131 CD GLU A 9 -10.541 -2.300 -6.494 1.00 0.00 C ATOM 132 OE1 GLU A 9 -11.222 -1.279 -6.731 1.00 0.00 O ATOM 133 OE2 GLU A 9 -10.982 -3.406 -6.114 1.00 0.00 O ATOM 0 H GLU A 9 -6.328 -2.716 -5.900 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.208 -0.359 -7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.223 -2.022 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.075 -0.591 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.813 -1.710 -7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.585 -3.182 -6.720 1.00 0.00 H new ATOM 140 N LYS A 10 -6.228 0.029 -3.881 1.00 0.00 N ATOM 141 CA LYS A 10 -5.810 1.017 -2.901 1.00 0.00 C ATOM 142 C LYS A 10 -4.429 1.554 -3.282 1.00 0.00 C ATOM 143 O LYS A 10 -4.272 2.746 -3.543 1.00 0.00 O ATOM 144 CB LYS A 10 -5.873 0.431 -1.489 1.00 0.00 C ATOM 145 CG LYS A 10 -6.143 1.526 -0.454 1.00 0.00 C ATOM 146 CD LYS A 10 -7.625 1.905 -0.430 1.00 0.00 C ATOM 147 CE LYS A 10 -8.198 1.794 0.984 1.00 0.00 C ATOM 148 NZ LYS A 10 -9.037 0.580 1.110 1.00 0.00 N ATOM 0 H LYS A 10 -6.158 -0.939 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.494 1.866 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.658 -0.324 -1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.933 -0.070 -1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.836 1.181 0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.543 2.406 -0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.749 2.924 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.181 1.253 -1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.386 1.759 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.792 2.679 1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.418 0.520 2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.823 0.629 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.460 -0.263 0.912 1.00 0.00 H new ATOM 162 N VAL A 11 -3.462 0.648 -3.304 1.00 0.00 N ATOM 163 CA VAL A 11 -2.100 1.017 -3.649 1.00 0.00 C ATOM 164 C VAL A 11 -2.123 1.998 -4.822 1.00 0.00 C ATOM 165 O VAL A 11 -1.503 3.059 -4.760 1.00 0.00 O ATOM 166 CB VAL A 11 -1.276 -0.240 -3.937 1.00 0.00 C ATOM 167 CG1 VAL A 11 0.166 0.122 -4.304 1.00 0.00 C ATOM 168 CG2 VAL A 11 -1.313 -1.206 -2.751 1.00 0.00 C ATOM 0 H VAL A 11 -3.595 -0.340 -3.089 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.617 1.523 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.724 -0.744 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.730 -0.789 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.168 0.752 -5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.628 0.661 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.719 -2.090 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.903 -0.715 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.344 -1.502 -2.555 1.00 0.00 H new ATOM 178 N LYS A 12 -2.844 1.610 -5.864 1.00 0.00 N ATOM 179 CA LYS A 12 -2.956 2.443 -7.049 1.00 0.00 C ATOM 180 C LYS A 12 -3.378 3.855 -6.637 1.00 0.00 C ATOM 181 O LYS A 12 -2.740 4.834 -7.021 1.00 0.00 O ATOM 182 CB LYS A 12 -3.892 1.796 -8.072 1.00 0.00 C ATOM 183 CG LYS A 12 -4.139 2.731 -9.258 1.00 0.00 C ATOM 184 CD LYS A 12 -3.484 2.190 -10.530 1.00 0.00 C ATOM 185 CE LYS A 12 -4.415 1.215 -11.253 1.00 0.00 C ATOM 186 NZ LYS A 12 -3.657 0.046 -11.750 1.00 0.00 N ATOM 0 H LYS A 12 -3.356 0.729 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.990 2.531 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.459 0.861 -8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.841 1.548 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.211 2.846 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.742 3.721 -9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.231 3.017 -11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.550 1.687 -10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.202 0.884 -10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.904 1.720 -12.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.304 -0.605 -12.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.922 0.365 -12.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.211 -0.445 -10.949 1.00 0.00 H new ATOM 200 N ALA A 13 -4.449 3.914 -5.860 1.00 0.00 N ATOM 201 CA ALA A 13 -4.963 5.190 -5.391 1.00 0.00 C ATOM 202 C ALA A 13 -3.879 5.908 -4.586 1.00 0.00 C ATOM 203 O ALA A 13 -3.699 7.117 -4.720 1.00 0.00 O ATOM 204 CB ALA A 13 -6.237 4.960 -4.576 1.00 0.00 C ATOM 0 H ALA A 13 -4.975 3.100 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.226 5.829 -6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.622 5.917 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.986 4.475 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.012 4.323 -3.720 1.00 0.00 H new ATOM 210 N LEU A 14 -3.183 5.132 -3.768 1.00 0.00 N ATOM 211 CA LEU A 14 -2.120 5.678 -2.941 1.00 0.00 C ATOM 212 C LEU A 14 -1.113 6.411 -3.830 1.00 0.00 C ATOM 213 O LEU A 14 -0.887 7.608 -3.663 1.00 0.00 O ATOM 214 CB LEU A 14 -1.494 4.581 -2.078 1.00 0.00 C ATOM 215 CG LEU A 14 -2.370 4.033 -0.950 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.514 3.481 0.191 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.362 5.092 -0.463 1.00 0.00 C ATOM 0 H LEU A 14 -3.335 4.129 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.521 6.411 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.212 3.752 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.575 4.971 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.954 3.201 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.162 3.098 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.884 2.675 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.886 4.276 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.973 4.677 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.816 5.959 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.005 5.395 -1.289 1.00 0.00 H new ATOM 229 N GLU A 15 -0.536 5.661 -4.758 1.00 0.00 N ATOM 230 CA GLU A 15 0.441 6.223 -5.673 1.00 0.00 C ATOM 231 C GLU A 15 0.008 7.621 -6.119 1.00 0.00 C ATOM 232 O GLU A 15 0.811 8.554 -6.117 1.00 0.00 O ATOM 233 CB GLU A 15 0.656 5.306 -6.879 1.00 0.00 C ATOM 234 CG GLU A 15 1.289 6.069 -8.044 1.00 0.00 C ATOM 235 CD GLU A 15 0.249 6.391 -9.119 1.00 0.00 C ATOM 236 OE1 GLU A 15 -0.529 7.343 -8.891 1.00 0.00 O ATOM 237 OE2 GLU A 15 0.255 5.677 -10.145 1.00 0.00 O ATOM 0 H GLU A 15 -0.727 4.669 -4.895 1.00 0.00 H new ATOM 0 HA GLU A 15 1.393 6.308 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.297 4.471 -6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.298 4.883 -7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.737 6.993 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.094 5.475 -8.478 1.00 0.00 H new ATOM 244 N GLU A 16 -1.259 7.724 -6.490 1.00 0.00 N ATOM 245 CA GLU A 16 -1.808 8.993 -6.936 1.00 0.00 C ATOM 246 C GLU A 16 -1.903 9.972 -5.765 1.00 0.00 C ATOM 247 O GLU A 16 -1.390 11.087 -5.841 1.00 0.00 O ATOM 248 CB GLU A 16 -3.175 8.797 -7.598 1.00 0.00 C ATOM 249 CG GLU A 16 -3.288 9.626 -8.879 1.00 0.00 C ATOM 250 CD GLU A 16 -4.337 10.729 -8.726 1.00 0.00 C ATOM 251 OE1 GLU A 16 -5.310 10.487 -7.980 1.00 0.00 O ATOM 252 OE2 GLU A 16 -4.141 11.789 -9.358 1.00 0.00 O ATOM 