USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 577 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 17 LYS NZ :NH3+ -154:sc= -3.91! (180deg=-5.63!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 144:sc= -1.28 (180deg=-3.27!) USER MOD Single : A 12 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+ 168:sc= -0.374 (180deg=-0.682) 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 131:sc= -10.4! USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= 0.11 (180deg=-0.318) 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+ -157:sc= -0.0444 (180deg=-0.306) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= -0.0277 (180deg=-0.268) 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 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 -17.409 -3.670 6.403 1.00 0.00 N ATOM 11 CA SER A 2 -17.411 -2.473 5.571 1.00 0.00 C ATOM 12 C SER A 2 -16.471 -1.414 6.140 1.00 0.00 C ATOM 13 O SER A 2 -16.913 -0.384 6.650 1.00 0.00 O ATOM 14 CB SER A 2 -18.827 -1.907 5.456 1.00 0.00 C ATOM 15 OG SER A 2 -19.651 -2.750 4.669 1.00 0.00 O ATOM 0 HA SER A 2 -17.058 -2.751 4.578 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.259 -1.796 6.450 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.789 -0.912 5.012 1.00 0.00 H new ATOM 0 HG SER A 2 -20.551 -2.367 4.612 1.00 0.00 H new ATOM 21 N ARG A 3 -15.170 -1.675 6.053 1.00 0.00 N ATOM 22 CA ARG A 3 -14.167 -0.747 6.561 1.00 0.00 C ATOM 23 C ARG A 3 -12.759 -1.280 6.311 1.00 0.00 C ATOM 24 O ARG A 3 -11.993 -0.705 5.538 1.00 0.00 O ATOM 25 CB ARG A 3 -14.379 -0.504 8.060 1.00 0.00 C ATOM 26 CG ARG A 3 -13.280 0.317 8.715 1.00 0.00 C ATOM 27 CD ARG A 3 -13.051 1.631 7.986 1.00 0.00 C ATOM 28 NE ARG A 3 -14.126 2.589 8.234 1.00 0.00 N ATOM 29 CZ ARG A 3 -14.332 3.678 7.496 1.00 0.00 C ATOM 30 NH1 ARG A 3 -13.545 3.948 6.462 1.00 0.00 N1+ ATOM 31 NH2 ARG A 3 -15.331 4.499 7.793 1.00 0.00 N ATOM 0 H ARG A 3 -14.786 -2.523 5.635 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.277 0.198 6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.333 0.004 8.204 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.451 -1.466 8.567 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -13.545 0.518 9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.354 -0.258 8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.101 2.061 8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.973 1.443 6.915 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.755 2.413 9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.776 3.319 6.228 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -13.709 4.784 5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.940 4.296 8.586 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.490 5.334 7.229 1.00 0.00 H new ATOM 45 N VAL A 4 -12.425 -2.383 6.974 1.00 0.00 N ATOM 46 CA VAL A 4 -11.111 -2.996 6.829 1.00 0.00 C ATOM 47 C VAL A 4 -10.957 -3.672 5.471 1.00 0.00 C ATOM 48 O VAL A 4 -9.930 -3.523 4.808 1.00 0.00 O ATOM 49 CB VAL A 4 -10.856 -4.034 7.938 1.00 0.00 C ATOM 50 CG1 VAL A 4 -9.427 -4.551 7.870 1.00 0.00 C ATOM 51 CG2 VAL A 4 -11.151 -3.437 9.305 1.00 0.00 C ATOM 0 H VAL A 4 -13.048 -2.871 7.618 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.379 -2.193 6.911 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.529 -4.877 7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.267 -5.283 8.662 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.256 -5.021 6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.733 -3.720 7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.965 -4.185 10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -10.506 -2.575 9.472 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.194 -3.123 9.348 1.00 0.00 H new ATOM 61 N LYS A 5 -11.978 -4.419 5.060 1.00 0.00 N ATOM 62 CA LYS A 5 -11.942 -5.118 3.779 1.00 0.00 C ATOM 63 C LYS A 5 -11.809 -4.132 2.625 1.00 0.00 C ATOM 64 O LYS A 5 -10.979 -4.313 1.736 1.00 0.00 O ATOM 65 CB LYS A 5 -13.200 -5.972 3.596 1.00 0.00 C ATOM 66 CG LYS A 5 -13.384 -6.493 2.178 1.00 0.00 C ATOM 67 CD LYS A 5 -12.178 -7.297 1.717 1.00 0.00 C ATOM 68 CE LYS A 5 -12.506 -8.776 1.592 1.00 0.00 C ATOM 69 NZ LYS A 5 -12.677 -9.422 2.923 1.00 0.00 N1+ ATOM 0 H LYS A 5 -12.837 -4.556 5.593 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.070 -5.771 3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.157 -6.818 4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.073 -5.381 3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.277 -7.116 2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.544 -5.655 1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.833 -6.918 0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.359 -7.164 2.424 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.419 -8.897 1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.710 -9.279 1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.900 -10.430 2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.797 -9.329 3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.454 -8.959 3.436 1.00 0.00 H new ATOM 83 N ALA A 6 -12.626 -3.085 2.643 1.00 0.00 N ATOM 84 CA ALA A 6 -12.587 -2.074 1.593 1.00 0.00 C ATOM 85 C ALA A 6 -11.190 -1.482 1.484 1.00 0.00 C ATOM 86 O ALA A 6 -10.717 -1.165 0.392 1.00 0.00 O ATOM 87 CB ALA A 6 -13.610 -0.986 1.872 1.00 0.00 C ATOM 0 H ALA A 6 -13.321 -2.914 3.370 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.836 -2.545 0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.570 -0.238 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.607 -1.425 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.387 -0.514 2.829 1.00 0.00 H new ATOM 93 N LEU A 7 -10.533 -1.348 2.628 1.00 0.00 N ATOM 94 CA LEU A 7 -9.181 -0.809 2.689 1.00 0.00 C ATOM 95 C LEU A 7 -8.224 -1.652 1.852 1.00 