USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0122) USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.00352) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -145:sc= -0.365 (180deg=-1.68) USER MOD Single : A 17 LYS NZ :NH3+ -121:sc= -0.768 (180deg=-2.15!) 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 34 TYR OH : rot 143:sc= -9.86! 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+ -143:sc= -0.0623 (180deg=-1.26) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.572 -6.191 9.122 1.00 0.00 N ATOM 2 CA GLY A 1 -16.122 -6.092 8.801 1.00 0.00 C ATOM 3 C GLY A 1 -15.872 -5.801 7.334 1.00 0.00 C ATOM 4 O GLY A 1 -14.996 -6.406 6.716 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.690 -6.424 10.129 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.035 -5.282 8.921 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.006 -6.936 8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.672 -5.305 9.406 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.628 -7.025 9.073 1.00 0.00 H new ATOM 10 N SER A 2 -16.643 -4.873 6.777 1.00 0.00 N ATOM 11 CA SER A 2 -16.500 -4.504 5.373 1.00 0.00 C ATOM 12 C SER A 2 -15.581 -3.297 5.218 1.00 0.00 C ATOM 13 O SER A 2 -14.889 -3.158 4.210 1.00 0.00 O ATOM 14 CB SER A 2 -17.870 -4.198 4.764 1.00 0.00 C ATOM 15 OG SER A 2 -17.745 -3.752 3.424 1.00 0.00 O ATOM 0 H SER A 2 -17.372 -4.363 7.275 1.00 0.00 H new ATOM 0 HA SER A 2 -16.054 -5.347 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.494 -5.091 4.796 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.374 -3.436 5.359 1.00 0.00 H new ATOM 0 HG SER A 2 -18.634 -3.565 3.057 1.00 0.00 H new ATOM 21 N ARG A 3 -15.578 -2.427 6.223 1.00 0.00 N ATOM 22 CA ARG A 3 -14.741 -1.232 6.195 1.00 0.00 C ATOM 23 C ARG A 3 -13.265 -1.604 6.100 1.00 0.00 C ATOM 24 O ARG A 3 -12.504 -0.979 5.362 1.00 0.00 O ATOM 25 CB ARG A 3 -14.989 -0.380 7.441 1.00 0.00 C ATOM 26 CG ARG A 3 -14.837 -1.145 8.745 1.00 0.00 C ATOM 27 CD ARG A 3 -13.464 -0.930 9.360 1.00 0.00 C ATOM 28 NE ARG A 3 -13.342 0.386 9.982 1.00 0.00 N ATOM 29 CZ ARG A 3 -13.999 0.750 11.083 1.00 0.00 C ATOM 30 NH1 ARG A 3 -14.822 -0.100 11.683 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -13.830 1.965 11.584 1.00 0.00 N ATOM 0 H ARG A 3 -16.144 -2.526 7.065 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.007 -0.652 5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -14.294 0.460 7.440 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.994 0.038 7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.606 -0.824 9.448 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.994 -2.208 8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.276 -1.702 10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.701 -1.039 8.589 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.718 1.066 9.548 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.954 -1.037 11.302 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.323 0.183 12.525 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.197 2.622 11.127 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.333 2.244 12.427 1.00 0.00 H new ATOM 45 N VAL A 4 -12.866 -2.626 6.851 1.00 0.00 N ATOM 46 CA VAL A 4 -11.480 -3.081 6.849 1.00 0.00 C ATOM 47 C VAL A 4 -11.140 -3.793 5.543 1.00 0.00 C ATOM 48 O VAL A 4 -10.090 -3.548 4.947 1.00 0.00 O ATOM 49 CB VAL A 4 -11.200 -4.033 8.026 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.724 -4.395 8.087 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.657 -3.410 9.337 1.00 0.00 C ATOM 0 H VAL A 4 -13.483 -3.154 7.468 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.854 -2.194 6.952 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.767 -4.950 7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.549 -5.068 8.926 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.431 -4.887 7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.132 -3.489 8.219 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.451 -4.097 10.158 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.120 -2.476 9.503 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.728 -3.210 9.291 1.00 0.00 H new ATOM 61 N LYS A 5 -12.034 -4.672 5.101 1.00 0.00 N ATOM 62 CA LYS A 5 -11.825 -5.415 3.864 1.00 0.00 C ATOM 63 C LYS A 5 -11.715 -4.455 2.684 1.00 0.00 C ATOM 64 O LYS A 5 -10.835 -4.596 1.838 1.00 0.00 O ATOM 65 CB LYS A 5 -12.962 -6.434 3.659 1.00 0.00 C ATOM 66 CG LYS A 5 -13.627 -6.403 2.282 1.00 0.00 C ATOM 67 CD LYS A 5 -13.825 -7.804 1.728 1.00 0.00 C ATOM 68 CE LYS A 5 -15.079 -8.456 2.289 1.00 0.00 C ATOM 69 NZ LYS A 5 -15.830 -9.206 1.244 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.908 -4.887 5.580 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.888 -5.968 3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.566 -7.435 3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.725 -6.259 4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.591 -5.899 2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.014 -5.822 1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.892 -7.760 0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.957 -8.417 1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.805 -9.135 3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.724 -7.691 2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.678 -9.635 1.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.114 -8.554 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.224 -9.953 0.850 1.00 0.00 H new ATOM 83 N ALA A 6 -12.612 -3.477 2.638 1.00 0.00 N ATOM 84 CA ALA A 6 -12.612 -2.490 1.567 1.00 0.00 C ATOM 85 C ALA A 6 -11.265 -1.781 1.494 1.00 0.00 C ATOM 86 O ALA A 6 -10.785 -1.441 0.413 1.00 0.00 O ATOM 87 CB ALA A 6 -13.737 -1.488 1.774 1.00 0.00 C ATOM 0 H ALA A 6 -13.349 -3.347 3.331 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.778 -3.003 0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.725 -0.756 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.694 -2.010 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.599 -0.978 2.728 1.00 0.00 H new ATOM 93 N LEU A 7 -10.664 -1.566 2.658 1.00 0.00 N ATOM 94 CA LEU A 7 -9.369 -0.903 2.750 1.00 0.00 C ATOM 95 C LEU A 7 -8.310 -1.665 1.958 1.00 0.00 C ATOM 96 O LEU A 7 -7.492 -1.069 1.258 1.00 0.00 O ATOM 97 CB LEU A 7 -8.949 -0.810 4.217 1.00 0.00 C ATOM 98 CG LEU A 7 -8.286 0.503 4.628 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.907 0.624 3.999 1.00 0.00 C ATOM 100 CD2 LEU A 7 -9.159 1.686 4.241 1.00 0.00 C ATOM 0 H LEU A 7 -11.056 -1.844 3.558 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.459 0.098 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.830 -0.962 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.261 -1.628 4.433 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.169 0.505 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.450 1.566 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.282 -0.206 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.999 0.599 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.670 2.613 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.310 1.689 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.124 1.605 4.742 1.00 0.00 H new ATOM 112 N GLU A 8 -8.333 -2.985 2.082 1.00 0.00 N ATOM 113 CA GLU A 8 -7.377 -3.842 1.388 1.00 0.00 C ATOM 114 C GLU A 8 -7.551 -3.760 -0.131 1.00 0.00 C ATOM 115 O GLU A 8 -6.591 -3.913 -0.884 1.00 0.00 O ATOM 116 CB GLU A 8 -7.520 -5.294 1.872 1.00 0.00 C ATOM 117 CG GLU A 8 -8.560 -6.112 1.118 1.00 0.00 C ATOM 118 CD GLU A 8 -7.938 -7.046 0.099 1.00 0.00 C ATOM 119 OE1 GLU A 8 -6.887 -6.687 -0.472 1.00 0.00 O1- ATOM 120 OE2 GLU A 8 -8.502 -8.138 -0.128 1.00 0.00 O ATOM 0 H GLU A 8 -9.006 -3.489 2.659 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.373 -3.488 1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.553 -5.790 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.780 -5.287 2.931 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.145 -6.694 1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.252 -5.438 0.613 1.00 0.00 H new ATOM 127 N GLU A 9 -8.786 -3.539 -0.571 1.00 0.00 N ATOM 128 CA GLU A 9 -9.098 -3.460 -1.995 1.00 0.00 C ATOM 129 C GLU A 9 -8.465 -2.239 -2.661 1.00 0.00 C ATOM 130 O GLU A 9 -8.044 -2.307 -3.814 1.00 0.00 O ATOM 131 CB GLU A 9 -10.613 -3.430 -2.198 1.00 0.00 C ATOM 132 CG GLU A 9 -11.305 -4.726 -1.811 1.00 0.00 C ATOM 133 CD GLU A 9 -11.014 -5.855 -2.780 1.00 