0 H GLU A 16 -1.922 6.949 -6.491 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.135 9.414 -7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.323 7.742 -7.829 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.964 9.085 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.321 10.069 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.555 8.978 -9.714 1.00 0.00 H new ATOM 259 N LYS A 17 -2.563 9.520 -4.708 1.00 0.00 N ATOM 260 CA LYS A 17 -2.731 10.343 -3.522 1.00 0.00 C ATOM 261 C LYS A 17 -1.356 10.781 -3.012 1.00 0.00 C ATOM 262 O LYS A 17 -1.071 11.975 -2.934 1.00 0.00 O ATOM 263 CB LYS A 17 -3.571 9.608 -2.475 1.00 0.00 C ATOM 264 CG LYS A 17 -5.020 10.097 -2.492 1.00 0.00 C ATOM 265 CD LYS A 17 -5.895 9.190 -3.358 1.00 0.00 C ATOM 266 CE LYS A 17 -7.366 9.294 -2.949 1.00 0.00 C ATOM 267 NZ LYS A 17 -8.235 8.678 -3.977 1.00 0.00 N ATOM 0 H LYS A 17 -2.988 8.594 -4.648 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.286 11.250 -3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.543 8.536 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.142 9.764 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.411 10.122 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.059 11.117 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.785 9.466 -4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.560 8.157 -3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.519 8.798 -1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.639 10.341 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.230 8.757 -3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.101 9.169 -4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.985 7.674 -4.087 1.00 0.00 H new ATOM 281 N VAL A 18 -0.543 9.791 -2.677 1.00 0.00 N ATOM 282 CA VAL A 18 0.795 10.059 -2.176 1.00 0.00 C ATOM 283 C VAL A 18 1.461 11.120 -3.054 1.00 0.00 C ATOM 284 O VAL A 18 2.343 11.845 -2.597 1.00 0.00 O ATOM 285 CB VAL A 18 1.596 8.758 -2.100 1.00 0.00 C ATOM 286 CG1 VAL A 18 2.963 8.992 -1.452 1.00 0.00 C ATOM 287 CG2 VAL A 18 0.814 7.676 -1.352 1.00 0.00 C ATOM 0 H VAL A 18 -0.784 8.802 -2.742 1.00 0.00 H new ATOM 0 HA VAL A 18 0.750 10.457 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 18 1.763 8.408 -3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.512 8.051 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.526 9.715 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.826 9.377 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.406 6.761 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.602 8.016 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.123 7.479 -1.872 1.00 0.00 H new ATOM 297 N LYS A 19 1.012 11.177 -4.299 1.00 0.00 N ATOM 298 CA LYS A 19 1.554 12.138 -5.246 1.00 0.00 C ATOM 299 C LYS A 19 0.818 13.471 -5.091 1.00 0.00 C ATOM 300 O LYS A 19 1.436 14.533 -5.131 1.00 0.00 O ATOM 301 CB LYS A 19 1.509 11.573 -6.667 1.00 0.00 C ATOM 302 CG LYS A 19 2.388 12.394 -7.611 1.00 0.00 C ATOM 303 CD LYS A 19 2.188 11.959 -9.065 1.00 0.00 C ATOM 304 CE LYS A 19 3.228 12.609 -9.980 1.00 0.00 C ATOM 305 NZ LYS A 19 2.565 13.291 -11.115 1.00 0.00 N ATOM 0 H LYS A 19 0.280 10.574 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 19 2.607 12.328 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.845 10.536 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.481 11.573 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.148 13.452 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.435 12.276 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.262 10.874 -9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.186 12.232 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.822 13.326 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.916 11.851 -10.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.285 13.727 -11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.017 12.598 -11.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.927 14.028 -10.752 1.00 0.00 H new ATOM 319 N ALA A 20 -0.492 13.370 -4.919 1.00 0.00 N ATOM 320 CA ALA A 20 -1.318 14.554 -4.758 1.00 0.00 C ATOM 321 C ALA A 20 -0.813 15.365 -3.563 1.00 0.00 C ATOM 322 O ALA A 20 -1.003 16.579 -3.507 1.00 0.00 O ATOM 323 CB ALA A 20 -2.782 14.138 -4.602 1.00 0.00 C ATOM 0 H ALA A 20 -1.001 12.487 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.251 15.190 -5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.402 15.026 -4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.101 13.591 -5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.887 13.500 -3.725 1.00 0.00 H new ATOM 329 N LEU A 21 -0.178 14.661 -2.637 1.00 0.00 N ATOM 330 CA LEU A 21 0.355 15.301 -1.446 1.00 0.00 C ATOM 331 C LEU A 21 1.449 16.292 -1.852 1.00 0.00 C ATOM 332 O LEU A 21 2.459 15.904 -2.437 1.00 0.00 O ATOM 333 CB LEU A 21 0.823 14.250 -0.437 1.00 0.00 C ATOM 334 CG LEU A 21 0.002 12.960 -0.384 1.00 0.00 C ATOM 335 CD1 LEU A 21 0.359 12.133 0.853 1.00 0.00 C ATOM 336 CD2 LEU A 21 -1.496 13.260 -0.460 1.00 0.00 C ATOM 0 H LEU A 21 -0.021 13.654 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.423 15.872 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.857 13.990 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.819 14.701 0.555 1.00 0.00 H new ATOM 0 HG LEU A 21 0.255 12.358 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.239 11.222 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.417 11.873 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.153 12.715 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.057 12.326 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.784 13.892 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.717 13.776 -1.394 1.00 0.00 H new ATOM 348 N GLY A 22 1.209 17.554 -1.526 1.00 0.00 N ATOM 349 CA GLY A 22 2.160 18.604 -1.849 1.00 0.00 C ATOM 350 C GLY A 22 3.599 18.117 -1.662 1.00 0.00 C ATOM 351 O GLY A 22 4.510 18.589 -2.340 1.00 0.00 O ATOM 0 H GLY A 22 0.370 17.873 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.013 18.928 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.980 19.471 -1.213 1.00 0.00 H new ATOM 355 N GLY A 23 3.757 17.181 -0.737 1.00 0.00 N ATOM 356 CA GLY A 23 5.069 16.626 -0.451 1.00 0.00 C ATOM 357 C GLY A 23 6.029 17.711 0.040 1.00 0.00 C ATOM 358 O GLY A 23 5.648 18.875 0.156 1.00 0.00 O ATOM 0 H GLY A 23 2.998 16.793 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.980 15.845 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.473 16.157 -1.348 1.00 0.00 H new ATOM 362 N GLY A 24 7.256 17.292 0.314 1.00 0.00 N ATOM 363 CA GLY A 24 8.273 18.214 0.790 1.00 0.00 C ATOM 364 C GLY A 24 8.716 17.856 2.209 1.00 0.00 C ATOM 365 O GLY A 24 9.160 18.722 2.962 1.00 0.00 O ATOM 0 H GLY A 24 7.569 16.326 0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.132 18.191 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.883 19.232 0.773 1.00 0.00 H new ATOM 369 N GLY A 25 8.582 16.577 2.533 1.00 0.00 N ATOM 370 CA GLY A 25 8.964 16.094 3.848 1.00 0.00 C ATOM 371 C GLY A 25 7.736 15.656 4.649 1.00 0.00 C ATOM 372 O GLY A 25 7.312 16.351 5.571 1.00 0.00 O ATOM 0 H GLY A 25 8.214 15.861 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.654 15.256 3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.494 