0.00 C ATOM 96 O LEU A 7 -7.329 -1.128 1.190 1.00 0.00 O ATOM 97 CB LEU A 7 -8.709 -0.783 4.143 1.00 0.00 C ATOM 98 CG LEU A 7 -7.830 0.402 4.527 1.00 0.00 C ATOM 99 CD1 LEU A 7 -6.573 0.438 3.671 1.00 0.00 C ATOM 100 CD2 LEU A 7 -8.604 1.706 4.398 1.00 0.00 C ATOM 0 H LEU A 7 -10.919 -1.608 3.535 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.190 0.204 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.585 -0.788 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.158 -1.702 4.344 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.530 0.282 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.960 1.291 3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.007 -0.482 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.850 0.531 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.960 2.540 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.936 1.832 3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.471 1.681 5.058 1.00 0.00 H new ATOM 112 N GLU A 8 -8.420 -2.964 1.898 1.00 0.00 N ATOM 113 CA GLU A 8 -7.578 -3.899 1.158 1.00 0.00 C ATOM 114 C GLU A 8 -7.765 -3.751 -0.353 1.00 0.00 C ATOM 115 O GLU A 8 -6.836 -3.979 -1.125 1.00 0.00 O ATOM 116 CB GLU A 8 -7.881 -5.340 1.599 1.00 0.00 C ATOM 117 CG GLU A 8 -8.934 -6.051 0.755 1.00 0.00 C ATOM 118 CD GLU A 8 -8.340 -6.744 -0.455 1.00 0.00 C ATOM 119 OE1 GLU A 8 -7.175 -7.187 -0.373 1.00 0.00 O ATOM 120 OE2 GLU A 8 -9.040 -6.845 -1.484 1.00 0.00 O1- ATOM 0 H GLU A 8 -9.159 -3.408 2.443 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.537 -3.667 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.957 -5.918 1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.214 -5.327 2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.453 -6.785 1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.679 -5.327 0.425 1.00 0.00 H new ATOM 127 N GLU A 9 -8.974 -3.387 -0.765 1.00 0.00 N ATOM 128 CA GLU A 9 -9.287 -3.228 -2.184 1.00 0.00 C ATOM 129 C GLU A 9 -8.538 -2.052 -2.811 1.00 0.00 C ATOM 130 O GLU A 9 -8.110 -2.125 -3.961 1.00 0.00 O ATOM 131 CB GLU A 9 -10.794 -3.037 -2.369 1.00 0.00 C ATOM 132 CG GLU A 9 -11.558 -4.342 -2.525 1.00 0.00 C ATOM 133 CD GLU A 9 -12.827 -4.181 -3.338 1.00 0.00 C ATOM 134 OE1 GLU A 9 -12.807 -3.414 -4.324 1.00 0.00 O ATOM 135 OE2 GLU A 9 -13.842 -4.820 -2.989 1.00 0.00 O1- ATOM 0 H GLU A 9 -9.755 -3.196 -0.138 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.962 -4.136 -2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.191 -2.494 -1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.968 -2.416 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.915 -5.080 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.810 -4.731 -1.539 1.00 0.00 H new ATOM 142 N LYS A 10 -8.404 -0.963 -2.060 1.00 0.00 N ATOM 143 CA LYS A 10 -7.729 0.234 -2.556 1.00 0.00 C ATOM 144 C LYS A 10 -6.215 0.041 -2.663 1.00 0.00 C ATOM 145 O LYS A 10 -5.575 0.591 -3.559 1.00 0.00 O ATOM 146 CB LYS A 10 -8.039 1.426 -1.648 1.00 0.00 C ATOM 147 CG LYS A 10 -7.593 1.231 -0.207 1.00 0.00 C ATOM 148 CD LYS A 10 -7.415 2.561 0.507 1.00 0.00 C ATOM 149 CE LYS A 10 -5.947 2.947 0.605 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.374 3.297 -0.724 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.754 -0.884 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.107 0.428 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.554 2.315 -2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.113 1.614 -1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.329 0.628 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.654 0.678 -0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.962 3.338 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.844 2.499 1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.839 3.795 1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.383 2.121 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.688 4.071 -0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.896 2.465 -1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.137 3.599 -1.362 1.00 0.00 H new ATOM 164 N VAL A 11 -5.647 -0.721 -1.737 1.00 0.00 N ATOM 165 CA VAL A 11 -4.206 -0.964 -1.717 1.00 0.00 C ATOM 166 C VAL A 11 -3.736 -1.768 -2.928 1.00 0.00 C ATOM 167 O VAL A 11 -2.685 -1.486 -3.496 1.00 0.00 O ATOM 168 CB VAL A 11 -3.791 -1.710 -0.432 1.00 0.00 C ATOM 169 CG1 VAL A 11 -2.279 -1.887 -0.368 1.00 0.00 C ATOM 170 CG2 VAL A 11 -4.297 -0.973 0.799 1.00 0.00 C ATOM 0 H VAL A 11 -6.162 -1.183 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.730 0.016 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.245 -2.701 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.013 -2.416 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.943 -2.463 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.798 -0.909 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.995 -1.513 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.874 0.032 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.384 -0.908 0.763 1.00 0.00 H new ATOM 180 N LYS A 12 -4.507 -2.782 -3.298 1.00 0.00 N ATOM 181 CA LYS A 12 -4.159 -3.644 -4.425 1.00 0.00 C ATOM 182 C LYS A 12 -4.275 -2.914 -5.751 1.00 0.00 C ATOM 183 O LYS A 12 -3.446 -3.097 -6.643 1.00 0.00 O ATOM 184 CB LYS A 12 -5.036 -4.894 -4.439 1.00 0.00 C ATOM 185 CG LYS A 12 -4.500 -5.996 -5.337 1.00 0.00 C ATOM 186 CD LYS A 12 -4.945 -7.367 -4.858 1.00 0.00 C ATOM 187 CE LYS A 12 -4.886 -8.395 -5.977 1.00 0.00 C ATOM 188 NZ LYS A 12 -4.828 -9.787 -5.450 1.00 0.00 N1+ ATOM 0 H LYS A 12 -5.381 -3.030 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.118 -3.940 -4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.128 -5.276 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.039 -4.622 -4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.846 -5.836 -6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.411 -5.952 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.310 -7.689 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.963 -7.306 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.761 -8.285 -6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.011 -8.205 -6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.789 -10.457 -6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.979 -9.900 -4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.675 -9.977 -4.878 1.00 0.00 H new ATOM 202 N ALA A 13 -5.302 -2.087 -5.884 1.00 0.00 N ATOM 203 CA ALA A 13 -5.504 -1.341 -7.114 1.00 0.00 C ATOM 204 C ALA A 13 -4.267 -0.516 -7.419 1.00 0.00 C ATOM 205 O ALA A 13 -3.863 -0.380 -8.574 1.00 0.00 O ATOM 206 CB ALA A 13 -6.731 -0.447 -6.999 1.00 0.00 C ATOM 0 H ALA A 13 -6.002 -1.918 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.672 -2.041 -7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.868 0.105 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.612 -1.060 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.593 0.256 -6.177 1.00 0.00 H new ATOM 212 N LEU A 14 -3.649 0.003 -6.366 1.00 0.00 N ATOM 213 CA LEU A 14 -2.427 0.785 -6.514 1.00 0.00 C ATOM 214 C LEU A 14 -1.266 -0.118 -6.906 1.00 0.00 C ATOM 215 O LEU A 14 -0.337 0.303 -7.585 1.00 0.00 O ATOM 216 CB LEU A 14 -2.091 1.534 -5.227 1.00 0.00 C ATOM 217 CG LEU A 14 -1.419 2.891 -5.443 1.00 0.00 C ATOM 218 CD1 LEU A 14 -1.787 3.855 -4.329 1.00 0.00 C ATOM 219 CD2 LEU A 14 0.093 2.729 -5.542 1.00 0.00 C ATOM 0 H LEU A 14 -3.971 -0.102 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.593 1.519 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.008 1.683 -4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.436 0.911 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.780 3.307 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.299 4.814 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.868 3.996 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.459 3.448 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.554 3.705 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.473 2.289 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.335 2.077 -6.381 1.00 0.00 H new ATOM 231 N GLU A 15 -1.329 -1.361 -6.447 1.00 0.00 N ATOM 232 CA GLU A 15 -0.292 -2.350 -6.711 1.00 0.00 C ATOM 233 C GLU A 15 -0.018 -2.508 -8.206 1.00 0.00 C ATOM 234 O GLU A 15 1.125 -2.682 -8.623 1.00 0.00 O ATOM 235 CB GLU A 15 -0.716 -3.694 -6.118 1.00 0.00 C ATOM 236 CG GLU A 15 0.447 -4.602 -5.777 1.00 0.00 C ATOM 237 CD GLU A 15 0.263 -5.319 -4.455 1.00 0.00 C ATOM 238 OE1 GLU A 15 -0.879 -5.726 -4.155 1.00 0.00 O ATOM 239 OE2 GLU A 15 1.260 -5.474 -3.718 1.00 0.00 O1- ATOM 0 H GLU A 15 -2.101 -1.712 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 15 0.630 -2.004 -6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.302 -3.515 -5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.369 -4.204 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.572 -5.339 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.364 -4.013 -5.742 1.00 0.00 H new ATOM 246 N GLU A 16 -1.079 -2.464 -9.000 1.00 0.00 N ATOM 247 CA GLU A 16 -0.974 -2.616 -10.449 1.00 0.00 C ATOM 248 C GLU A 16 -0.219 -1.454 -11.080 1.00 0.00 C ATOM 249 O GLU A 16 0.492 -1.630 -12.068 1.00 0.00 O ATOM 250 CB GLU A 16 -2.367 -2.727 -11.071 1.00 0.00 C ATOM 251 CG GLU A 16 -3.119 -3.983 -10.659 1.00 0.00 C ATOM 252 CD GLU A 16 -4.172 -4.390 -11.669 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.812 -3.491 -12.254 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.357 -5.607 -11.877 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.031 -2.323 -8.663 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.414 -3.530 -10.646 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.953 -1.853 -10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.273 -2.709 -12.157 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.410 -4.801 -10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.594 -3.817 -9.692 1.00 0.00 H new ATOM 261 N LYS A 17 -0.380 -0.270 -10.508 1.00 0.00 N ATOM 262 CA LYS A 17 0.286 0.919 -11.017 1.00 0.00 C ATOM 263 C LYS A 17 1.793 0.850 -10.766 1.00 0.00 C ATOM 264 O LYS A 17 2.586 1.406 -11.526 1.00 0.00 O ATOM 265 CB LYS A 17 -0.319 2.188 -10.395 1.00 0.00 C ATOM 266 CG LYS A 17 0.173 2.505 -8.991 1.00 0.00 C ATOM 267 CD LYS A 17 0.782 3.895 -8.914 1.00 0.00 C ATOM 268 CE LYS A 17 2.184 3.922 -9.500 1.00 0.00 C ATOM 269 NZ LYS A 17 2.731 5.306 -9.570 1.00 0.00 N1+ ATOM 0 H LYS A 17 -0.967 -0.107 -9.690 1.00 0.00 H new ATOM 0 HA LYS A 17 0.129 0.962 -12.095 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.096 3.036 -11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.404 2.082 -10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.657 2.431 -8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.914 1.765 -8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.149 4.601 -9.451 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.815 4.222 -7.875 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.843 3.302 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.168 3.487 -10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.439 5.361 -10.