0.00 C ATOM 134 OE1 GLU A 9 -11.293 -5.687 -3.987 1.00 0.00 O1- ATOM 135 OE2 GLU A 9 -10.509 -6.906 -2.334 1.00 0.00 O ATOM 0 H GLU A 9 -9.591 -3.411 0.042 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.677 -4.347 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.034 -2.614 -1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.827 -3.212 -3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.986 -5.019 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.381 -4.559 -1.766 1.00 0.00 H new ATOM 142 N LYS A 10 -8.419 -1.121 -1.944 1.00 0.00 N ATOM 143 CA LYS A 10 -7.852 0.112 -2.490 1.00 0.00 C ATOM 144 C LYS A 10 -6.331 0.035 -2.611 1.00 0.00 C ATOM 145 O LYS A 10 -5.744 0.594 -3.536 1.00 0.00 O ATOM 146 CB LYS A 10 -8.250 1.311 -1.623 1.00 0.00 C ATOM 147 CG LYS A 10 -7.770 1.218 -0.184 1.00 0.00 C ATOM 148 CD LYS A 10 -7.459 2.591 0.388 1.00 0.00 C ATOM 149 CE LYS A 10 -8.728 3.370 0.692 1.00 0.00 C ATOM 150 NZ LYS A 10 -9.323 3.964 -0.536 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.765 -1.041 -0.988 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.258 0.241 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.849 2.220 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.336 1.406 -1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.533 0.733 0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.879 0.592 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.871 2.482 1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.848 3.151 -0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.455 2.709 1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.505 4.162 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.751 4.883 -0.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.580 4.098 -1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.054 3.327 -0.911 1.00 0.00 H new ATOM 164 N VAL A 11 -5.697 -0.652 -1.666 1.00 0.00 N ATOM 165 CA VAL A 11 -4.243 -0.791 -1.660 1.00 0.00 C ATOM 166 C VAL A 11 -3.745 -1.590 -2.863 1.00 0.00 C ATOM 167 O VAL A 11 -2.709 -1.273 -3.447 1.00 0.00 O ATOM 168 CB VAL A 11 -3.764 -1.482 -0.367 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.245 -1.542 -0.312 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.319 -0.767 0.856 1.00 0.00 C ATOM 0 H VAL A 11 -6.167 -1.122 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.830 0.216 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.140 -2.505 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.933 -2.034 0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.872 -2.105 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.840 -0.530 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.971 -1.268 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.976 0.268 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.408 -0.788 0.826 1.00 0.00 H new ATOM 180 N LYS A 12 -4.486 -2.630 -3.219 1.00 0.00 N ATOM 181 CA LYS A 12 -4.129 -3.489 -4.342 1.00 0.00 C ATOM 182 C LYS A 12 -4.287 -2.763 -5.668 1.00 0.00 C ATOM 183 O LYS A 12 -3.483 -2.942 -6.582 1.00 0.00 O ATOM 184 CB LYS A 12 -4.970 -4.767 -4.332 1.00 0.00 C ATOM 185 CG LYS A 12 -4.137 -6.038 -4.399 1.00 0.00 C ATOM 186 CD LYS A 12 -4.125 -6.773 -3.067 1.00 0.00 C ATOM 187 CE LYS A 12 -4.287 -8.273 -3.257 1.00 0.00 C ATOM 188 NZ LYS A 12 -2.994 -8.937 -3.577 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.346 -2.902 -2.742 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.079 -3.759 -4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.577 -4.787 -3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.658 -4.747 -5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.535 -6.694 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.116 -5.789 -4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.189 -6.570 -2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.929 -6.396 -2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.705 -8.710 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.000 -8.462 -4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.149 -9.958 -3.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.607 -8.538 -4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.321 -8.779 -2.800 1.00 0.00 H new ATOM 202 N ALA A 13 -5.322 -1.940 -5.770 1.00 0.00 N ATOM 203 CA ALA A 13 -5.568 -1.192 -6.991 1.00 0.00 C ATOM 204 C ALA A 13 -4.346 -0.358 -7.338 1.00 0.00 C ATOM 205 O ALA A 13 -3.993 -0.207 -8.508 1.00 0.00 O ATOM 206 CB ALA A 13 -6.796 -0.307 -6.838 1.00 0.00 C ATOM 0 H ALA A 13 -6.000 -1.775 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.758 -1.894 -7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.964 0.245 -7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.666 -0.927 -6.622 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.639 0.395 -6.019 1.00 0.00 H new ATOM 212 N LEU A 14 -3.687 0.157 -6.306 1.00 0.00 N ATOM 213 CA LEU A 14 -2.479 0.949 -6.506 1.00 0.00 C ATOM 214 C LEU A 14 -1.334 0.056 -6.965 1.00 0.00 C ATOM 215 O LEU A 14 -0.451 0.488 -7.696 1.00 0.00 O ATOM 216 CB LEU A 14 -2.085 1.692 -5.231 1.00 0.00 C ATOM 217 CG LEU A 14 -1.276 2.969 -5.469 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.522 3.975 -4.357 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.208 2.647 -5.591 1.00 0.00 C ATOM 0 H LEU A 14 -3.965 0.042 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.688 1.689 -7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.990 1.947 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.504 1.021 -4.598 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.606 3.415 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.938 4.876 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.581 4.230 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.224 3.542 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.767 3.567 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.555 2.175 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.365 1.968 -6.429 1.00 0.00 H new ATOM 231 N GLU A 15 -1.358 -1.194 -6.517 1.00 0.00 N ATOM 232 CA GLU A 15 -0.327 -2.167 -6.866 1.00 0.00 C ATOM 233 C GLU A 15 -0.132 -2.265 -8.378 1.00 0.00 C ATOM 234 O GLU A 15 0.988 -2.417 -8.862 1.00 0.00 O ATOM 235 CB GLU A 15 -0.700 -3.538 -6.305 1.00 0.00 C ATOM 236 CG GLU A 15 0.438 -4.538 -6.346 1.00 0.00 C ATOM 237 CD GLU A 15 -0.003 -5.906 -6.830 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.222 -6.062 -8.050 1.00 0.00 O ATOM 239 OE2 GLU A 15 -0.128 -6.822 -5.990 1.00 0.00 O1- ATOM 0 H GLU A 15 -2.087 -1.561 -5.905 1.00 0.00 H new ATOM 0 HA GLU A 15 0.613 -1.830 -6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.034 -3.421 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.543 -3.936 -6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.224 -4.161 -7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.870 -4.631 -5.350 1.00 0.00 H new ATOM 246 N GLU A 16 -1.235 -2.196 -9.111 1.00 0.00 N ATOM 247 CA GLU A 16 -1.211 -2.292 -10.569 1.00 0.00 C ATOM 248 C GLU A 16 -0.402 -1.164 -11.191 1.00 0.00 C ATOM 249 O GLU A 16 0.289 -1.363 -12.189 1.00 0.00 O ATOM 250 CB GLU A 16 -2.638 -2.272 -11.122 1.00 0.00 C ATOM 251 CG GLU A 16 -3.394 -3.572 -10.902 1.00 0.00 C ATOM 252 CD GLU A 16 -4.245 -3.960 -12.096 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.394 -3.478 -12.188 1.00 0.00 O ATOM 254 OE2 GLU A 16 -3.764 -4.746 -12.938 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.168 -2.073 -8.717 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.732 -3.235 -10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.189 -1.457 -10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.602 -2.059 -12.190 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.683 -4.371 -10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.031 -3.474 -10.023 1.00 0.00 H new ATOM 261 N LYS A 17 -0.495 0.019 -10.602 1.00 0.00 N ATOM 262 CA LYS A 17 0.228 1.179 -11.102 1.00 0.00 C ATOM 263 C LYS A 17 1.731 1.032 -10.863 1.00 0.00 C ATOM 264 O LYS A 17 2.543 1.563 -11.620 1.00 0.00 O ATOM 265 CB LYS A 17 -0.305 2.470 -10.465 1.00 0.00 C ATOM 266 CG LYS A 17 0.142 2.696 -9.028 1.00 0.00 C ATOM 267 CD LYS A 17 0.739 4.081 -8.841 1.00 0.00 C ATOM 268 CE LYS A 17 1.960 4.287 -9.723 1.00 0.00 C ATOM 269 NZ LYS A 17 1.643 5.092 -10.936 1.00 0.00 N1+ ATOM 0 H LYS A 17 -1.065 0.201 -9.776 1.00 0.00 H new ATOM 0 HA LYS A 17 0.064 1.240 -12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.016 3.318 -11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.394 2.452 -10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.708 2.572 -8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.878 1.941 -8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.011 4.836 -9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.016 4.220 -7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.741 4.787 -9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.357 3.318 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.866 4.539 -11.