16.879 4.388 1.00 0.00 H new ATOM 376 N ARG A 26 7.201 14.505 4.268 1.00 0.00 N ATOM 377 CA ARG A 26 6.029 13.967 4.939 1.00 0.00 C ATOM 378 C ARG A 26 5.542 12.704 4.225 1.00 0.00 C ATOM 379 O ARG A 26 5.033 11.784 4.862 1.00 0.00 O ATOM 380 CB ARG A 26 4.896 14.992 4.977 1.00 0.00 C ATOM 381 CG ARG A 26 4.632 15.466 6.408 1.00 0.00 C ATOM 382 CD ARG A 26 4.131 14.316 7.283 1.00 0.00 C ATOM 383 NE ARG A 26 3.948 14.782 8.676 1.00 0.00 N ATOM 384 CZ ARG A 26 3.712 13.970 9.715 1.00 0.00 C ATOM 385 NH1 ARG A 26 3.628 12.646 9.525 1.00 0.00 N ATOM 386 NH2 ARG A 26 3.560 14.480 10.944 1.00 0.00 N ATOM 0 H ARG A 26 7.557 13.930 3.504 1.00 0.00 H new ATOM 0 HA ARG A 26 6.316 13.723 5.962 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.152 15.845 4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.989 14.552 4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.547 15.879 6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.895 16.269 6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.188 13.935 6.892 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.844 13.492 7.257 1.00 0.00 H new ATOM 0 HE ARG A 26 4.005 15.784 8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.744 12.257 8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.448 12.028 10.316 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.624 15.488 11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.380 13.861 11.734 1.00 0.00 H new ATOM 400 N ILE A 27 5.716 12.702 2.911 1.00 0.00 N ATOM 401 CA ILE A 27 5.301 11.568 2.103 1.00 0.00 C ATOM 402 C ILE A 27 6.469 10.590 1.965 1.00 0.00 C ATOM 403 O ILE A 27 6.264 9.384 1.843 1.00 0.00 O ATOM 404 CB ILE A 27 4.734 12.043 0.764 1.00 0.00 C ATOM 405 CG1 ILE A 27 5.409 13.340 0.313 1.00 0.00 C ATOM 406 CG2 ILE A 27 3.212 12.180 0.830 1.00 0.00 C ATOM 407 CD1 ILE A 27 4.907 13.768 -1.068 1.00 0.00 C ATOM 0 H ILE A 27 6.139 13.468 2.386 1.00 0.00 H new ATOM 0 HA ILE A 27 4.490 11.028 2.592 1.00 0.00 H new ATOM 0 HB ILE A 27 4.955 11.286 0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.209 14.129 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.490 13.201 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.835 12.519 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.770 11.214 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.945 12.905 1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.402 14.692 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.131 12.987 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.830 13.930 -1.029 1.00 0.00 H new ATOM 419 N GLU A 28 7.672 11.147 1.988 1.00 0.00 N ATOM 420 CA GLU A 28 8.873 10.339 1.867 1.00 0.00 C ATOM 421 C GLU A 28 8.740 9.061 2.698 1.00 0.00 C ATOM 422 O GLU A 28 8.839 7.957 2.165 1.00 0.00 O ATOM 423 CB GLU A 28 10.114 11.135 2.281 1.00 0.00 C ATOM 424 CG GLU A 28 11.385 10.306 2.095 1.00 0.00 C ATOM 425 CD GLU A 28 12.471 11.119 1.389 1.00 0.00 C ATOM 426 OE1 GLU A 28 13.024 12.023 2.051 1.00 0.00 O ATOM 427 OE2 GLU A 28 12.726 10.816 0.203 1.00 0.00 O ATOM 0 H GLU A 28 7.840 12.148 2.089 1.00 0.00 H new ATOM 0 HA GLU A 28 8.994 10.058 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.180 12.047 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.024 11.440 3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.750 9.971 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.159 9.412 1.513 1.00 0.00 H new ATOM 434 N GLU A 29 8.518 9.254 3.990 1.00 0.00 N ATOM 435 CA GLU A 29 8.371 8.130 4.899 1.00 0.00 C ATOM 436 C GLU A 29 7.345 7.135 4.351 1.00 0.00 C ATOM 437 O GLU A 29 7.710 6.059 3.880 1.00 0.00 O ATOM 438 CB GLU A 29 7.978 8.606 6.299 1.00 0.00 C ATOM 439 CG GLU A 29 8.431 7.606 7.365 1.00 0.00 C ATOM 440 CD GLU A 29 7.295 7.294 8.342 1.00 0.00 C ATOM 441 OE1 GLU A 29 6.699 8.269 8.847 1.00 0.00 O ATOM 442 OE2 GLU A 29 7.050 6.089 8.562 1.00 0.00 O ATOM 0 H GLU A 29 8.436 10.171 4.429 1.00 0.00 H new ATOM 0 HA GLU A 29 9.333 7.624 4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.426 9.580 6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.897 8.736 6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.767 6.686 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.283 8.011 7.910 1.00 0.00 H new ATOM 449 N LEU A 30 6.083 7.530 4.431 1.00 0.00 N ATOM 450 CA LEU A 30 5.003 6.686 3.949 1.00 0.00 C ATOM 451 C LEU A 30 5.377 6.120 2.578 1.00 0.00 C ATOM 452 O LEU A 30 5.113 4.953 2.291 1.00 0.00 O ATOM 453 CB LEU A 30 3.679 7.454 3.956 1.00 0.00 C ATOM 454 CG LEU A 30 3.498 8.490 2.844 1.00 0.00 C ATOM 455 CD1 LEU A 30 3.342 7.809 1.483 1.00 0.00 C ATOM 456 CD2 LEU A 30 2.329 9.427 3.154 1.00 0.00 C ATOM 0 H LEU A 30 5.784 8.423 4.822 1.00 0.00 H new ATOM 0 HA LEU A 30 4.857 5.837 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.864 6.734 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.581 7.960 4.916 1.00 0.00 H new ATOM 0 HG LEU A 30 4.398 9.103 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.215 8.566 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.232 7.217 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.468 7.158 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.222 10.154 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.411 8.846 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.520 9.950 4.091 1.00 0.00 H new ATOM 468 N LYS A 31 5.986 6.973 1.767 1.00 0.00 N ATOM 469 CA LYS A 31 6.400 6.571 0.433 1.00 0.00 C ATOM 470 C LYS A 31 7.359 5.384 0.537 1.00 0.00 C ATOM 471 O LYS A 31 7.289 4.452 -0.264 1.00 0.00 O ATOM 472 CB LYS A 31 6.978 7.765 -0.330 1.00 0.00 C ATOM 473 CG LYS A 31 5.873 8.549 -1.041 1.00 0.00 C ATOM 474 CD LYS A 31 6.453 9.435 -2.143 1.00 0.00 C ATOM 475 CE LYS A 31 5.741 9.191 -3.475 1.00 0.00 C ATOM 476 NZ LYS A 31 6.702 9.267 -4.599 1.00 0.00 N ATOM 0 H LYS A 31 6.203 7.940 2.008 1.00 0.00 H new ATOM 0 HA LYS A 31 5.541 6.236 -0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.507 8.421 0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.708 7.416 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.149 7.856 -1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.337 9.165 -0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.355 10.483 -1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.518 9.233 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.262 8.212 -3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.952 9.930 -3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.202 9.099 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.140 10.210 -4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.440 8.545 -4.474 1.00 0.00 H new ATOM 490 N LYS A 32 8.234 5.455 1.529 1.00 0.00 N ATOM 491 CA LYS A 32 9.205 4.397 1.748 1.00 0.00 C ATOM 492 C LYS A 32 8.472 3.073 1.968 1.00 0.00 C ATOM 493 O LYS A 32 8.651 2.125 1.205 1.00 0.00 O ATOM 494 CB LYS A 32 10.156 4.771 2.887 1.00 0.00 C ATOM 495 CG LYS A 32 10.704 6.188 2.703 1.00 0.00 C ATOM 496 CD LYS A 32 12.222 6.217 2.888 1.00 0.00 C ATOM 497 CE LYS A 32 12.918 6.731 1.626 1.00 0.00 C ATOM 498 NZ LYS A 32 13.637 5.631 0.945 1.00 0.00 N ATOM 0 H LYS A 32 8.291 6.229 2.190 1.00 0.00 H new ATOM 0 HA LYS A 32 9.834 4.269 0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.632 4.701 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.982 4.060 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.448 6.554 1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.234 6.860 3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.477 6.855 3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.582 5.216 3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.182 7.166 0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.619 7.524 1.