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.959 5.975 -9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.177 5.549 -8.663 1.00 0.00 H new ATOM 283 N VAL A 18 2.179 0.173 -9.688 1.00 0.00 N ATOM 284 CA VAL A 18 3.588 0.041 -9.325 1.00 0.00 C ATOM 285 C VAL A 18 4.349 -0.832 -10.320 1.00 0.00 C ATOM 286 O VAL A 18 5.442 -0.478 -10.759 1.00 0.00 O ATOM 287 CB VAL A 18 3.749 -0.555 -7.913 1.00 0.00 C ATOM 288 CG1 VAL A 18 5.209 -0.530 -7.484 1.00 0.00 C ATOM 289 CG2 VAL A 18 2.880 0.194 -6.913 1.00 0.00 C ATOM 0 H VAL A 18 1.535 -0.294 -9.049 1.00 0.00 H new ATOM 0 HA VAL A 18 4.007 1.047 -9.344 1.00 0.00 H new ATOM 0 HB VAL A 18 3.420 -1.594 -7.939 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.302 -0.955 -6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.804 -1.116 -8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.568 0.499 -7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.008 -0.242 -5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.175 1.243 -6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.834 0.118 -7.211 1.00 0.00 H new ATOM 299 N LYS A 19 3.768 -1.971 -10.673 1.00 0.00 N ATOM 300 CA LYS A 19 4.397 -2.891 -11.615 1.00 0.00 C ATOM 301 C LYS A 19 4.402 -2.310 -13.026 1.00 0.00 C ATOM 302 O LYS A 19 5.211 -2.700 -13.867 1.00 0.00 O ATOM 303 CB LYS A 19 3.667 -4.236 -11.608 1.00 0.00 C ATOM 304 CG LYS A 19 2.183 -4.125 -11.917 1.00 0.00 C ATOM 305 CD LYS A 19 1.636 -5.417 -12.504 1.00 0.00 C ATOM 306 CE LYS A 19 0.793 -6.179 -11.491 1.00 0.00 C ATOM 307 NZ LYS A 19 -0.440 -6.742 -12.108 1.00 0.00 N1+ ATOM 0 H LYS A 19 2.862 -2.281 -10.322 1.00 0.00 H new ATOM 0 HA LYS A 19 5.430 -3.042 -11.302 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.133 -4.897 -12.339 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.792 -4.703 -10.631 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.638 -3.879 -11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.017 -3.307 -12.618 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.033 -5.191 -13.384 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.463 -6.045 -12.837 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.385 -6.987 -11.060 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.518 -5.513 -10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.987 -7.253 -11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.017 -5.969 -12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.178 -7.397 -12.872 1.00 0.00 H new ATOM 321 N ALA A 20 3.487 -1.380 -13.277 1.00 0.00 N ATOM 322 CA ALA A 20 3.374 -0.748 -14.585 1.00 0.00 C ATOM 323 C ALA A 20 4.379 0.391 -14.749 1.00 0.00 C ATOM 324 O ALA A 20 4.694 0.791 -15.870 1.00 0.00 O ATOM 325 CB ALA A 20 1.955 -0.241 -14.793 1.00 0.00 C ATOM 0 H ALA A 20 2.811 -1.047 -12.589 1.00 0.00 H new ATOM 0 HA ALA A 20 3.603 -1.497 -15.343 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.877 0.230 -15.773 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.258 -1.077 -14.736 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.712 0.487 -14.019 1.00 0.00 H new ATOM 331 N LEU A 21 4.880 0.915 -13.631 1.00 0.00 N ATOM 332 CA LEU A 21 5.846 2.009 -13.671 1.00 0.00 C ATOM 333 C LEU A 21 7.193 1.530 -14.205 1.00 0.00 C ATOM 334 O LEU A 21 7.938 2.295 -14.817 1.00 0.00 O ATOM 335 CB LEU A 21 6.015 2.627 -12.277 1.00 0.00 C ATOM 336 CG LEU A 21 6.952 1.871 -11.327 1.00 0.00 C ATOM 337 CD1 LEU A 21 8.367 2.424 -11.419 1.00 0.00 C ATOM 338 CD2 LEU A 21 6.439 1.951 -9.895 1.00 0.00 C ATOM 0 H LEU A 21 4.634 0.601 -12.692 1.00 0.00 H new ATOM 0 HA LEU A 21 5.463 2.772 -14.348 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.388 3.645 -12.393 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.033 2.699 -11.809 1.00 0.00 H new ATOM 0 HG LEU A 21 6.973 0.823 -11.627 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.017 1.875 -10.738 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.735 2.314 -12.439 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.364 3.479 -11.146 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.116 1.409 -9.235 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.388 2.995 -9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.445 1.507 -9.839 1.00 0.00 H new ATOM 350 N GLY A 22 7.500 0.258 -13.969 1.00 0.00 N ATOM 351 CA GLY A 22 8.757 -0.299 -14.433 1.00 0.00 C ATOM 352 C GLY A 22 9.023 -1.679 -13.865 1.00 0.00 C ATOM 353 O GLY A 22 8.096 -2.459 -13.651 1.00 0.00 O ATOM 0 H GLY A 22 6.901 -0.396 -13.465 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.747 -0.353 -15.522 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.572 0.369 -14.154 1.00 0.00 H new ATOM 357 N GLY A 23 10.294 -1.981 -13.621 1.00 0.00 N ATOM 358 CA GLY A 23 10.656 -3.276 -13.076 1.00 0.00 C ATOM 359 C GLY A 23 12.145 -3.547 -13.157 1.00 0.00 C ATOM 360 O GLY A 23 12.744 -3.447 -14.228 1.00 0.00 O ATOM 0 H GLY A 23 11.079 -1.352 -13.791 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.337 -3.330 -12.035 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.119 -4.056 -13.615 1.00 0.00 H new ATOM 364 N GLY A 24 12.745 -3.891 -12.022 1.00 0.00 N ATOM 365 CA GLY A 24 14.168 -4.173 -11.989 1.00 0.00 C ATOM 366 C GLY A 24 14.932 -3.213 -11.099 1.00 0.00 C ATOM 367 O GLY A 24 15.525 -2.248 -11.580 1.00 0.00 O ATOM 0 H GLY A 24 12.270 -3.980 -11.124 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.325 -5.192 -11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.569 -4.121 -13.001 1.00 0.00 H new ATOM 371 N GLY A 25 14.918 -3.479 -9.796 1.00 0.00 N ATOM 372 CA GLY A 25 15.620 -2.623 -8.857 1.00 0.00 C ATOM 373 C GLY A 25 14.677 -1.862 -7.947 1.00 0.00 C ATOM 374 O GLY A 25 13.876 -2.461 -7.229 1.00 0.00 O ATOM 0 H GLY A 25 14.433 -4.271 -9.374 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.293 -3.229 -8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.238 -1.914 -9.409 1.00 0.00 H new ATOM 378 N ARG A 26 14.772 -0.536 -7.975 1.00 0.00 N ATOM 379 CA ARG A 26 13.923 0.316 -7.146 1.00 0.00 C ATOM 380 C ARG A 26 12.449 -0.038 -7.327 1.00 0.00 C ATOM 381 O ARG A 26 11.653 0.100 -6.403 1.00 0.00 O ATOM 382 CB ARG A 26 14.157 1.792 -7.495 1.00 0.00 C ATOM 383 CG ARG A 26 13.044 2.723 -7.032 1.00 0.00 C ATOM 384 CD ARG A 26 13.416 4.185 -7.228 1.00 0.00 C ATOM 385 NE ARG A 26 13.281 4.954 -5.992 