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.632 5.336 -10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.210 5.964 -10.932 1.00 0.00 H new ATOM 283 N VAL A 18 2.093 0.326 -9.795 1.00 0.00 N ATOM 284 CA VAL A 18 3.499 0.130 -9.446 1.00 0.00 C ATOM 285 C VAL A 18 4.238 -0.695 -10.500 1.00 0.00 C ATOM 286 O VAL A 18 5.333 -0.332 -10.924 1.00 0.00 O ATOM 287 CB VAL A 18 3.639 -0.567 -8.079 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.092 -0.584 -7.629 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.761 0.115 -7.041 1.00 0.00 C ATOM 0 H VAL A 18 1.434 -0.120 -9.157 1.00 0.00 H new ATOM 0 HA VAL A 18 3.947 1.122 -9.399 1.00 0.00 H new ATOM 0 HB VAL A 18 3.306 -1.599 -8.185 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.168 -1.081 -6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.693 -1.122 -8.361 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.458 0.439 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.872 -0.390 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.061 1.158 -6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.719 0.067 -7.358 1.00 0.00 H new ATOM 299 N LYS A 19 3.635 -1.799 -10.924 1.00 0.00 N ATOM 300 CA LYS A 19 4.246 -2.657 -11.933 1.00 0.00 C ATOM 301 C LYS A 19 4.238 -1.977 -13.299 1.00 0.00 C ATOM 302 O LYS A 19 5.060 -2.280 -14.165 1.00 0.00 O ATOM 303 CB LYS A 19 3.510 -3.999 -12.005 1.00 0.00 C ATOM 304 CG LYS A 19 2.206 -3.945 -12.789 1.00 0.00 C ATOM 305 CD LYS A 19 1.038 -4.474 -11.977 1.00 0.00 C ATOM 306 CE LYS A 19 1.103 -5.985 -11.820 1.00 0.00 C ATOM 307 NZ LYS A 19 -0.234 -6.618 -11.990 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.728 -2.121 -10.587 1.00 0.00 H new ATOM 0 HA LYS A 19 5.282 -2.838 -11.646 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.167 -4.739 -12.462 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.300 -4.342 -10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.004 -2.917 -13.089 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.307 -4.529 -13.704 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.037 -4.005 -10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.102 -4.198 -12.463 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.796 -6.397 -12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.499 -6.231 -10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.147 -7.648 -11.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.889 -6.244 -11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.601 -6.405 -12.939 1.00 0.00 H new ATOM 321 N ALA A 20 3.286 -1.070 -13.487 1.00 0.00 N ATOM 322 CA ALA A 20 3.140 -0.356 -14.746 1.00 0.00 C ATOM 323 C ALA A 20 4.097 0.832 -14.844 1.00 0.00 C ATOM 324 O ALA A 20 4.282 1.398 -15.921 1.00 0.00 O ATOM 325 CB ALA A 20 1.701 0.109 -14.913 1.00 0.00 C ATOM 0 H ALA A 20 2.601 -0.812 -12.777 1.00 0.00 H new ATOM 0 HA ALA A 20 3.395 -1.045 -15.551 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.598 0.643 -15.858 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.037 -0.755 -14.911 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.435 0.773 -14.090 1.00 0.00 H new ATOM 331 N LEU A 21 4.702 1.209 -13.721 1.00 0.00 N ATOM 332 CA LEU A 21 5.632 2.332 -13.701 1.00 0.00 C ATOM 333 C LEU A 21 6.966 1.949 -14.339 1.00 0.00 C ATOM 334 O LEU A 21 7.661 2.794 -14.901 1.00 0.00 O ATOM 335 CB LEU A 21 5.848 2.825 -12.265 1.00 0.00 C ATOM 336 CG LEU A 21 6.835 2.006 -11.428 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.242 2.561 -11.574 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.414 1.998 -9.965 1.00 0.00 C ATOM 0 H LEU A 21 4.565 0.755 -12.818 1.00 0.00 H new ATOM 0 HA LEU A 21 5.196 3.142 -14.286 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.199 3.856 -12.302 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.885 2.834 -11.754 1.00 0.00 H new ATOM 0 HG LEU A 21 6.829 0.979 -11.793 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.931 1.968 -10.973 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.543 2.518 -12.621 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.262 3.596 -11.233 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.126 1.412 -9.385 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.392 3.020 -9.587 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.422 1.557 -9.874 1.00 0.00 H new ATOM 350 N GLY A 22 7.315 0.669 -14.248 1.00 0.00 N ATOM 351 CA GLY A 22 8.562 0.197 -14.821 1.00 0.00 C ATOM 352 C GLY A 22 9.001 -1.132 -14.241 1.00 0.00 C ATOM 353 O GLY A 22 8.175 -1.916 -13.772 1.00 0.00 O ATOM 0 H GLY A 22 6.756 -0.049 -13.788 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.448 0.099 -15.901 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.341 0.940 -14.649 1.00 0.00 H new ATOM 357 N GLY A 23 10.305 -1.389 -14.274 1.00 0.00 N ATOM 358 CA GLY A 23 10.829 -2.634 -13.746 1.00 0.00 C ATOM 359 C GLY A 23 12.332 -2.593 -13.551 1.00 0.00 C ATOM 360 O GLY A 23 13.082 -2.361 -14.500 1.00 0.00 O ATOM 0 H GLY A 23 11.008 -0.757 -14.657 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.348 -2.852 -12.793 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.576 -3.448 -14.425 1.00 0.00 H new ATOM 364 N GLY A 24 12.774 -2.818 -12.319 1.00 0.00 N ATOM 365 CA GLY A 24 14.195 -2.801 -12.026 1.00 0.00 C ATOM 366 C GLY A 24 14.490 -3.090 -10.567 1.00 0.00 C ATOM 367 O GLY A 24 13.803 -3.892 -9.935 1.00 0.00 O ATOM 0 H GLY A 24 12.174 -3.012 -11.518 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.700 -3.539 -12.649 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.606 -1.827 -12.290 1.00 0.00 H new ATOM 371 N GLY A 25 15.515 -2.435 -10.033 1.00 0.00 N ATOM 372 CA GLY A 25 15.882 -2.638 -8.645 1.00 0.00 C ATOM 373 C GLY A 25 15.019 -1.836 -7.690 1.00 0.00 C ATOM 374 O GLY A 25 14.693 -2.302 -6.598 1.00 0.00 O ATOM 0 H GLY A 25 16.098 -1.767 -10.537 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.798 -3.697 -8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.927 -2.361 -8.505 1.00 0.00 H new ATOM 378 N ARG A 26 14.648 -0.627 -8.100 1.00 0.00 N ATOM 379 CA ARG A 26 13.818 0.238 -7.270 1.00 0.00 C ATOM 380 C ARG A 26 12.343 -0.127 -7.407 1.00 0.00 C ATOM 381 O ARG A 26 11.581 -0.002 -6.456 1.00 0.00 O ATOM 382 CB ARG A 26 14.033 1.709 -7.648 1.00 0.00 C ATOM 383 CG ARG A 26 12.940 2.638 -7.140 1.00 0.00 C ATOM 384 CD ARG A 26 13.466 4.040 -6.881 1.00 0.00 C ATOM 385 NE ARG A 26 14.002 4.181 -5.529 1.00 0.00 N ATOM 386 CZ ARG A 26 14.703 5.235 -5.116 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.956 6.240 -5.946 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 15.154 5.284 -3.870 1.00 0.00 N ATOM 0 H ARG A 26 14.909 -0.225 -9.000 1.00 0.00 H new ATOM 0 HA ARG A 26 14.113 0.093 -6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 26 14.993 2.040 -7.251 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.092 1.791 -8.733 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.132 2.682 -7.870 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.517 2.233 -6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.245 4.275 -7.606 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.663 4.762 -7.030 1.00 0.00 H new ATOM 0 HE ARG A 26 13.829 3.428 -4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.613 6.207 -6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.494 7.045 -5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.964 4.514 -3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.691 6.091 -3.553 1.00 0.00 H new ATOM 402 N ILE A 27 11.947 -0.553 -8.599 1.00 0.00 N ATOM 403 CA ILE A 27 10.559 -0.927 -8.867 1.00 0.00 C ATOM 404 C ILE A 27 10.141 -2.194 -8.114 1.00 0.00 C ATOM 405 O ILE A 27 9.048 -2.260 -7.551 1.00 0.00 O ATOM 406 CB ILE A 27 10.306 -1.144 -10.376 1.00 0.00 C ATOM 407 CG1 ILE A 27 11.110 -0.148 -11.221 1.00 0.00 C ATOM 408 CG2 ILE A 27 8.822 -1.021 -10.683 1.00 0.00 C ATOM 409 CD1 ILE A 27 10.984 1.287 -10.757 1.00 0.00 C ATOM 0 H ILE A 27 12.569 -0.650 -9.402 