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.103 5.998 0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.353 5.234 1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.961 4.887 0.678 1.00 0.00 H new ATOM 512 N LYS A 33 7.661 3.050 3.015 1.00 0.00 N ATOM 513 CA LYS A 33 6.899 1.857 3.346 1.00 0.00 C ATOM 514 C LYS A 33 6.020 1.472 2.153 1.00 0.00 C ATOM 515 O LYS A 33 5.834 0.289 1.872 1.00 0.00 O ATOM 516 CB LYS A 33 6.116 2.065 4.644 1.00 0.00 C ATOM 517 CG LYS A 33 7.051 2.449 5.792 1.00 0.00 C ATOM 518 CD LYS A 33 6.935 1.455 6.950 1.00 0.00 C ATOM 519 CE LYS A 33 7.317 2.112 8.277 1.00 0.00 C ATOM 520 NZ LYS A 33 6.306 1.811 9.315 1.00 0.00 N ATOM 0 H LYS A 33 7.515 3.838 3.646 1.00 0.00 H new ATOM 0 HA LYS A 33 7.568 1.017 3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.369 2.846 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.578 1.152 4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.080 2.477 5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.808 3.452 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.914 1.076 7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.583 0.598 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.295 1.754 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.401 3.191 8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.581 2.265 10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.380 2.174 9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.246 0.782 9.453 1.00 0.00 H new ATOM 534 N TRP A 34 5.505 2.493 1.484 1.00 0.00 N ATOM 535 CA TRP A 34 4.652 2.276 0.328 1.00 0.00 C ATOM 536 C TRP A 34 5.460 1.506 -0.718 1.00 0.00 C ATOM 537 O TRP A 34 4.901 0.723 -1.486 1.00 0.00 O ATOM 538 CB TRP A 34 4.097 3.601 -0.200 1.00 0.00 C ATOM 539 CG TRP A 34 4.128 3.724 -1.725 1.00 0.00 C ATOM 540 CD1 TRP A 34 5.136 4.152 -2.497 1.00 0.00 C ATOM 541 CD2 TRP A 34 3.058 3.396 -2.636 1.00 0.00 C ATOM 542 NE1 TRP A 34 4.795 4.124 -3.835 1.00 0.00 N ATOM 543 CE2 TRP A 34 3.492 3.650 -3.921 1.00 0.00 C ATOM 544 CE3 TRP A 34 1.767 2.901 -2.383 1.00 0.00 C ATOM 545 CZ2 TRP A 34 2.696 3.440 -5.054 1.00 0.00 C ATOM 546 CZ3 TRP A 34 0.984 2.697 -3.525 1.00 0.00 C ATOM 547 CH2 TRP A 34 1.406 2.947 -4.826 1.00 0.00 C ATOM 0 H TRP A 34 5.662 3.473 1.720 1.00 0.00 H new ATOM 0 HA TRP A 34 3.779 1.682 0.599 1.00 0.00 H new ATOM 0 HB2 TRP A 34 3.069 3.715 0.143 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.670 4.421 0.232 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.094 4.478 -2.120 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.390 4.400 -4.616 1.00 0.00 H new ATOM 0 HE3 TRP A 34 1.408 2.694 -1.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.058 3.647 -6.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.018 2.319 -3.386 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.741 2.762 -5.657 1.00 0.00 H new ATOM 558 N GLU A 35 6.761 1.755 -0.716 1.00 0.00 N ATOM 559 CA GLU A 35 7.651 1.094 -1.655 1.00 0.00 C ATOM 560 C GLU A 35 7.946 -0.334 -1.193 1.00 0.00 C ATOM 561 O GLU A 35 8.138 -1.230 -2.014 1.00 0.00 O ATOM 562 CB GLU A 35 8.945 1.890 -1.837 1.00 0.00 C ATOM 563 CG GLU A 35 9.099 2.364 -3.283 1.00 0.00 C ATOM 564 CD GLU A 35 10.545 2.215 -3.758 1.00 0.00 C ATOM 565 OE1 GLU A 35 11.005 1.054 -3.824 1.00 0.00 O ATOM 566 OE2 GLU A 35 11.160 3.266 -4.044 1.00 0.00 O ATOM 0 H GLU A 35 7.220 2.406 -0.079 1.00 0.00 H new ATOM 0 HA GLU A 35 7.154 1.045 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.944 2.750 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.799 1.271 -1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.439 1.787 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.792 3.407 -3.362 1.00 0.00 H new ATOM 573 N GLU A 36 7.973 -0.503 0.121 1.00 0.00 N ATOM 574 CA GLU A 36 8.242 -1.807 0.703 1.00 0.00 C ATOM 575 C GLU A 36 6.951 -2.624 0.794 1.00 0.00 C ATOM 576 O GLU A 36 6.994 -3.844 0.939 1.00 0.00 O ATOM 577 CB GLU A 36 8.902 -1.669 2.076 1.00 0.00 C ATOM 578 CG GLU A 36 9.765 -0.407 2.147 1.00 0.00 C ATOM 579 CD GLU A 36 10.959 -0.611 3.080 1.00 0.00 C ATOM 580 OE1 GLU A 36 11.837 -1.420 2.711 1.00 0.00 O ATOM 581 OE2 GLU A 36 10.967 0.047 4.144 1.00 0.00 O ATOM 0 H GLU A 36 7.813 0.242 0.799 1.00 0.00 H new ATOM 0 HA GLU A 36 8.939 -2.337 0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.135 -1.633 2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.517 -2.546 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.119 -0.148 1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.163 0.430 2.499 1.00 0.00 H new ATOM 588 N LEU A 37 5.834 -1.917 0.705 1.00 0.00 N ATOM 589 CA LEU A 37 4.534 -2.561 0.775 1.00 0.00 C ATOM 590 C LEU A 37 4.170 -3.118 -0.602 1.00 0.00 C ATOM 591 O LEU A 37 3.897 -4.309 -0.741 1.00 0.00 O ATOM 592 CB LEU A 37 3.489 -1.598 1.345 1.00 0.00 C ATOM 593 CG LEU A 37 2.152 -1.544 0.602 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.426 -2.889 0.681 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.285 -0.394 1.118 1.00 0.00 C ATOM 0 H LEU A 37 5.803 -0.905 0.585 1.00 0.00 H new ATOM 0 HA LEU A 37 4.564 -3.406 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.295 -1.875 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.916 -0.595 1.357 1.00 0.00 H new ATOM 0 HG LEU A 37 2.354 -1.348 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.479 -2.823 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.045 -3.664 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.236 -3.139 1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.341 -0.378 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.089 -0.535 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.807 0.551 0.968 1.00 0.00 H new ATOM 607 N LYS A 38 4.179 -2.230 -1.586 1.00 0.00 N ATOM 608 CA LYS A 38 3.853 -2.619 -2.948 1.00 0.00 C ATOM 609 C LYS A 38 4.732 -3.801 -3.359 1.00 0.00 C ATOM 610 O LYS A 38 4.314 -4.643 -4.154 1.00 0.00 O ATOM 611 CB LYS A 38 3.959 -1.416 -3.887 1.00 0.00 C ATOM 612 CG LYS A 38 3.791 -1.845 -5.347 1.00 0.00 C ATOM 613 CD LYS A 38 4.767 -1.093 -6.255 1.00 0.00 C ATOM 614 CE LYS A 38 4.439 0.400 -6.295 1.00 0.00 C ATOM 615 NZ LYS A 38 3.478 0.691 -7.382 1.00 0.00 N ATOM 0 H LYS A 38 4.407 -1.243 -1.467 1.00 0.00 H new ATOM 0 HA LYS A 38 2.818 -2.954 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.196 -0.681 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.926 -0.931 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.959 -2.918 -5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.768 -1.655 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.786 -1.236 -5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.723 -1.506 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.020 0.712 