1.00 0.00 N ATOM 386 CZ ARG A 26 13.363 6.280 -5.932 1.00 0.00 C ATOM 387 NH1 ARG A 26 13.584 6.990 -7.031 1.00 0.00 N1+ ATOM 388 NH2 ARG A 26 13.221 6.900 -4.767 1.00 0.00 N ATOM 0 H ARG A 26 15.430 -0.026 -8.564 1.00 0.00 H new ATOM 0 HA ARG A 26 14.188 0.148 -6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 26 15.097 2.116 -7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.269 1.886 -8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.131 2.502 -7.585 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.831 2.540 -5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.443 4.253 -7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.780 4.621 -7.998 1.00 0.00 H new ATOM 0 HE ARG A 26 13.114 4.444 -5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.692 6.519 -7.929 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.646 8.007 -6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.049 6.359 -3.919 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.284 7.917 -4.720 1.00 0.00 H new ATOM 402 N ILE A 27 12.094 -0.478 -8.527 1.00 0.00 N ATOM 403 CA ILE A 27 10.715 -0.842 -8.841 1.00 0.00 C ATOM 404 C ILE A 27 10.259 -2.092 -8.085 1.00 0.00 C ATOM 405 O ILE A 27 9.144 -2.137 -7.563 1.00 0.00 O ATOM 406 CB ILE A 27 10.526 -1.088 -10.354 1.00 0.00 C ATOM 407 CG1 ILE A 27 11.337 -0.082 -11.181 1.00 0.00 C ATOM 408 CG2 ILE A 27 9.051 -1.013 -10.720 1.00 0.00 C ATOM 409 CD1 ILE A 27 11.184 1.353 -10.723 1.00 0.00 C ATOM 0 H ILE A 27 12.745 -0.593 -9.304 1.00 0.00 H new ATOM 0 HA ILE A 27 10.105 0.004 -8.526 1.00 0.00 H new ATOM 0 HB ILE A 27 10.894 -2.088 -10.585 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.391 -0.357 -11.137 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.032 -0.155 -12.225 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.932 -1.188 -11.789 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.499 -1.771 -10.164 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.664 -0.026 -10.469 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.787 2.003 -11.356 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.137 1.648 -10.793 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.517 1.442 -9.689 1.00 0.00 H new ATOM 421 N GLU A 28 11.110 -3.115 -8.063 1.00 0.00 N ATOM 422 CA GLU A 28 10.778 -4.381 -7.407 1.00 0.00 C ATOM 423 C GLU A 28 10.706 -4.258 -5.886 1.00 0.00 C ATOM 424 O GLU A 28 9.765 -4.747 -5.266 1.00 0.00 O ATOM 425 CB GLU A 28 11.805 -5.450 -7.787 1.00 0.00 C ATOM 426 CG GLU A 28 11.850 -5.748 -9.277 1.00 0.00 C ATOM 427 CD GLU A 28 11.889 -7.234 -9.574 1.00 0.00 C ATOM 428 OE1 GLU A 28 12.983 -7.830 -9.486 1.00 0.00 O1- ATOM 429 OE2 GLU A 28 10.823 -7.802 -9.896 1.00 0.00 O ATOM 0 H GLU A 28 12.035 -3.094 -8.492 1.00 0.00 H new ATOM 0 HA GLU A 28 9.786 -4.669 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.793 -5.126 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.577 -6.369 -7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.977 -5.308 -9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.728 -5.271 -9.713 1.00 0.00 H new ATOM 436 N GLU A 29 11.703 -3.622 -5.287 1.00 0.00 N ATOM 437 CA GLU A 29 11.748 -3.460 -3.835 1.00 0.00 C ATOM 438 C GLU A 29 10.534 -2.696 -3.312 1.00 0.00 C ATOM 439 O GLU A 29 10.010 -2.995 -2.240 1.00 0.00 O ATOM 440 CB GLU A 29 13.030 -2.735 -3.424 1.00 0.00 C ATOM 441 CG GLU A 29 14.282 -3.298 -4.076 1.00 0.00 C ATOM 442 CD GLU A 29 15.555 -2.811 -3.411 1.00 0.00 C ATOM 443 OE1 GLU A 29 15.790 -3.174 -2.240 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 16.316 -2.065 -4.063 1.00 0.00 O ATOM 0 H GLU A 29 12.493 -3.208 -5.782 1.00 0.00 H new ATOM 0 HA GLU A 29 11.734 -4.457 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.939 -1.680 -3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.138 -2.791 -2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.249 -4.387 -4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.296 -3.017 -5.129 1.00 0.00 H new ATOM 451 N LEU A 30 10.114 -1.693 -4.067 1.00 0.00 N ATOM 452 CA LEU A 30 8.988 -0.850 -3.692 1.00 0.00 C ATOM 453 C LEU A 30 7.705 -1.655 -3.483 1.00 0.00 C ATOM 454 O LEU A 30 6.992 -1.452 -2.501 1.00 0.00 O ATOM 455 CB LEU A 30 8.771 0.203 -4.778 1.00 0.00 C ATOM 456 CG LEU A 30 8.521 1.623 -4.274 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.801 2.219 -3.709 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.976 2.494 -5.396 1.00 0.00 C ATOM 0 H LEU A 30 10.543 -1.440 -4.957 1.00 0.00 H new ATOM 0 HA LEU A 30 9.225 -0.374 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.646 0.215 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.923 -0.101 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 30 7.779 1.583 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.606 3.231 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.153 1.605 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.563 2.248 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.803 3.503 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.697 2.529 -6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.037 2.075 -5.758 1.00 0.00 H new ATOM 470 N LYS A 31 7.408 -2.559 -4.411 1.00 0.00 N ATOM 471 CA LYS A 31 6.198 -3.375 -4.315 1.00 0.00 C ATOM 472 C LYS A 31 6.247 -4.326 -3.127 1.00 0.00 C ATOM 473 O LYS A 31 5.218 -4.611 -2.522 1.00 0.00 O ATOM 474 CB LYS A 31 5.914 -4.155 -5.603 1.00 0.00 C ATOM 475 CG LYS A 31 7.148 -4.536 -6.406 1.00 0.00 C ATOM 476 CD LYS A 31 6.772 -5.285 -7.676 1.00 0.00 C ATOM 477 CE LYS A 31 7.849 -6.280 -8.078 1.00 0.00 C ATOM 478 NZ LYS A 31 8.468 -5.928 -9.386 1.00 0.00 N1+ ATOM 0 H LYS A 31 7.982 -2.746 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 31 5.377 -2.674 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.370 -5.064 -5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.257 -3.557 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.708 -3.637 -6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.804 -5.157 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.829 -5.810 -7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.613 -4.573 -8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.620 -6.312 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.417 -7.279 -8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.324 -6.500 -9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.791 -6.118 -10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.721 -4.919 -9.390 1.00 0.00 H new ATOM 492 N LYS A 32 7.435 -4.827 -2.796 1.00 0.00 N ATOM 493 CA LYS A 32 7.571 -5.755 -1.675 1.00 0.00 C ATOM 494 C LYS A 32 7.020 -5.125 -0.403 1.00 0.00 C ATOM 495 O LYS A 32 6.350 -5.788 0.390 1.00 0.00 O ATOM 496 CB LYS A 32 9.038 -6.150 -1.462 1.00 0.00 C ATOM 497 CG LYS A 32 9.811 -6.404 -2.747 1.00 0.00 C ATOM 498 CD LYS A 32 9.085 -7.382 -3.663 1.00 0.00 C ATOM 499 CE LYS A 32 9.758 -8.746 -3.667 1.00 0.00 C ATOM 500 NZ LYS A 32 9.288 -9.592 -4.798 1.00 0.00 N1+ ATOM 0 H LYS A 32 8.306 -4.610 -3.280 1.00 0.00 H new ATOM 0 HA LYS A 32 7.001 -6.654 -1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.537 -5.359 -0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.074 -7.049 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.964 -5.461 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.798 -6.798 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.050 -7.487 -3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.062 -6.984 -4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.838 -8.618 -3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.555 -9.254 -2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.770 -10.513 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.261 -9.736 -4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.505 -9.119 -5.699 1.00 0.00 H new ATOM 514 N LYS A 33 7.284 -3.837 -0.225 1.00 0.00 N ATOM 515 CA LYS A 33 6.790 -3.114 0.938 1.00 0.00 C ATOM 516 C LYS A 33 5.266 -3.087 0.923 1.00 0.00 C ATOM 517 O LYS A 33 4.620 -3.159 1.968 1.00 0.00 O ATOM 518 CB LYS A 33 7.342 -1.686 0.953 1.00 0.00 C ATOM 519 CG LYS A 33 6.849 -0.855 2.128 1.00 0.00 C ATOM 520 CD LYS A 33 7.969 -0.558 3.113 1.00 0.00 C ATOM 521 CE LYS A 33 8.401 -1.811 3.858 1.00 0.00 C ATOM 522 NZ LYS A 33 9.710 -1.626 4.543 1.00 0.00 N1+ ATOM 0 H LYS A 33 7.837 -3.273 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 33 7.128 -3.626 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.431 -1.727 0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.064 -1.188 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.429 0.081 1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.046 -1.386 2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.822 -0.138 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.637 0.195 3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.641 -2.077 4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.472 -2.643 3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.969 -2.503 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.441 -1.398 3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.636 -0.849 5.230 1.00 0.00 H new ATOM 536 N TYR A 34 4.702 -2.987 -0.278 1.00 0.00 N ATOM 537 CA TYR A 34 3.254 -2.953 -0.451 1.00 0.00 C ATOM 538 C TYR A 34 2.597 -4.197 0.147 1.00 0.00 C ATOM 539 O TYR A 34 1.516 -4.115 0.724 1.00 0.00 O ATOM 540 CB TYR A 34 2.892 -2.821 -1.935 1.00 0.00 C ATOM 541 CG TYR A 34 2.070 -1.592 -2.243 1.00 0.00 C ATOM 542 CD1 TYR A 34 0.789 -1.442 -1.724 1.00 0.00 C ATOM 543 CD2 TYR A 34 2.574 -0.582 -3.050 1.00 0.00 C ATOM 544 CE1 TYR A 34 0.039 -0.317 -2.002 1.00 0.00 C ATOM 545 CE2 TYR A 34 1.828 0.546 -3.331 1.00 0.00 C ATOM 546 CZ TYR A 34 0.561 0.672 -2.804 1.00 0.00 C ATOM 547 OH TYR A 34 -0.185 1.794 -3.075 1.00 0.00 O ATOM 0 H TYR A 34 5.229 -2.928 -1.149 1.00 0.00 H new ATOM 0 HA TYR A 34 2.874 -2.081 0.081 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.809 -2.793 -2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.339 -3.707 -2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.375 -2.216 -1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.566 -0.679 -3.465 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.954 -0.213 -1.591 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.235 1.324 -3.960 1.00 0.00 H new ATOM 0 HH TYR A 34 0.358 2.594 -2.915 1.00 0.00 H new ATOM 557 N GLU A 35 3.254 -5.346 0.008 1.00 0.00 N ATOM 558 CA GLU A 35 2.725 -6.597 0.541 1.00 0.00 C ATOM 559 C GLU A 35 2.483 -6.475 2.042 1.00 0.00 C ATOM 560 O GLU A 35 1.448 -6.902 2.553 1.00 0.00 O ATOM 561 CB GLU A 35 3.690 -7.749 0.259 1.00 0.00 C ATOM 562 CG GLU A 35 4.023 -7.915 -1.215 1.00 0.00 C ATOM 563 CD GLU A 35 3.324 -9.107 -1.840 1.00 0.00 C ATOM 564 OE1 GLU A 35 2.286 -9.539 -1.295 1.00 0.00 O ATOM 565 OE2 GLU A 35 3.813 -9.609 -2.873 1.00 0.00 O1- ATOM 0 H GLU A 35 4.152 -5.436 -0.468 1.00 0.00 H new ATOM 0 HA GLU A 35 1.776 -6.806 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.613 -7.584 0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.255 -8.676 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.740 -7.010 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.101 -8.029 -1.330 1.00 0.00 H new ATOM 572 N GLU A 36 3.444 -5.874 2.736 1.00 0.00 N ATOM 573 CA GLU A 36 3.341 -5.673 4.176 1.00 0.00 C ATOM 574 C GLU A 36 2.096 -4.861 4.511 1.00 0.00 C ATOM 575 O GLU A 36 1.433 -5.105 5.517 1.00 0.00 O ATOM 576 CB GLU A 36 4.588 -4.964 4.706 1.00 0.00 C ATOM 577 CG GLU A 36 4.664 -4.922 6.224 1.00 0.00 C ATOM 578 CD GLU A 36 5.908 -5.599 6.768 1.00 0.00 C ATOM 579 OE1 GLU A 36 5.953 -6.846 6.764 1.00 0.00 O1- ATOM 580 OE2 GLU A 36 