1.00 0.00 H new ATOM 0 HA ILE A 27 9.957 -0.091 -8.512 1.00 0.00 H new ATOM 0 HB ILE A 27 10.639 -2.149 -10.634 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.161 -0.435 -11.202 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.780 -0.215 -12.258 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.657 -1.176 -11.749 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.270 -1.772 -10.118 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.474 -0.027 -10.403 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.580 1.932 -11.403 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.939 1.594 -10.803 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.342 1.370 -9.731 1.00 0.00 H new ATOM 421 N GLU A 28 11.003 -3.209 -8.143 1.00 0.00 N ATOM 422 CA GLU A 28 10.716 -4.496 -7.501 1.00 0.00 C ATOM 423 C GLU A 28 10.700 -4.407 -5.976 1.00 0.00 C ATOM 424 O GLU A 28 9.891 -5.060 -5.320 1.00 0.00 O ATOM 425 CB GLU A 28 11.745 -5.539 -7.941 1.00 0.00 C ATOM 426 CG GLU A 28 11.599 -5.964 -9.393 1.00 0.00 C ATOM 427 CD GLU A 28 11.185 -7.415 -9.538 1.00 0.00 C ATOM 428 OE1 GLU A 28 12.073 -8.293 -9.500 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 9.972 -7.675 -9.689 1.00 0.00 O ATOM 0 H GLU A 28 11.911 -3.167 -8.606 1.00 0.00 H new ATOM 0 HA GLU A 28 9.716 -4.792 -7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.746 -5.136 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.654 -6.418 -7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.860 -5.329 -9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.545 -5.807 -9.910 1.00 0.00 H new ATOM 436 N GLU A 29 11.603 -3.619 -5.415 1.00 0.00 N ATOM 437 CA GLU A 29 11.693 -3.467 -3.965 1.00 0.00 C ATOM 438 C GLU A 29 10.480 -2.730 -3.401 1.00 0.00 C ATOM 439 O GLU A 29 9.997 -3.042 -2.312 1.00 0.00 O ATOM 440 CB GLU A 29 12.974 -2.719 -3.591 1.00 0.00 C ATOM 441 CG GLU A 29 13.015 -1.289 -4.103 1.00 0.00 C ATOM 442 CD GLU A 29 14.316 -0.587 -3.770 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.390 -1.166 -4.040 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 14.263 0.541 -3.238 1.00 0.00 O ATOM 0 H GLU A 29 12.286 -3.073 -5.939 1.00 0.00 H new ATOM 0 HA GLU A 29 11.714 -4.466 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.076 -2.711 -2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.831 -3.263 -3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.873 -1.290 -5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.184 -0.729 -3.673 1.00 0.00 H new ATOM 451 N LEU A 30 10.019 -1.733 -4.141 1.00 0.00 N ATOM 452 CA LEU A 30 8.890 -0.909 -3.735 1.00 0.00 C ATOM 453 C LEU A 30 7.611 -1.726 -3.559 1.00 0.00 C ATOM 454 O LEU A 30 6.904 -1.574 -2.563 1.00 0.00 O ATOM 455 CB LEU A 30 8.673 0.173 -4.791 1.00 0.00 C ATOM 456 CG LEU A 30 8.487 1.589 -4.255 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.797 2.121 -3.693 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.970 2.501 -5.358 1.00 0.00 C ATOM 0 H LEU A 30 10.418 -1.472 -5.043 1.00 0.00 H new ATOM 0 HA LEU A 30 9.120 -0.465 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.526 0.170 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.795 -0.091 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 30 7.754 1.565 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.647 3.132 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.133 1.476 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.551 2.136 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.840 3.510 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.686 2.521 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.012 2.127 -5.720 1.00 0.00 H new ATOM 470 N LYS A 31 7.316 -2.588 -4.526 1.00 0.00 N ATOM 471 CA LYS A 31 6.114 -3.416 -4.457 1.00 0.00 C ATOM 472 C LYS A 31 6.199 -4.413 -3.313 1.00 0.00 C ATOM 473 O LYS A 31 5.192 -4.730 -2.684 1.00 0.00 O ATOM 474 CB LYS A 31 5.841 -4.145 -5.775 1.00 0.00 C ATOM 475 CG LYS A 31 7.084 -4.469 -6.588 1.00 0.00 C ATOM 476 CD LYS A 31 6.954 -5.810 -7.292 1.00 0.00 C ATOM 477 CE LYS A 31 5.788 -5.817 -8.266 1.00 0.00 C ATOM 478 NZ LYS A 31 5.908 -6.911 -9.269 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.885 -2.732 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 31 5.278 -2.741 -4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.312 -5.073 -5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.175 -3.533 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.253 -3.684 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.955 -4.483 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.877 -6.032 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.816 -6.599 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.855 -5.931 -7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.739 -4.857 -8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.093 -6.881 -9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.786 -6.788 -9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.929 -7.829 -8.781 1.00 0.00 H new ATOM 492 N LYS A 32 7.404 -4.907 -3.041 1.00 0.00 N ATOM 493 CA LYS A 32 7.604 -5.867 -1.962 1.00 0.00 C ATOM 494 C LYS A 32 7.099 -5.283 -0.649 1.00 0.00 C ATOM 495 O LYS A 32 6.473 -5.974 0.154 1.00 0.00 O ATOM 496 CB LYS A 32 9.084 -6.236 -1.840 1.00 0.00 C ATOM 497 CG LYS A 32 9.592 -7.097 -2.986 1.00 0.00 C ATOM 498 CD LYS A 32 11.112 -7.154 -3.011 1.00 0.00 C ATOM 499 CE LYS A 32 11.628 -8.533 -2.631 1.00 0.00 C ATOM 500 NZ LYS A 32 13.043 -8.489 -2.171 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.252 -4.659 -3.551 1.00 0.00 H new ATOM 0 HA LYS A 32 7.041 -6.772 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.675 -5.322 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.242 -6.766 -0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.191 -8.106 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.226 -6.698 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.470 -6.893 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.516 -6.412 -2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.002 -8.950 -1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.546 -9.200 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.357 -9.449 -1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.644 -8.115 -2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.118 -7.872 -1.337 1.00 0.00 H new ATOM 514 N LYS A 33 7.357 -3.995 -0.453 1.00 0.00 N ATOM 515 CA LYS A 33 6.911 -3.297 0.743 1.00 0.00 C ATOM 516 C LYS A 33 5.389 -3.252 0.781 1.00 0.00 C ATOM 517 O LYS A 33 4.780 -3.335 1.845 1.00 0.00 O ATOM 518 CB LYS A 33 7.480 -1.877 0.777 1.00 0.00 C ATOM 519 CG LYS A 33 7.242 -1.158 2.094 1.00 0.00 C ATOM 520 CD LYS A 33 7.982 0.169 2.146 1.00 0.00 C ATOM 521 CE LYS A 33 9.318 0.034 2.859 1.00 0.00 C ATOM 522 NZ LYS A 33 10.294 1.064 2.409 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.875 -3.413 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 33 7.273 -3.837 1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.552 -1.919 0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.034 -1.296 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.174 -0.986 2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.569 -1.791 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.145 0.536 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.368 0.909 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.166 0.123 3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.728 -0.959 2.