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.353 0.975 -6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.266 1.709 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.891 0.412 -8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.600 0.157 -7.221 1.00 0.00 H new ATOM 629 N LYS A 39 5.933 -3.829 -2.801 1.00 0.00 N ATOM 630 CA LYS A 39 6.874 -4.894 -3.101 1.00 0.00 C ATOM 631 C LYS A 39 6.334 -6.216 -2.549 1.00 0.00 C ATOM 632 O LYS A 39 6.665 -7.285 -3.058 1.00 0.00 O ATOM 633 CB LYS A 39 8.269 -4.537 -2.585 1.00 0.00 C ATOM 634 CG LYS A 39 9.322 -5.493 -3.147 1.00 0.00 C ATOM 635 CD LYS A 39 10.729 -5.082 -2.705 1.00 0.00 C ATOM 636 CE LYS A 39 11.778 -6.065 -3.229 1.00 0.00 C ATOM 637 NZ LYS A 39 13.132 -5.474 -3.141 1.00 0.00 N ATOM 0 H LYS A 39 6.276 -3.130 -2.142 1.00 0.00 H new ATOM 0 HA LYS A 39 6.980 -5.017 -4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.514 -3.513 -2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.279 -4.578 -1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.113 -6.508 -2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.267 -5.501 -4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.950 -4.079 -3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.775 -5.042 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.740 -6.989 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.555 -6.326 -4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.832 -6.154 -3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.169 -4.605 -3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.348 -5.247 -2.149 1.00 0.00 H new ATOM 651 N LYS A 40 5.513 -6.096 -1.516 1.00 0.00 N ATOM 652 CA LYS A 40 4.924 -7.268 -0.890 1.00 0.00 C ATOM 653 C LYS A 40 3.726 -7.737 -1.719 1.00 0.00 C ATOM 654 O LYS A 40 3.566 -8.931 -1.967 1.00 0.00 O ATOM 655 CB LYS A 40 4.585 -6.981 0.574 1.00 0.00 C ATOM 656 CG LYS A 40 5.763 -7.327 1.488 1.00 0.00 C ATOM 657 CD LYS A 40 5.818 -8.829 1.766 1.00 0.00 C ATOM 658 CE LYS A 40 7.244 -9.274 2.098 1.00 0.00 C ATOM 659 NZ LYS A 40 7.973 -9.641 0.864 1.00 0.00 N ATOM 0 H LYS A 40 5.242 -5.206 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 40 5.640 -8.090 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.326 -5.929 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.709 -7.560 0.868 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.695 -7.005 1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.671 -6.783 2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.155 -9.073 2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.456 -9.377 0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.771 -8.471 2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.217 -10.125 2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.939 -9.941 1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.478 -10.422 0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.015 -8.819 0.228 1.00 0.00 H new ATOM 673 N ILE A 41 2.913 -6.771 -2.123 1.00 0.00 N ATOM 674 CA ILE A 41 1.734 -7.069 -2.918 1.00 0.00 C ATOM 675 C ILE A 41 2.163 -7.718 -4.236 1.00 0.00 C ATOM 676 O ILE A 41 1.373 -8.409 -4.876 1.00 0.00 O ATOM 677 CB ILE A 41 0.880 -5.812 -3.101 1.00 0.00 C ATOM 678 CG1 ILE A 41 0.845 -4.981 -1.817 1.00 0.00 C ATOM 679 CG2 ILE A 41 -0.525 -6.171 -3.590 1.00 0.00 C ATOM 680 CD1 ILE A 41 -0.356 -4.034 -1.810 1.00 0.00 C ATOM 0 H ILE A 41 3.048 -5.782 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 41 1.097 -7.787 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 41 1.342 -5.194 -3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.796 -5.643 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.767 -4.406 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.112 -5.260 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.456 -6.689 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.010 -6.820 -2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.357 -3.455 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.291 -3.358 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.277 -4.614 -1.876 1.00 0.00 H new ATOM 692 N GLU A 42 3.414 -7.473 -4.599 1.00 0.00 N ATOM 693 CA GLU A 42 3.957 -8.026 -5.828 1.00 0.00 C ATOM 694 C GLU A 42 4.275 -9.512 -5.647 1.00 0.00 C ATOM 695 O GLU A 42 3.810 -10.348 -6.420 1.00 0.00 O ATOM 696 CB GLU A 42 5.198 -7.251 -6.275 1.00 0.00 C ATOM 697 CG GLU A 42 4.876 -6.339 -7.462 1.00 0.00 C ATOM 698 CD GLU A 42 5.070 -7.078 -8.789 1.00 0.00 C ATOM 699 OE1 GLU A 42 6.219 -7.068 -9.281 1.00 0.00 O ATOM 700 OE2 GLU A 42 4.065 -7.635 -9.280 1.00 0.00 O ATOM 0 H GLU A 42 4.066 -6.900 -4.064 1.00 0.00 H new ATOM 0 HA GLU A 42 3.205 -7.928 -6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.577 -6.654 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.987 -7.950 -6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.848 -5.985 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.519 -5.459 -7.434 1.00 0.00 H new ATOM 707 N GLU A 43 5.065 -9.795 -4.622 1.00 0.00 N ATOM 708 CA GLU A 43 5.449 -11.165 -4.329 1.00 0.00 C ATOM 709 C GLU A 43 4.322 -11.887 -3.588 1.00 0.00 C ATOM 710 O GLU A 43 4.403 -13.091 -3.349 1.00 0.00 O ATOM 711 CB GLU A 43 6.750 -11.210 -3.526 1.00 0.00 C ATOM 712 CG GLU A 43 7.801 -12.070 -4.231 1.00 0.00 C ATOM 713 CD GLU A 43 9.080 -12.167 -3.397 1.00 0.00 C ATOM 714 OE1 GLU A 43 9.068 -12.962 -2.432 1.00 0.00 O ATOM 715 OE2 GLU A 43 10.039 -11.444 -3.742 1.00 0.00 O ATOM 0 H GLU A 43 5.450 -9.099 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 43 5.625 -11.681 -5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.133 -10.199 -3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.554 -11.611 -2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.401 -13.068 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.031 -11.642 -5.207 1.00 0.00 H new ATOM 722 N LEU A 44 3.297 -11.121 -3.246 1.00 0.00 N ATOM 723 CA LEU A 44 2.155 -11.672 -2.536 1.00 0.00 C ATOM 724 C LEU A 44 1.797 -13.033 -3.135 1.00 0.00 C ATOM 725 O LEU A 44 1.303 -13.112 -4.258 1.00 0.00 O ATOM 726 CB LEU A 44 0.992 -10.676 -2.536 1.00 0.00 C ATOM 727 CG LEU A 44 0.749 -9.930 -1.223 1.00 0.00 C ATOM 728 CD1 LEU A 44 -0.517 -9.075 -1.305 1.00 0.00 C ATOM 729 CD2 LEU A 44 0.710 -10.899 -0.040 1.00 0.00 C ATOM 0 H LEU A 44 3.233 -10.123 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 44 2.402 -11.838 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.169 -9.941 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.080 -11.212 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 44 1.586 -9.252 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.667 -8.555 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.412 -8.345 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.376 -9.715 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.536 -10.342 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.095 -11.619 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.661 -11.427 0.029 1.00 0.00 H new ATOM 741 N GLY A 45 2.060 -14.074 -2.357 1.00 0.00 N ATOM 742 CA GLY A 45 1.773 -15.428 -2.796 1.00 0.00 C ATOM 743 C GLY A 45 2.545 -16.451 -1.960 1.00 0.00 C ATOM 744 O GLY A 45 3.559 -16.120 -1.348 1.00 0.00 O ATOM 0 H GLY A 45 2.469 -14.006 