6.835 -4.881 7.195 1.00 0.00 O ATOM 0 H GLU A 36 4.305 -5.517 2.322 1.00 0.00 H new ATOM 0 HA GLU A 36 3.263 -6.649 4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.474 -5.468 4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.608 -3.944 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.646 -3.884 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.781 -5.405 6.641 1.00 0.00 H new ATOM 587 N LEU A 37 1.794 -3.889 3.657 1.00 0.00 N ATOM 588 CA LEU A 37 0.636 -3.022 3.845 1.00 0.00 C ATOM 589 C LEU A 37 -0.659 -3.832 3.895 1.00 0.00 C ATOM 590 O LEU A 37 -1.565 -3.526 4.670 1.00 0.00 O ATOM 591 CB LEU A 37 0.565 -2.004 2.700 1.00 0.00 C ATOM 592 CG LEU A 37 0.939 -0.568 3.069 1.00 0.00 C ATOM 593 CD1 LEU A 37 0.641 0.372 1.912 1.00 0.00 C ATOM 594 CD2 LEU A 37 0.196 -0.130 4.320 1.00 0.00 C ATOM 0 H LEU A 37 2.340 -3.681 2.821 1.00 0.00 H new ATOM 0 HA LEU A 37 0.749 -2.502 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.225 -2.338 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.449 -2.005 2.299 1.00 0.00 H new ATOM 0 HG LEU A 37 2.009 -0.531 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.913 1.390 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.218 0.069 1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.422 0.332 1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.474 0.894 4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.878 -0.182 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.458 -0.788 5.148 1.00 0.00 H new ATOM 606 N LYS A 38 -0.741 -4.859 3.057 1.00 0.00 N ATOM 607 CA LYS A 38 -1.925 -5.710 2.994 1.00 0.00 C ATOM 608 C LYS A 38 -2.131 -6.480 4.296 1.00 0.00 C ATOM 609 O LYS A 38 -3.258 -6.645 4.755 1.00 0.00 O ATOM 610 CB LYS A 38 -1.809 -6.690 1.825 1.00 0.00 C ATOM 611 CG LYS A 38 -1.525 -6.016 0.493 1.00 0.00 C ATOM 612 CD LYS A 38 -2.808 -5.725 -0.270 1.00 0.00 C ATOM 613 CE LYS A 38 -3.254 -6.927 -1.087 1.00 0.00 C ATOM 614 NZ LYS A 38 -2.232 -7.326 -2.093 1.00 0.00 N1+ ATOM 0 H LYS A 38 0.001 -5.124 2.409 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.790 -5.064 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.014 -7.405 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.735 -7.259 1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.983 -5.086 0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.880 -6.656 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.595 -5.448 0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.655 -4.871 -0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.453 -7.766 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.190 -6.694 -1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.670 -7.942 -2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.850 -6.476 -2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.461 -7.839 -1.620 1.00 0.00 H new ATOM 628 N LYS A 39 -1.035 -6.959 4.875 1.00 0.00 N ATOM 629 CA LYS A 39 -1.087 -7.725 6.116 1.00 0.00 C ATOM 630 C LYS A 39 -1.687 -6.910 7.261 1.00 0.00 C ATOM 631 O LYS A 39 -2.414 -7.446 8.095 1.00 0.00 O ATOM 632 CB LYS A 39 0.314 -8.201 6.500 1.00 0.00 C ATOM 633 CG LYS A 39 0.961 -9.094 5.452 1.00 0.00 C ATOM 634 CD LYS A 39 1.110 -10.524 5.948 1.00 0.00 C ATOM 635 CE LYS A 39 2.476 -10.758 6.571 1.00 0.00 C ATOM 636 NZ LYS A 39 3.526 -10.982 5.538 1.00 0.00 N1+ ATOM 0 H LYS A 39 -0.094 -6.829 4.502 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.732 -8.586 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.951 -7.332 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.259 -8.743 7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.359 -9.085 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.941 -8.696 5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.333 -10.739 6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.964 -11.215 5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.747 -9.899 7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.429 -11.621 7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.443 -11.138 6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.280 -11.817 4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.589 -10.148 4.920 1.00 0.00 H new ATOM 650 N LYS A 40 -1.369 -5.621 7.303 1.00 0.00 N ATOM 651 CA LYS A 40 -1.868 -4.740 8.354 1.00 0.00 C ATOM 652 C LYS A 40 -3.392 -4.680 8.345 1.00 0.00 C ATOM 653 O LYS A 40 -4.028 -4.567 9.394 1.00 0.00 O ATOM 654 CB LYS A 40 -1.289 -3.335 8.180 1.00 0.00 C ATOM 655 CG LYS A 40 -0.939 -2.658 9.495 1.00 0.00 C ATOM 656 CD LYS A 40 0.027 -1.500 9.288 1.00 0.00 C ATOM 657 CE LYS A 40 1.406 -1.816 9.844 1.00 0.00 C ATOM 658 NZ LYS A 40 2.054 -0.615 10.439 1.00 0.00 N1+ ATOM 0 H LYS A 40 -0.767 -5.162 6.620 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.549 -5.145 9.314 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.394 -3.393 7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.009 -2.718 7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.849 -2.293 9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.495 -3.387 10.173 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.105 -1.277 8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.366 -0.607 9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.322 -2.596 10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.036 -2.212 9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.992 -0.873 10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.158 0.120 9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.466 -0.252 11.216 1.00 0.00 H new ATOM 672 N ILE A 41 -3.969 -4.758 7.156 1.00 0.00 N ATOM 673 CA ILE A 41 -5.416 -4.719 6.998 1.00 0.00 C ATOM 674 C ILE A 41 -6.045 -6.009 7.510 1.00 0.00 C ATOM 675 O ILE A 41 -7.141 -6.004 8.070 1.00 0.00 O ATOM 676 CB ILE A 41 -5.810 -4.507 5.524 1.00 0.00 C ATOM 677 CG1 ILE A 