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.192 0.938 2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.459 0.963 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.914 2.012 2.606 1.00 0.00 H new ATOM 536 N TYR A 34 4.783 -3.118 -0.398 1.00 0.00 N ATOM 537 CA TYR A 34 3.330 -3.059 -0.522 1.00 0.00 C ATOM 538 C TYR A 34 2.675 -4.297 0.092 1.00 0.00 C ATOM 539 O TYR A 34 1.619 -4.202 0.715 1.00 0.00 O ATOM 540 CB TYR A 34 2.927 -2.917 -1.996 1.00 0.00 C ATOM 541 CG TYR A 34 2.151 -1.655 -2.291 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.806 -1.549 -1.962 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.766 -0.568 -2.899 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.095 -0.396 -2.234 1.00 0.00 C ATOM 545 CE2 TYR A 34 2.061 0.589 -3.173 1.00 0.00 C ATOM 546 CZ TYR A 34 0.726 0.668 -2.837 1.00 0.00 C ATOM 547 OH TYR A 34 0.021 1.817 -3.104 1.00 0.00 O ATOM 0 H TYR A 34 5.281 -3.048 -1.285 1.00 0.00 H new ATOM 0 HA TYR A 34 2.978 -2.184 0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.825 -2.934 -2.613 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.326 -3.779 -2.285 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.308 -2.381 -1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.812 -0.628 -3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.951 -0.330 -1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.553 1.426 -3.647 1.00 0.00 H new ATOM 0 HH TYR A 34 0.597 2.596 -2.957 1.00 0.00 H new ATOM 557 N GLU A 35 3.307 -5.456 -0.077 1.00 0.00 N ATOM 558 CA GLU A 35 2.776 -6.699 0.475 1.00 0.00 C ATOM 559 C GLU A 35 2.598 -6.569 1.983 1.00 0.00 C ATOM 560 O GLU A 35 1.628 -7.069 2.554 1.00 0.00 O ATOM 561 CB GLU A 35 3.711 -7.868 0.157 1.00 0.00 C ATOM 562 CG GLU A 35 3.979 -8.046 -1.328 1.00 0.00 C ATOM 563 CD GLU A 35 4.392 -9.462 -1.679 1.00 0.00 C ATOM 564 OE1 GLU A 35 3.547 -10.374 -1.562 1.00 0.00 O ATOM 565 OE2 GLU A 35 5.561 -9.659 -2.071 1.00 0.00 O1- ATOM 0 H GLU A 35 4.183 -5.560 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 35 1.806 -6.894 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.659 -7.715 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.278 -8.787 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.083 -7.783 -1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.763 -7.355 -1.638 1.00 0.00 H new ATOM 572 N GLU A 36 3.540 -5.878 2.615 1.00 0.00 N ATOM 573 CA GLU A 36 3.500 -5.653 4.053 1.00 0.00 C ATOM 574 C GLU A 36 2.287 -4.809 4.426 1.00 0.00 C ATOM 575 O GLU A 36 1.667 -5.017 5.467 1.00 0.00 O ATOM 576 CB GLU A 36 4.784 -4.962 4.519 1.00 0.00 C ATOM 577 CG GLU A 36 5.363 -5.550 5.795 1.00 0.00 C ATOM 578 CD GLU A 36 6.613 -6.370 5.544 1.00 0.00 C ATOM 579 OE1 GLU A 36 6.593 -7.217 4.627 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 7.611 -6.167 6.266 1.00 0.00 O ATOM 0 H GLU A 36 4.346 -5.462 2.149 1.00 0.00 H new ATOM 0 HA GLU A 36 3.420 -6.619 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.530 -5.028 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.580 -3.903 4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.596 -4.743 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.612 -6.177 6.275 1.00 0.00 H new ATOM 587 N LEU A 37 1.967 -3.849 3.566 1.00 0.00 N ATOM 588 CA LEU A 37 0.840 -2.951 3.785 1.00 0.00 C ATOM 589 C LEU A 37 -0.469 -3.727 3.918 1.00 0.00 C ATOM 590 O LEU A 37 -1.336 -3.365 4.713 1.00 0.00 O ATOM 591 CB LEU A 37 0.744 -1.959 2.620 1.00 0.00 C ATOM 592 CG LEU A 37 1.250 -0.548 2.914 1.00 0.00 C ATOM 593 CD1 LEU A 37 1.393 0.240 1.625 1.00 0.00 C ATOM 594 CD2 LEU A 37 0.312 0.163 3.876 1.00 0.00 C ATOM 0 H LEU A 37 2.479 -3.672 2.702 1.00 0.00 H new ATOM 0 HA LEU A 37 1.006 -2.411 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.307 -2.360 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.298 -1.894 2.306 1.00 0.00 H new ATOM 0 HG LEU A 37 2.231 -0.621 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.754 1.243 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.103 -0.263 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.424 0.306 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.687 1.167 4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.682 0.228 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.257 -0.396 4.810 1.00 0.00 H new ATOM 606 N LYS A 38 -0.609 -4.793 3.136 1.00 0.00 N ATOM 607 CA LYS A 38 -1.815 -5.614 3.171 1.00 0.00 C ATOM 608 C LYS A 38 -1.971 -6.307 4.522 1.00 0.00 C ATOM 609 O LYS A 38 -3.076 -6.417 5.050 1.00 0.00 O ATOM 610 CB LYS A 38 -1.779 -6.659 2.053 1.00 0.00 C ATOM 611 CG LYS A 38 -1.508 -6.072 0.677 1.00 0.00 C ATOM 612 CD LYS A 38 -0.915 -7.110 -0.262 1.00 0.00 C ATOM 613 CE LYS A 38 -0.471 -6.487 -1.575 1.00 0.00 C ATOM 614 NZ LYS A 38 0.132 -7.493 -2.492 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.097 -5.109 2.471 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.671 -4.956 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.010 -7.397 2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.732 -7.188 2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.436 -5.686 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.824 -5.228 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.064 -7.592 0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.653 -7.888 -0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.326 -6.019 -2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.254 -5.698 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.913 -7.056 -3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.496 -8.294 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.591 -7.833 -3.158 1.00 0.00 H new ATOM 628 N LYS A 39 -0.855 -6.780 5.066 1.00 0.00 N ATOM 629 CA LYS A 39 -0.851 -7.473 6.351 1.00 0.00 C ATOM 630 C LYS A 39 -1.385 -6.584 7.470 1.00 0.00 C ATOM 631 O LYS A 39 -2.074 -7.059 8.369 1.00 0.00 O ATOM 632 CB LYS A 39 0.563 -7.944 6.692 1.00 0.00 C ATOM 633 CG LYS A 39 1.111 -8.977 5.719 1.00 0.00 C ATOM 634 CD LYS A 39 2.250 -9.777 6.335 1.00 0.00 C ATOM 635 CE LYS A 39 3.600 -9.345 5.784 1.00 0.00 C ATOM 636 NZ LYS A 39 4.522 -8.898 6.864 1.00 0.00 N1+ ATOM 0 H LYS A 39 0.065 -6.696 4.634 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.510 -8.337 6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.230 -7.082 6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.564 -8.367 7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.312 -9.654 5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.463 -8.477 4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.241 -9.650 7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.098 -10.838 6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.053 -10.174 5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.458 -8.535 5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.431 -8.612 6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.102 -8.090 7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.678 -9.679 7.533 1.00 0.00 H new ATOM 650 N LYS A 40 -1.054 -5.298 7.417 1.00 0.00 N ATOM 651 CA LYS A 40 -1.491 -4.346 8.435 1.00 0.00 C ATOM 652 C LYS A 40 -3.014 -4.255 8.488 1.00 0.00 C ATOM 653 O LYS A 40 -3.599 -4.060 9.553 1.00 0.00 O ATOM 654 CB LYS A 40 -0.894 -2.964 8.156 1.00 0.00 C ATOM 655 CG LYS A 40 -0.403 -2.252 9.405 1.00 0.00 C ATOM 656 CD LYS A 40 0.754 -1.318 9.094 1.00 0.00 C ATOM 657 CE LYS A 40 2.091 -2.035 9.193 1.00 0.00 C ATOM 658 NZ LYS A 40 3.232 -1.080 9.232 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.483 -4.889 6.678 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.137 -4.702 9.403 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.064 -3.070 7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.645 -2.345 7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.222 -1.684 9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.089 -2.988 10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.633 -0.909 8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.739 -0.476 9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.105 -2.654 10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.207 -2.705 8.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.125 -1.609 9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.234 -0.506 8.