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.703 -15.621 -2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.039 -15.537 -3.847 1.00 0.00 H new ATOM 748 N GLY A 46 2.035 -17.674 -1.960 1.00 0.00 N ATOM 749 CA GLY A 46 2.664 -18.747 -1.209 1.00 0.00 C ATOM 750 C GLY A 46 3.022 -18.290 0.206 1.00 0.00 C ATOM 751 O GLY A 46 4.181 -18.359 0.610 1.00 0.00 O ATOM 0 H GLY A 46 1.193 -17.946 -2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.991 -19.603 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.564 -19.079 -1.726 1.00 0.00 H new ATOM 755 N GLY A 47 2.003 -17.833 0.921 1.00 0.00 N ATOM 756 CA GLY A 47 2.196 -17.364 2.283 1.00 0.00 C ATOM 757 C GLY A 47 0.874 -16.895 2.893 1.00 0.00 C ATOM 758 O GLY A 47 0.581 -17.190 4.050 1.00 0.00 O ATOM 0 H GLY A 47 1.042 -17.778 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.618 -18.165 2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.915 -16.545 2.291 1.00 0.00 H new ATOM 762 N GLY A 48 0.110 -16.172 2.087 1.00 0.00 N ATOM 763 CA GLY A 48 -1.174 -15.658 2.533 1.00 0.00 C ATOM 764 C GLY A 48 -1.002 -14.709 3.721 1.00 0.00 C ATOM 765 O GLY A 48 -1.916 -14.547 4.528 1.00 0.00 O ATOM 0 H GLY A 48 0.356 -15.930 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.665 -15.134 1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.823 -16.487 2.816 1.00 0.00 H new ATOM 769 N GLU A 49 0.176 -14.106 3.790 1.00 0.00 N ATOM 770 CA GLU A 49 0.479 -13.178 4.865 1.00 0.00 C ATOM 771 C GLU A 49 0.111 -11.751 4.453 1.00 0.00 C ATOM 772 O GLU A 49 0.730 -10.790 4.908 1.00 0.00 O ATOM 773 CB GLU A 49 1.952 -13.269 5.270 1.00 0.00 C ATOM 774 CG GLU A 49 2.149 -14.287 6.395 1.00 0.00 C ATOM 775 CD GLU A 49 3.532 -14.935 6.312 1.00 0.00 C ATOM 776 OE1 GLU A 49 4.507 -14.170 6.152 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.583 -16.180 6.412 1.00 0.00 O ATOM 0 H GLU A 49 0.932 -14.242 3.119 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.120 -13.451 5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.553 -13.555 4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.305 -12.290 5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.031 -13.795 7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.379 -15.056 6.333 1.00 0.00 H new ATOM 784 N VAL A 50 -0.895 -11.657 3.597 1.00 0.00 N ATOM 785 CA VAL A 50 -1.353 -10.364 3.118 1.00 0.00 C ATOM 786 C VAL A 50 -1.663 -9.463 4.315 1.00 0.00 C ATOM 787 O VAL A 50 -1.473 -8.249 4.248 1.00 0.00 O ATOM 788 CB VAL A 50 -2.548 -10.545 2.180 1.00 0.00 C ATOM 789 CG1 VAL A 50 -2.936 -9.219 1.523 1.00 0.00 C ATOM 790 CG2 VAL A 50 -2.262 -11.617 1.127 1.00 0.00 C ATOM 0 H VAL A 50 -1.407 -12.456 3.222 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.573 -9.874 2.535 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.395 -10.882 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.788 -9.376 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.203 -8.496 2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.093 -8.839 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.128 -11.725 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.395 -11.323 0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.059 -12.567 1.621 1.00 0.00 H new ATOM 800 N LYS A 51 -2.134 -10.090 5.382 1.00 0.00 N ATOM 801 CA LYS A 51 -2.473 -9.361 6.592 1.00 0.00 C ATOM 802 C LYS A 51 -1.451 -8.242 6.809 1.00 0.00 C ATOM 803 O LYS A 51 -1.784 -7.191 7.354 1.00 0.00 O ATOM 804 CB LYS A 51 -2.598 -10.318 7.778 1.00 0.00 C ATOM 805 CG LYS A 51 -4.024 -10.859 7.899 1.00 0.00 C ATOM 806 CD LYS A 51 -4.183 -11.712 9.158 1.00 0.00 C ATOM 807 CE LYS A 51 -5.509 -12.476 9.140 1.00 0.00 C ATOM 808 NZ LYS A 51 -5.822 -13.003 10.487 1.00 0.00 N ATOM 0 H LYS A 51 -2.289 -11.097 5.434 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.450 -8.888 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.900 -11.146 7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.322 -9.801 8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.730 -10.029 7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.266 -11.455 7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.354 -12.416 9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.138 -11.075 10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.310 -11.817 8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.453 -13.297 8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.725 -13.519 10.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.065 -13.648 10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.896 -12.214 11.160 1.00 0.00 H new ATOM 822 N LYS A 52 -0.229 -8.508 6.372 1.00 0.00 N ATOM 823 CA LYS A 52 0.842 -7.536 6.513 1.00 0.00 C ATOM 824 C LYS A 52 0.637 -6.407 5.502 1.00 0.00 C ATOM 825 O LYS A 52 0.507 -5.244 5.882 1.00 0.00 O ATOM 826 CB LYS A 52 2.206 -8.223 6.400 1.00 0.00 C ATOM 827 CG LYS A 52 2.828 -8.434 7.781 1.00 0.00 C ATOM 828 CD LYS A 52 2.114 -9.556 8.539 1.00 0.00 C ATOM 829 CE LYS A 52 2.165 -9.315 10.048 1.00 0.00 C ATOM 830 NZ LYS A 52 1.618 -10.481 10.778 1.00 0.00 N ATOM 0 H LYS A 52 0.043 -9.381 5.921 1.00 0.00 H new ATOM 0 HA LYS A 52 0.819 -7.084 7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.093 -9.183 5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.872 -7.618 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.885 -8.678 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.771 -7.509 8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.076 -9.618 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.580 -10.513 8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.194 -9.134 10.359 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.594 -8.421 10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.660 -10.301 11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.630 -10.636 10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.180 -11.327 10.552 1.00 0.00 H new ATOM 844 N VAL A 53 0.614 -6.788 4.233 1.00 0.00 N ATOM 845 CA VAL A 53 0.426 -5.822 3.164 1.00 0.00 C ATOM 846 C VAL A 53 -0.660 -4.823 3.570 1.00 0.00 C ATOM 847 O VAL A 53 -0.376 -3.647 3.788 1.00 0.00 O ATOM 848 CB VAL A 53 0.113 -6.545 1.853 1.00 0.00 C ATOM 849 CG1 VAL A 53 -0.724 -5.663 0.925 1.00 0.00 C ATOM 850 CG2 VAL A 53 1.397 -7.006 1.161 1.00 0.00 C ATOM 0 H VAL A 53 0.723 -7.753 3.921 1.00 0.00 H new ATOM 0 HA VAL A 53 1.342 -5.256 2.996 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.475 -7.431 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.932 -6.202 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.663 -5.408 1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.174 -4.750 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.146 -7.517 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.023 -6.141 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.938 -7.689 1.816 1.00 0.00 H new ATOM 860 N GLU A 54 -1.881 -5.330 3.660 1.00 0.00 N ATOM 861 CA GLU A 54 -3.011 -4.497 4.035 1.00 0.00 C ATOM 862 C GLU A 54 -2.611 -3.533 5.154 1.00 0.00 C ATOM 863 O GLU A 54 -2.544 -2.323 4.942 1.00 0.00 O ATOM 864 CB GLU A 54 -4.209 -5.353 4.452 1.00 0.00 C ATOM 865 CG GLU A 54 -4.554 -6.376 3.368 1.00 0.00 C ATOM 866 CD GLU A 54 -5.968 -6.148 2.831 1.00 0.00 C ATOM 867 OE1 GLU A 54 -6.910 -6.654 3.479 1.00 0.00 O ATOM 868 OE2 GLU A 54 -6.076 -5.474 1.784 1.00 0.00 O ATOM 0 H GLU A 54 -2.112 -6.307 3.480 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.310 -3.911 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.985 -5.869 5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.071 -4.712 4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.835 -6.303 2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.474 -7.384 3.775 1.00 0.00 H new ATOM 875 N GLU A 55 -2.354 -4.105 6.321 1.00 0.00 N ATOM 876 CA GLU A 55 -1.963 -3.311 7.474 1.00 0.00 C ATOM 877 C GLU A 55 -0.937 -2.252 7.064 1.00 0.00 C ATOM 878 O GLU A 55 -0.870 -1.182 7.668 1.00 0.00 O ATOM 879 CB GLU A 55 -1.415 -4.201 8.592 1.00 0.00 C ATOM 880 CG GLU A 55 -2.347 -4.190 9.805 1.00 0.00 C ATOM 881 CD GLU A 55 -1.547 -4.167 11.110 1.00 0.00 C ATOM 882 OE1 GLU A 55 -1.191 -5.271 11.577 1.00 0.00 O ATOM 883 OE2 GLU A 55 -1.310 -3.047 11.611 1.00 0.00 O ATOM 0 H GLU A 55 -2.409 -5.109 6.493 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.847 -2.803 7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.300 -5.221 8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.425 -3.854 8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.000 -3.318 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.989 -5.071 9.783 1.00 0.00 H new ATOM 890 N GLU A 56 -0.164 -2.586 6.042 1.00 0.00 N ATOM 891 CA GLU A 56 0.855 -1.676 5.545 1.00 0.00 C ATOM 892 C GLU A 56 0.213 -0.561 4.718 1.00 0.00 C ATOM 893 O GLU A 56 0.588 0.604 4.844 1.00 0.00 O ATOM 894 CB GLU A 56 1.908 -2.428 4.729 1.00 0.00 C ATOM 895 CG GLU A 56 3.310 -1.878 5.005 1.00 0.00 C ATOM 896 CD GLU A 56 3.605 -1.857 6.506 1.00 0.00 C ATOM 897 OE1 GLU A 56 3.141 -2.795 7.188 1.00 0.00 O ATOM 898 OE2 GLU A 56 4.286 -0.902 6.936 1.00 0.00 O ATOM 0 H GLU A 56 -0.222 -3.474 5.544 1.00 0.00 H new ATOM 0 HA GLU A 56 1.359 -1.223 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.875 -3.489 4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.681 -2.340 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.052 -2.491 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.395 -0.870 4.600 1.00 0.00 H new ATOM 905 N VAL A 57 -0.746 -0.956 3.893 1.00 0.00 N ATOM 906 CA VAL A 57 -1.443 -0.004 3.046 1.00 0.00 C ATOM 907 C VAL A 57 -2.341 0.881 3.912 1.00 0.00 C ATOM 908 O VAL A 57 -2.742 1.965 3.492 1.00 0.00 O ATOM 909 CB VAL A 57 -2.211 -0.745 1.949 1.00 0.00 C ATOM 910 CG1 VAL A 57 -2.454 0.164 0.742 1.00 0.00 C ATOM 911 CG2 VAL A 57 -1.480 -2.023 1.536 1.00 0.00 C ATOM 0 H VAL A 57 -1.056 -1.923 3.793 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.732 0.651 2.541 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.182 -1.032 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.001 -0.386 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.036 1.032 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.498 0.495 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.047 -2.530 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.489 -1.770 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.382 -2.681 2.399 1.00 0.00 H new ATOM 921 N LYS A 58 -2.632 0.384 5.106 1.00 0.00 N ATOM 922 CA LYS A 58 -3.476 1.115 6.036 1.00 0.00 C ATOM 923 C LYS A 58 -2.701 2.314 6.587 1.00 0.00 C ATOM 924 O LYS A 58 -3.158 3.451 6.489 1.00 0.00 O ATOM 925 CB LYS A 58 -4.014 0.179 7.120 1.00 0.00 C ATOM 926 CG LYS A 58 -5.375 0.657 7.630 1.00 0.00 C ATOM 927 CD LYS A 58 -6.447 -0.414 7.419 1.00 0.00 C ATOM 928 CE LYS A 58 -7.850 0.173 7.590 1.00 0.00 C ATOM 929 NZ LYS A 58 -8.864 -0.728 6.998 1.00 0.00 N ATOM 0 H LYS A 58 -2.298 -0.516 5.450 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.354 1.510 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.105 -0.831 6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.307 0.132 7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.305 0.902 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.662 1.571 7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.347 -0.842 6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.300 -1.226 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.062 0.323 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.902 1.152 7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.810 -0.315 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.670 -0.850 5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.825 -1.653 7.471 1.00 0.00 H new ATOM 943 N LYS A 59 -1.540 2.018 7.154 1.00 0.00 N ATOM 944 CA LYS A 59 -0.698 3.057 7.720 1.00 0.00 C ATOM 945 C LYS A 59 -0.684 4.265 6.781 1.00 0.00 C ATOM 946 O LYS A 59 -0.538 5.401 7.229 1.00 0.00 O ATOM 947 CB LYS A 59 0.695 2.506 8.033 1.00 0.00 C ATOM 948 CG LYS A 59 1.439 3.418 9.011 1.00 0.00 C ATOM 949 CD LYS A 59 2.917 3.536 8.634 1.00 0.00 C ATOM 950 CE LYS A 59 3.169 4.784 7.786 1.00 0.00 C ATOM 951 NZ LYS A 59 4.458 4.672 7.069 1.00 0.00 N ATOM 0 H LYS A 59 -1.163 1.073 7.233 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.103 3.398 8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.607 1.506 8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.268 2.411 7.111 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.980 4.407 9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.348 3.023 10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.524 3.578 9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.227 2.649 8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.358 4.914 7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.176 5.668 8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.779 5.619 6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.168 4.241 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.335 4.077 6.225 1.00 0.00 H new ATOM 965 N LEU A 60 -0.839 3.978 5.497 1.00 0.00 N ATOM 966 CA LEU A 60 -0.847 5.027 4.491 1.00 0.00 C ATOM 967 C LEU A 60 -2.186 5.765 4.541 1.00 0.00 C ATOM 968 O LEU A 60 -2.249 6.917 4.966 1.00 0.00 O ATOM 969 CB LEU A 60 -0.512 4.451 3.114 1.00 0.00 C ATOM 970 CG LEU A 60 0.958 4.520 2.698 1.00 0.00 C ATOM 971 CD1 LEU A 60 1.480 3.139 2.295 1.00 0.00 C ATOM 972 CD2 LEU A 60 1.167 5.556 1.591 1.00 0.00 C ATOM 0 H LEU A 60 -0.960 3.034 5.130 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.070 5.762 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.827 3.408 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.106 4.978 2.367 1.00 0.00 H new ATOM 0 HG LEU A 60 1.541 4.846 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.527 3.217 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.388 2.455 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.897 2.760 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.221 5.585 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.570 5.284 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.859 6.538 1.949 1.00 0.00 H new ATOM 984 N GLU A 61 -3.225 5.070 4.100 1.00 0.00 N ATOM 985 CA GLU A 61 -4.559 5.645 4.089 1.00 0.00 C ATOM 986 C GLU A 61 -4.748 6.572 5.292 1.00 0.00 C ATOM 987 O GLU A 61 -5.151 7.724 5.135 1.00 0.00 O ATOM 988 CB GLU A 61 -5.628 4.550 4.067 1.00 0.00 C ATOM 989 CG GLU A 61 -5.756 3.937 2.671 1.00 0.00 C ATOM 990 CD GLU A 61 -7.136 4.218 2.073 