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.135 -0.457 10.059 1.00 0.00 H new ATOM 672 N ILE A 41 -3.646 -4.400 7.330 1.00 0.00 N ATOM 673 CA ILE A 41 -5.098 -4.339 7.233 1.00 0.00 C ATOM 674 C ILE A 41 -5.727 -5.569 7.873 1.00 0.00 C ATOM 675 O ILE A 41 -6.800 -5.499 8.474 1.00 0.00 O ATOM 676 CB ILE A 41 -5.554 -4.242 5.763 1.00 0.00 C ATOM 677 CG1 ILE A 41 -4.831 -3.093 5.059 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.064 -4.055 5.681 1.00 0.00 C ATOM 679 CD1 ILE A 41 -4.815 -3.221 3.552 1.00 0.00 C ATOM 0 H ILE A 41 -3.172 -4.561 6.441 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.425 -3.445 7.763 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.298 -5.174 5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.310 -2.152 5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.804 -3.044 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.366 -3.989 4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.562 -4.904 6.149 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.346 -3.138 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.286 -2.371 3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.309 -4.145 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.838 -3.239 3.178 1.00 0.00 H new ATOM 691 N GLU A 42 -5.043 -6.695 7.739 1.00 0.00 N ATOM 692 CA GLU A 42 -5.503 -7.957 8.296 1.00 0.00 C ATOM 693 C GLU A 42 -5.566 -7.893 9.820 1.00 0.00 C ATOM 694 O GLU A 42 -6.418 -8.525 10.443 1.00 0.00 O ATOM 695 CB GLU A 42 -4.575 -9.091 7.853 1.00 0.00 C ATOM 696 CG GLU A 42 -5.266 -10.141 6.997 1.00 0.00 C ATOM 697 CD GLU A 42 -4.894 -11.556 7.395 1.00 0.00 C ATOM 698 OE1 GLU A 42 -4.853 -11.840 8.611 1.00 0.00 O ATOM 699 OE2 GLU A 42 -4.643 -12.380 6.491 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.155 -6.759 7.242 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.509 -8.150 7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.740 -8.669 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.155 -9.572 8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.346 -10.017 7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.004 -9.981 5.951 1.00 0.00 H new ATOM 706 N GLU A 43 -4.645 -7.139 10.414 1.00 0.00 N ATOM 707 CA GLU A 43 -4.581 -7.007 11.866 1.00 0.00 C ATOM 708 C GLU A 43 -5.714 -6.139 12.408 1.00 0.00 C ATOM 709 O GLU A 43 -6.397 -6.521 13.358 1.00 0.00 O ATOM 710 CB GLU A 43 -3.233 -6.416 12.281 1.00 0.00 C ATOM 711 CG GLU A 43 -2.040 -7.197 11.756 1.00 0.00 C ATOM 712 CD GLU A 43 -0.719 -6.652 12.259 1.00 0.00 C ATOM 713 OE1 GLU A 43 -0.618 -5.421 12.447 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 0.216 -7.454 12.466 1.00 0.00 O ATOM 0 H GLU A 43 -3.932 -6.610 9.911 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.691 -8.005 12.291 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.170 -5.388 11.923 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.182 -6.378 13.369 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.135 -8.241 12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.047 -7.174 10.666 1.00 0.00 H new ATOM 721 N LEU A 44 -5.907 -4.970 11.807 1.00 0.00 N ATOM 722 CA LEU A 44 -6.956 -4.057 12.247 1.00 0.00 C ATOM 723 C LEU A 44 -8.336 -4.672 12.040 1.00 0.00 C ATOM 724 O LEU A 44 -8.543 -5.464 11.121 1.00 0.00 O ATOM 725 CB LEU A 44 -6.848 -2.721 11.503 1.00 0.00 C ATOM 726 CG LEU A 44 -7.392 -2.718 10.071 1.00 0.00 C ATOM 727 CD1 LEU A 44 -8.857 -2.312 10.059 1.00 0.00 C ATOM 728 CD2 LEU A 44 -6.572 -1.786 9.192 1.00 0.00 C ATOM 0 H LEU A 44 -5.355 -4.633 11.018 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.823 -3.875 13.313 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.379 -1.962 12.077 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.800 -2.424 11.475 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.312 -3.728 9.669 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.227 -2.315 9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.435 -3.018 10.656 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.961 -1.312 10.479 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.972 -1.796 8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.621 -0.773 9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.535 -2.120 9.176 1.00 0.00 H new ATOM 740 N GLY A 45 -9.278 -4.302 12.902 1.00 0.00 N ATOM 741 CA GLY A 45 -10.627 -4.828 12.799 1.00 0.00 C ATOM 742 C GLY A 45 -11.666 -3.740 12.614 1.00 0.00 C ATOM 743 O GLY A 45 -12.642 -3.922 11.888 1.00 0.00 O ATOM 0 H GLY A 45 -9.131 -3.647 13.670 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.679 -5.521 11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.860 -5.398 13.698 1.00 0.00 H new ATOM 747 N GLY A 46 -11.456 -2.604 13.273 1.00 0.00 N ATOM 748 CA GLY A 46 -12.392 -1.501 13.163 1.00 0.00 C ATOM 749 C GLY A 46 -12.025 -0.334 14.059 1.00 0.00 C ATOM 750 O GLY A 46 -10.909 -0.267 14.576 1.00 0.00 O ATOM 0 H GLY A 46 -10.655 -2.429 13.880 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -12.429 -1.162 12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.392 -1.851 13.419 1.00 0.00 H new ATOM 754 N GLY A 47 -12.965 0.585 14.244 1.00 0.00 N ATOM 755 CA GLY A 47 -12.716 1.743 15.084 1.00 0.00 C ATOM 756 C GLY A 47 -12.137 2.910 14.309 1.00 0.00 C ATOM 757 O GLY A 47 -12.854 3.597 13.581 1.00 0.00 O ATOM 0 H GLY A 47 -13.896 0.550 13.828 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.648 2.052 15.557 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.029 1.466 15.884 1.00 0.00 H new ATOM 761 N GLY A 48 -10.837 3.132 14.463 1.00 0.00 N ATOM 762 CA GLY A 48 -10.182 4.223 13.766 1.00 0.00 C ATOM 763 C GLY A 48 -8.768 3.876 13.350 1.00 0.00 C ATOM 764 O GLY A 48 -7.902 4.749 13.278 1.00 0.00 O ATOM 0 H GLY A 48 -10.224 2.575 15.059 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.763 4.487 12.883 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.163 5.102 14.410 1.00 0.00 H new ATOM 768 N GLU A 49 -8.532 2.597 13.075 1.00 0.00 N ATOM 769 CA GLU A 49 -7.211 2.135 12.663 1.00 0.00 C ATOM 770 C GLU A 49 -7.105 2.066 11.144 1.00 0.00 C ATOM 771 O GLU A 49 -6.021 2.222 10.581 1.00 0.00 O ATOM 772 CB GLU A 49 -6.921 0.760 13.266 1.00 0.00 C ATOM 773 CG GLU A 49 -5.536 0.230 12.928 1.00 0.00 C ATOM 774 CD GLU A 49 -4.626 0.165 14.139 1.00 0.00 C ATOM 775 OE1 GLU A 49 -5.142 -0.016 15.261 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -3.395 0.295 13.964 1.00 0.00 O ATOM 0 H GLU A 49 -9.238 1.863 13.130 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.474 2.851 13.028 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.025 0.818 14.349 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.669 0.051 12.911 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.628 -0.765 12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.082 0.868 12.170 1.00 0.00 H new ATOM 783 N VAL A 50 -8.236 1.831 10.483 1.00 0.00 N ATOM 784 CA VAL A 50 -8.267 1.741 9.027 1.00 0.00 C ATOM 785 C VAL A 50 -7.651 2.977 8.382 1.00 0.00 C ATOM 786 O VAL A 50 -7.087 2.902 7.292 1.00 0.00 O ATOM 787 CB VAL A 50 -9.703 1.563 8.493 1.00 0.00 C ATOM 788 CG1 VAL A 50 -10.114 0.100 8.538 1.00 0.00 C ATOM 789 CG2 VAL A 50 -10.684 2.423 9.277 1.00 0.00 C ATOM 0 H VAL A 50 -9.142 1.700 10.933 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.680 0.862 8.762 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.722 1.892 7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.130 -0.004 8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.433 -0.488 7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.074 -0.258 9.567 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.690 2.280 8.882 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.663 2.134 10.328 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.403 3.472 9.184 1.00 0.00 H new ATOM 799 N LYS A 51 -7.767 4.115 9.058 1.00 0.00 N ATOM 800 CA LYS A 51 -7.221 5.369 8.548 1.00 0.00 C ATOM 801 C LYS A 51 -5.694 5.352 8.560 1.00 0.00 C ATOM 802 O LYS A 51 -5.050 5.962 7.708 1.00 0.00 O ATOM 803 CB LYS A 51 -7.735 6.547 9.379 1.00 0.00 C ATOM 804 CG LYS A 51 -9.173 6.929 9.069 1.00 0.00 C ATOM 805 CD LYS A 51 -10.159 6.007 9.771 1.00 0.00 C ATOM 806 CE LYS A 51 -11.265 6.793 10.459 1.00 0.00 C ATOM 807 NZ LYS A 51 -12.431 7.016 9.561 1.00 0.00 N1+ ATOM 0 H LYS A 51 -8.234 4.196 9.961 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.553 5.484 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.654 6.297 10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.093 7.411 9.206 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.352 7.959 9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.338 6.887 7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.596 5.320 9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.631 5.400 10.506 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.591 6.256 11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.874 7.755 10.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.162 7.555 10.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.126 7.550 8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.821 6.099 9.264 1.00 0.00 H new ATOM 821 N LYS A 52 -5.122 4.655 9.538 1.00 0.00 N ATOM 822 CA LYS A 52 -3.671 4.564 9.670 1.00 0.00 C ATOM 823 C LYS A 52 -3.052 3.785 8.513 1.00 0.00 C ATOM 824 O LYS A 52 -1.937 4.077 8.084 1.00 0.00 O ATOM 825 CB LYS A 52 -3.303 3.899 10.998 1.00 0.00 C ATOM 826 CG LYS A 52 -3.196 4.876 12.159 1.00 0.00 C ATOM 827 CD LYS A 52 -2.461 4.261 13.341 1.00 0.00 C ATOM 828 CE LYS A 52 -3.273 4.372 14.623 1.00 0.00 C ATOM 829 NZ LYS A 52 -4.253 3.260 14.759 1.00 0.00 N1+ ATOM 0 H LYS A 52 -5.642 4.144 10.252 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.272 5.578 9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.052 3.144 11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.352 3.379 10.883 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.673 5.775 11.832 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.194 5.183 12.470 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.249 3.212 13.133 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.501 4.760 13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.600 4.369 15.480 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.802 5.325 14.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.129 3.620 15.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.464 2.867 13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.851 2.515 15.364 1.00 0.00 H new ATOM 843 N VAL A 53 -3.777 2.788 8.020 1.00 0.00 N ATOM 844 CA VAL A 53 -3.298 1.957 6.919 1.00 0.00 C ATOM 845 C VAL A 53 -3.322 2.709 5.592 1.00 0.00 C ATOM 846 O VAL A 53 -2.425 2.550 4.771 1.00 0.00 O ATOM 847 CB VAL A 53 -4.135 0.670 6.782 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.525 -0.260 5.743 1.00 0.00 C ATOM 849 CG2 VAL A 53 -4.263 -0.028 8.128 1.00 0.00 C ATOM 0 H VAL A 53 -4.702 2.534 8.366 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.268 1.693 7.157 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.135 0.943 6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.131 -1.162 5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.494 0.244 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.513 -0.529 6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.857 -0.935 8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.272 -0.288 8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.752 0.638 8.838 1.00 0.00 H new ATOM 859 N GLU A 54 -4.359 3.514 5.381 1.00 0.00 N ATOM 860 CA GLU A 54 -4.497 4.277 4.144 1.00 0.00 C ATOM 861 C GLU A 54 -3.338 5.255 3.963 1.00 0.00 C ATOM 862 O GLU A 54 -2.850 5.454 2.853 1.00 0.00 O ATOM 863 CB GLU A 54 -5.826 5.036 4.135 1.00 0.00 C ATOM 864 CG GLU A 54 -7.039 4.134 3.982 1.00 0.00 C ATOM 865 CD GLU A 54 -8.340 4.847 4.294 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.421 5.496 5.358 1.00 0.00 O ATOM 867 OE2 GLU A 54 -9.278 4.757 3.473 1.00 0.00 O1- ATOM 0 H GLU A 54 -5.116 3.655 6.050 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.480 3.572 3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.918 5.601 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.816 5.760 3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.075 3.750 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.933 3.274 4.643 1.00 0.00 H new ATOM 874 N GLU A 55 -2.903 5.862 5.061 1.00 0.00 N ATOM 875 CA GLU A 55 -1.801 6.818 5.024 1.00 0.00 C ATOM 876 C GLU A 55 -0.481 6.113 4.723 1.00 0.00 C ATOM 877 O GLU A 55 0.385 6.654 4.035 1.00 0.00 O ATOM 878 CB GLU A 55 -1.704 7.570 6.354 1.00 0.00 C ATOM 879 CG GLU A 55 -1.635 9.080 6.194 1.00 0.00 C ATOM 880 CD GLU A 55 -0.211 9.589 6.084 1.00 0.00 C ATOM 881 OE1 GLU A 55 0.570 9.004 5.304 1.00 0.00 O1- ATOM 882 OE2 GLU A 55 0.123 10.572 6.777 1.00 0.00 O ATOM 0 H GLU A 55 -3.297 5.709 5.989 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.999 7.534 4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.568 7.317 6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.819 7.229 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.192 9.373 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.122 9.555 7.046 1.00 0.00 H new ATOM 889 N GLU A 56 -0.336 4.908 5.260 1.00 0.00 N ATOM 890 CA GLU A 56 0.875 4.115 5.075 1.00 0.00 C ATOM 891 C GLU A 56 1.153 3.849 3.597 1.00 0.00 C ATOM 892 O GLU A 56 2.302 3.888 3.155 1.00 0.00 O ATOM 893 CB GLU A 56 0.733 2.788 5.824 1.00 0.00 C ATOM 894 CG GLU A 56 1.207 2.847 7.265 1.00 0.00 C ATOM 895 CD GLU A 56 2.676 2.501 7.411 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.102 1.470 6.848 1.00 0.00 O1- ATOM 897 OE2 GLU A 56 3.400 3.259 8.089 1.00 0.00 O ATOM 0 H GLU A 56 -1.048 4.455 5.832 1.00 0.00 H new ATOM 0 HA GLU A 56 1.717 4.681 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.313 2.482 5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.299 2.020 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.032 3.848 7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.614 2.159 7.867 1.00 0.00 H new ATOM 904 N VAL A 57 0.097 3.577 2.840 1.00 0.00 N ATOM 905 CA VAL A 57 0.222 3.300 1.415 1.00 0.00 C ATOM 906 C VAL A 57 0.555 4.566 0.626 1.00 0.00 C ATOM 907 O VAL A 57 1.282 4.516 -0.363 1.00 0.00 O ATOM 908 CB VAL A 57 -1.048 2.629 0.841 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.201 3.619 0.714 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.741 1.983 -0.502 1.00 0.00 C ATOM 0 H VAL A 57 -0.860 3.542 3.192 1.00 0.00 H new ATOM 0 HA VAL A 57 1.049 2.598 1.306 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.362 1.854 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.075 3.110 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.442 4.025 1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.911 4.431 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.643 1.514 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.393 2.744 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.034 1.227 -0.374 1.00 0.00 H new ATOM 920 N LYS A 58 0.009 5.698 1.066 1.00 0.00 N ATOM 921 CA LYS A 58 0.242 6.974 0.395 1.00 0.00 C ATOM 922 C LYS A 58 1.734 7.257 0.259 1.00 0.00 C ATOM 923 O LYS A 58 2.172 7.862 -0.716 1.00 0.00 O ATOM 924 CB LYS A 58 -0.435 8.109 1.167 1.00 0.00 C ATOM 925 CG LYS A 58 -1.834 8.433 0.669 1.00 0.00 C ATOM 926 CD LYS A 58 -1.799 9.090 -0.700 1.00 0.00 C ATOM 927 CE LYS A 58 -3.066 8.803 -1.489 1.00 0.00 C ATOM 928 NZ LYS A 58 -4.054 9.911 -1.375 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.597 5.757 1.884 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.188 6.913 -0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.487 7.839 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.183 9.004 1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.425 7.518 0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.330 9.095 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.677 10.167 -0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.934 8.729 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.813 8.648 -2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.516 7.877 -1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.904 9.677 -1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.315 10.042 -0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.634 10.789 -1.741 1.00 0.00 H new ATOM 942 N LYS A 59 2.511 6.817 1.240 1.00 0.00 N ATOM 943 CA LYS A 59 3.955 7.017 1.223 1.00 0.00 C ATOM 944 C LYS A 59 4.612 6.192 0.115 1.00 0.00 C ATOM 945 O LYS A 59 5.569 6.634 -0.519 1.00 0.00 O ATOM 946 CB LYS A 59 4.558 6.642 2.578 1.00 0.00 C ATOM 947 CG LYS A 59 3.912 7.361 3.751 1.00 0.00 C ATOM 948 CD LYS A 59 4.410 6.816 5.081 1.00 0.00 C ATOM 949 CE LYS A 59 4.671 7.933 6.078 1.00 0.00 C ATOM 950 NZ LYS A 59 6.117 8.283 6.155 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.165 6.318 2.060 1.00 0.00 H new ATOM 0 HA LYS A 59 4.146 8.072 1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.461 5.566 2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.624 6.868 2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.129 8.427 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.829 7.252 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.673 6.126 5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.326 6.247 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.099 8.816 5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.318 7.630 7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.253 9.049 6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.661 7.448 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.448 8.597 5.221 1.00 0.00 H new ATOM 964 N LEU A 60 4.099 4.982 -0.093 1.00 0.00 N ATOM 965 CA LEU A 60 4.637 4.071 -1.103 1.00 0.00 C ATOM 966 C LEU A 60 4.589 4.670 -2.508 1.00 0.00 C ATOM 967 O LEU A 60 5.560 4.582 -3.258 1.00 0.00 O ATOM 968 CB LEU A 60 3.856 2.754 -1.070 1.00 0.00 C ATOM 969 CG LEU A 60 4.697 1.487 -1.235 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.333 1.444 -2.616 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.762 1.406 -0.153 1.00 0.00 C ATOM 0 H LEU A 60 