1.00 0.00 C ATOM 991 OE1 GLU A 61 -8.125 4.027 2.814 1.00 0.00 O ATOM 992 OE2 GLU A 61 -7.172 4.618 0.890 1.00 0.00 O ATOM 0 H GLU A 61 -3.169 4.114 3.748 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.671 6.235 3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.373 3.773 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.587 4.967 4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.983 4.344 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.592 2.861 2.726 1.00 0.00 H new ATOM 999 N GLU A 62 -4.449 6.035 6.464 1.00 0.00 N ATOM 1000 CA GLU A 62 -4.581 6.799 7.693 1.00 0.00 C ATOM 1001 C GLU A 62 -3.773 8.096 7.601 1.00 0.00 C ATOM 1002 O GLU A 62 -4.345 9.184 7.538 1.00 0.00 O ATOM 1003 CB GLU A 62 -4.149 5.969 8.904 1.00 0.00 C ATOM 1004 CG GLU A 62 -5.357 5.568 9.753 1.00 0.00 C ATOM 1005 CD GLU A 62 -5.281 4.092 10.151 1.00 0.00 C ATOM 1006 OE1 GLU A 62 -4.659 3.819 11.200 1.00 0.00 O ATOM 1007 OE2 GLU A 62 -5.846 3.271 9.398 1.00 0.00 O ATOM 0 H GLU A 62 -4.115 5.079 6.590 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.632 7.057 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.623 5.075 8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.448 6.542 9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.399 6.188 10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.275 5.751 9.195 1.00 0.00 H new ATOM 1014 N GLU A 63 -2.458 7.937 7.596 1.00 0.00 N ATOM 1015 CA GLU A 63 -1.567 9.082 7.513 1.00 0.00 C ATOM 1016 C GLU A 63 -1.964 9.978 6.338 1.00 0.00 C ATOM 1017 O GLU A 63 -2.156 11.182 6.508 1.00 0.00 O ATOM 1018 CB GLU A 63 -0.109 8.634 7.392 1.00 0.00 C ATOM 1019 CG GLU A 63 0.795 9.457 8.312 1.00 0.00 C ATOM 1020 CD GLU A 63 1.499 8.560 9.333 1.00 0.00 C ATOM 1021 OE1 GLU A 63 0.816 8.151 10.296 1.00 0.00 O ATOM 1022 OE2 GLU A 63 2.706 8.305 9.127 1.00 0.00 O ATOM 0 H GLU A 63 -1.988 7.033 7.648 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.661 9.659 8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.027 7.577 7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.223 8.740 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.537 9.990 7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.203 10.210 8.831 1.00 0.00 H new ATOM 1029 N ILE A 64 -2.075 9.359 5.172 1.00 0.00 N ATOM 1030 CA ILE A 64 -2.445 10.086 3.971 1.00 0.00 C ATOM 1031 C ILE A 64 -3.737 10.864 4.228 1.00 0.00 C ATOM 1032 O ILE A 64 -3.872 12.009 3.797 1.00 0.00 O ATOM 1033 CB ILE A 64 -2.526 9.137 2.773 1.00 0.00 C ATOM 1034 CG1 ILE A 64 -1.211 8.379 2.583 1.00 0.00 C ATOM 1035 CG2 ILE A 64 -2.946 9.885 1.507 1.00 0.00 C ATOM 1036 CD1 ILE A 64 -0.976 8.050 1.107 1.00 0.00 C ATOM 0 H ILE A 64 -1.915 8.361 5.034 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.678 10.817 3.717 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.298 8.395 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.383 8.979 2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.230 7.458 3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.996 9.187 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.926 10.338 1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.217 10.664 1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.035 7.511 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.793 7.430 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.933 8.974 0.531 1.00 0.00 H new ATOM 1048 N LYS A 65 -4.653 10.212 4.928 1.00 0.00 N ATOM 1049 CA LYS A 65 -5.930 10.828 5.247 1.00 0.00 C ATOM 1050 C LYS A 65 -5.696 12.023 6.174 1.00 0.00 C ATOM 1051 O LYS A 65 -6.514 12.941 6.227 1.00 0.00 O ATOM 1052 CB LYS A 65 -6.899 9.790 5.815 1.00 0.00 C ATOM 1053 CG LYS A 65 -7.669 9.087 4.695 1.00 0.00 C ATOM 1054 CD LYS A 65 -8.871 8.321 5.252 1.00 0.00 C ATOM 1055 CE LYS A 65 -8.867 6.870 4.769 1.00 0.00 C ATOM 1056 NZ LYS A 65 -9.886 6.672 3.714 1.00 0.00 N ATOM 0 H LYS A 65 -4.537 9.263 5.283 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.405 11.212 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.347 9.054 6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.600 10.275 6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.008 9.822 3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.007 8.399 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.849 8.346 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.794 8.809 4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.881 6.612 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.067 6.201 5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.870 5.682 3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.827 6.899 4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.678 7.296 2.909 1.00 0.00 H new ATOM 1070 N LYS A 66 -4.577 11.973 6.881 1.00 0.00 N ATOM 1071 CA LYS A 66 -4.225 13.040 7.803 1.00 0.00 C ATOM 1072 C LYS A 66 -3.374 14.079 7.072 1.00 0.00 C ATOM 1073 O LYS A 66 -3.436 15.268 7.383 1.00 0.00 O ATOM 1074 CB LYS A 66 -3.559 12.468 9.056 1.00 0.00 C ATOM 1075 CG LYS A 66 -4.113 13.125 10.321 1.00 0.00 C ATOM 1076 CD LYS A 66 -3.069 14.041 10.964 1.00 0.00 C ATOM 1077 CE LYS A 66 -3.737 15.100 11.844 1.00 0.00 C ATOM 1078 NZ LYS A 66 -2.725 16.029 12.396 1.00 0.00 N ATOM 0 H LYS A 66 -3.902 11.210 6.834 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.121 13.552 8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.723 11.391 9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.482 12.624 9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.005 13.701 10.075 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.415 12.356 11.032 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.379 13.447 11.563 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.479 14.528 10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.470 15.657 11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.278 14.617 12.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.195 16.741 12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.041 15.496 12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.227 16.504 11.616 1.00 0.00 H new ATOM 1092 N LEU A 67 -2.597 13.594 6.115 1.00 0.00 N ATOM 1093 CA LEU A 67 -1.733 14.466 5.338 1.00 0.00 C ATOM 1094 C LEU A 67 -2.576 15.568 4.692 1.00 0.00 C ATOM 1095 O LEU A 67 -2.399 16.747 4.992 1.00 0.00 O ATOM 1096 CB LEU A 67 -0.912 13.653 4.336 1.00 0.00 C ATOM 1097 CG LEU A 67 0.325 12.948 4.896 1.00 0.00 C ATOM 1098 CD1 LEU A 67 0.807 11.848 3.948 1.00 0.00 C ATOM 1099 CD2 LEU A 67 1.432 13.955 5.217 1.00 0.00 C ATOM 0 H LEU A 67 -2.548 12.608 5.860 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.007 14.957 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.563 12.901 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.594 14.318 3.533 1.00 0.00 H new ATOM 0 HG LEU A 67 0.047 12.465 5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.687 11.363 4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.016 11.110 3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.062 12.285 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.300 13.428 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.714 14.487 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.071 14.668 5.958 1.00 0.00 H new TER 1111 LEU A 67