3.306 4.607 0.428 1.00 0.00 H new ATOM 0 HA LEU A 60 5.685 3.892 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.320 2.693 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.105 2.777 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 60 4.039 0.624 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.927 0.536 -2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.552 1.451 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.976 2.314 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.349 0.498 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.417 2.275 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.285 1.387 0.827 1.00 0.00 H new ATOM 983 N GLU A 61 3.460 5.274 -2.865 1.00 0.00 N ATOM 984 CA GLU A 61 3.307 5.877 -4.187 1.00 0.00 C ATOM 985 C GLU A 61 4.193 7.109 -4.332 1.00 0.00 C ATOM 986 O GLU A 61 4.700 7.396 -5.416 1.00 0.00 O ATOM 987 CB GLU A 61 1.843 6.238 -4.458 1.00 0.00 C ATOM 988 CG GLU A 61 1.217 7.128 -3.397 1.00 0.00 C ATOM 989 CD GLU A 61 1.538 8.597 -3.600 1.00 0.00 C ATOM 990 OE1 GLU A 61 2.149 8.934 -4.636 1.00 0.00 O ATOM 991 OE2 GLU A 61 1.177 9.410 -2.723 1.00 0.00 O1- ATOM 0 H GLU A 61 2.641 5.359 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 61 3.622 5.140 -4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.776 6.740 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.262 5.319 -4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.136 6.992 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.569 6.816 -2.414 1.00 0.00 H new ATOM 998 N GLU A 62 4.380 7.832 -3.232 1.00 0.00 N ATOM 999 CA GLU A 62 5.208 9.034 -3.232 1.00 0.00 C ATOM 1000 C GLU A 62 6.605 8.724 -3.756 1.00 0.00 C ATOM 1001 O GLU A 62 7.179 9.499 -4.522 1.00 0.00 O ATOM 1002 CB GLU A 62 5.298 9.616 -1.821 1.00 0.00 C ATOM 1003 CG GLU A 62 3.980 10.166 -1.303 1.00 0.00 C ATOM 1004 CD GLU A 62 3.782 11.629 -1.648 1.00 0.00 C ATOM 1005 OE1 GLU A 62 3.402 11.922 -2.801 1.00 0.00 O ATOM 1006 OE2 GLU A 62 4.008 12.482 -0.764 1.00 0.00 O1- ATOM 0 H GLU A 62 3.968 7.606 -2.327 1.00 0.00 H new ATOM 0 HA GLU A 62 4.744 9.769 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.651 8.842 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.042 10.412 -1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.159 9.584 -1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.940 10.043 -0.221 1.00 0.00 H new ATOM 1013 N GLU A 63 7.142 7.580 -3.347 1.00 0.00 N ATOM 1014 CA GLU A 63 8.466 7.160 -3.786 1.00 0.00 C ATOM 1015 C GLU A 63 8.462 6.903 -5.286 1.00 0.00 C ATOM 1016 O GLU A 63 9.456 7.136 -5.973 1.00 0.00 O ATOM 1017 CB GLU A 63 8.904 5.897 -3.042 1.00 0.00 C ATOM 1018 CG GLU A 63 8.714 5.977 -1.537 1.00 0.00 C ATOM 1019 CD GLU A 63 9.696 6.925 -0.875 1.00 0.00 C ATOM 1020 OE1 GLU A 63 10.902 6.841 -1.187 1.00 0.00 O ATOM 1021 OE2 GLU A 63 9.258 7.750 -0.048 1.00 0.00 O1- ATOM 0 H GLU A 63 6.681 6.928 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 63 9.173 7.959 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.341 5.046 -3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.955 5.706 -3.257 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.697 6.303 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.829 4.982 -1.107 1.00 0.00 H new ATOM 1028 N ILE A 64 7.327 6.427 -5.785 1.00 0.00 N ATOM 1029 CA ILE A 64 7.179 6.139 -7.207 1.00 0.00 C ATOM 1030 C ILE A 64 7.373 7.401 -8.044 1.00 0.00 C ATOM 1031 O ILE A 64 7.875 7.342 -9.167 1.00 0.00 O ATOM 1032 CB ILE A 64 5.795 5.534 -7.523 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.533 4.313 -6.639 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.702 5.156 -8.995 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.173 3.687 -6.863 1.00 0.00 C ATOM 0 H ILE A 64 6.496 6.232 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 64 7.949 5.411 -7.463 1.00 0.00 H new ATOM 0 HB ILE A 64 5.033 6.284 -7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.304 3.566 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.622 4.606 -5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.719 4.731 -9.200 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.848 6.045 -9.609 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.472 4.421 -9.231 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.055 2.827 -6.204 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.395 4.419 -6.647 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.088 3.363 -7.900 1.00 0.00 H new ATOM 1047 N LYS A 65 6.972 8.541 -7.493 1.00 0.00 N ATOM 1048 CA LYS A 65 7.104 9.815 -8.193 1.00 0.00 C ATOM 1049 C LYS A 65 8.563 10.256 -8.249 1.00 0.00 C ATOM 1050 O LYS A 65 8.982 10.931 -9.188 1.00 0.00 O ATOM 1051 CB LYS A 65 6.259 10.888 -7.505 1.00 0.00 C ATOM 1052 CG LYS A 65 4.768 10.594 -7.522 1.00 0.00 C ATOM 1053 CD LYS A 65 4.206 10.644 -8.933 1.00 0.00 C ATOM 1054 CE LYS A 65 2.777 10.127 -8.982 1.00 0.00 C ATOM 1055 NZ LYS A 65 2.404 9.654 -10.343 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.553 8.610 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 65 6.746 9.680 -9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.589 10.990 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.437 11.846 -7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.585 9.609 -7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.246 11.318 -6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.236 11.669 -9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.833 10.048 -9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.662 9.310 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.094 10.918 -8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.423 9.310 -10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.489 10.440 -11.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.039 8.882 -10.628 1.00 0.00 H new ATOM 1069 N LYS A 66 9.331 9.869 -7.236 1.00 0.00 N ATOM 1070 CA LYS A 66 10.744 10.223 -7.170 1.00 0.00 C ATOM 1071 C LYS A 66 11.550 9.458 -8.215 1.00 0.00 C ATOM 1072 O LYS A 66 12.598 9.921 -8.666 1.00 0.00 O ATOM 1073 CB LYS A 66 11.298 9.935 -5.773 1.00 0.00 C ATOM 1074 CG LYS A 66 10.619 10.732 -4.673 1.00 0.00 C ATOM 1075 CD LYS A 66 11.561 10.991 -3.508 1.00 0.00 C ATOM 1076 CE LYS A 66 10.985 12.012 -2.541 1.00 0.00 C ATOM 1077 NZ LYS A 66 11.325 11.692 -1.127 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.999 9.310 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 66 10.834 11.289 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.189 8.872 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.366 10.154 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.267 11.682 -5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.742 10.191 -4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.754 10.057 -2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.519 11.347 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.365 13.003 -2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.902 12.048 -2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.914 12.412 -0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.941 10.758 -0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.359 11.682 -1.012 1.00 0.00 H new ATOM 1091 N LEU A 67 11.056 8.283 -8.596 1.00 0.00 N ATOM 1092 CA LEU A 67 11.733 7.456 -9.587 1.00 0.00 C ATOM 1093 C LEU A 67 11.114 7.646 -10.970 1.00 0.00 C ATOM 1094 O LEU A 67 11.877 7.686 -11.959 1.00 0.00 O ATOM 1095 CB LEU A 67 11.681 5.980 -9.172 1.00 0.00 C ATOM 1096 CG LEU A 67 10.361 5.258 -9.456 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.297 4.801 -10.907 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.185 4.075 -8.515 1.00 0.00 C ATOM 1099 OXT LEU A 67 9.873 7.752 -11.052 1.00 0.00 O ATOM 0 H LEU A 67 10.190 7.884 -8.233 1.00 0.00 H new ATOM 0 HA LEU A 67 12.776 7.768 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.483 5.449 -9.685 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.888 5.914 -8.104 1.00 0.00 H new ATOM 0 HG LEU A 67 9.545 5.960 -9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.351 4.291 -11.086 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.373 5.667 -11.565 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.122 4.118 -11.110 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.241 3.575 -8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.008 3.374 -8.654 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.180 4.428 -7.484 1.00 0.00 H new TER 1111 LEU A 67