41 -5.080 -3.291 4.950 1.00 0.00 C ATOM 678 CG2 ILE A 41 -7.316 -4.334 5.392 1.00 0.00 C ATOM 679 CD1 ILE A 41 -5.079 -3.244 3.439 1.00 0.00 C ATOM 0 H ILE A 41 -3.454 -4.849 6.280 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.788 -3.878 7.584 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.516 -5.390 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.546 -2.383 5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.050 -3.295 5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.575 -4.185 4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.819 -5.225 5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.635 -3.467 5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.544 -2.356 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.586 -4.134 3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.106 -3.208 3.075 1.00 0.00 H new ATOM 691 N GLU A 42 -5.333 -7.111 7.315 1.00 0.00 N ATOM 692 CA GLU A 42 -5.796 -8.419 7.752 1.00 0.00 C ATOM 693 C GLU A 42 -5.976 -8.448 9.266 1.00 0.00 C ATOM 694 O GLU A 42 -6.863 -9.126 9.784 1.00 0.00 O ATOM 695 CB GLU A 42 -4.801 -9.499 7.317 1.00 0.00 C ATOM 696 CG GLU A 42 -5.307 -10.366 6.175 1.00 0.00 C ATOM 697 CD GLU A 42 -4.630 -11.722 6.130 1.00 0.00 C ATOM 698 OE1 GLU A 42 -4.467 -12.342 7.202 1.00 0.00 O ATOM 699 OE2 GLU A 42 -4.263 -12.165 5.021 1.00 0.00 O1- ATOM 0 H GLU A 42 -4.424 -7.123 6.852 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.762 -8.618 7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.869 -9.022 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.571 -10.135 8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.383 -10.504 6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.141 -9.849 5.230 1.00 0.00 H new ATOM 706 N GLU A 43 -5.124 -7.709 9.969 1.00 0.00 N ATOM 707 CA GLU A 43 -5.182 -7.651 11.425 1.00 0.00 C ATOM 708 C GLU A 43 -6.214 -6.629 11.893 1.00 0.00 C ATOM 709 O GLU A 43 -6.774 -6.752 12.983 1.00 0.00 O ATOM 710 CB GLU A 43 -3.805 -7.308 11.997 1.00 0.00 C ATOM 711 CG GLU A 43 -3.338 -5.896 11.676 1.00 0.00 C ATOM 712 CD GLU A 43 -2.387 -5.348 12.722 1.00 0.00 C ATOM 713 OE1 GLU A 43 -1.606 -6.141 13.289 1.00 0.00 O1- ATOM 714 OE2 GLU A 43 -2.423 -4.125 12.973 1.00 0.00 O ATOM 0 H GLU A 43 -4.385 -7.142 9.554 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.485 -8.632 11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.830 -7.434 13.079 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.075 -8.018 11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.845 -5.892 10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.204 -5.239 11.597 1.00 0.00 H new ATOM 721 N LEU A 44 -6.461 -5.623 11.063 1.00 0.00 N ATOM 722 CA LEU A 44 -7.426 -4.578 11.390 1.00 0.00 C ATOM 723 C LEU A 44 -8.790 -5.178 11.723 1.00 0.00 C ATOM 724 O LEU A 44 -9.419 -5.818 10.881 1.00 0.00 O ATOM 725 CB LEU A 44 -7.558 -3.594 10.223 1.00 0.00 C ATOM 726 CG LEU A 44 -7.013 -2.191 10.493 1.00 0.00 C ATOM 727 CD1 LEU A 44 -6.462 -1.580 9.216 1.00 0.00 C ATOM 728 CD2 LEU A 44 -8.099 -1.305 11.085 1.00 0.00 C ATOM 0 H LEU A 44 -6.006 -5.508 10.157 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.062 -4.044 12.268 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.039 -4.008 9.358 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.611 -3.512 9.954 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.200 -2.268 11.215 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.078 -0.582 9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.656 -2.205 8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.256 -1.514 8.472 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.695 -0.310 11.271 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.932 -1.233 10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.449 -1.736 12.023 1.00 0.00 H new ATOM 740 N GLY A 45 -9.238 -4.968 12.957 1.00 0.00 N ATOM 741 CA GLY A 45 -10.522 -5.496 13.379 1.00 0.00 C ATOM 742 C GLY A 45 -11.533 -4.402 13.666 1.00 0.00 C ATOM 743 O GLY A 45 -11.548 -3.834 14.758 1.00 0.00 O ATOM 0 H GLY A 45 -8.735 -4.442 13.672 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.914 -6.154 12.603 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.385 -6.104 14.273 1.00 0.00 H new ATOM 747 N GLY A 46 -12.380 -4.110 12.685 1.00 0.00 N ATOM 748 CA GLY A 46 -13.388 -3.079 12.858 1.00 0.00 C ATOM 749 C GLY A 46 -12.939 -1.733 12.326 1.00 0.00 C ATOM 750 O GLY A 46 -13.100 -1.440 11.142 1.00 0.00 O ATOM 0 H GLY A 46 -12.387 -4.568 11.774 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.303 -3.381 12.348 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.629 -2.985 13.917 1.00 0.00 H new ATOM 754 N GLY A 47 -12.375 -0.909 13.205 1.00 0.00 N ATOM 755 CA GLY A 47 -11.911 0.404 12.799 1.00 0.00 C ATOM 756 C GLY A 47 -10.808 0.933 13.693 1.00 0.00 C ATOM 757 O GLY A 47 -10.241 0.190 14.495 1.00 0.00 O ATOM 0 H GLY A 47 -12.232 -1.128 14.191 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.550 0.356 11.772 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.749 1.101 12.810 1.00 0.00 H new ATOM 761 N GLY A 48 -10.500 2.219 13.554 1.00 0.00 N ATOM 762 CA GLY A 48 -9.459 2.823 14.362 1.00 0.00 C ATOM 763 C GLY A 48 -8.127 2.884 13.641 1.00 0.00 C ATOM 764 O GLY A 48 -7.735 3.935 13.133 1.00 0.00 O ATOM 0 H GLY A 48 -10.954 2.853 12.896 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.762 3.831 14.645 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.343 2.254 15.285 1.00 0.00 H new ATOM 768 N GLU A 49 -7.430 1.752 13.594 1.00 0.00 N ATOM 769 CA GLU A 49 -6.135 1.678 12.928 1.00 0.00 C ATOM 770 C GLU A 49 -6.282 1.790 11.411 1.00 0.00 C ATOM 771 O GLU A 49 -5.296 1.961 10.695 1.00 0.00 O ATOM 772 CB GLU A 49 -5.430 0.368 13.286 1.00 0.00 C ATOM 773 CG GLU A 49 -4.056 0.225 12.654 1.00 0.00 C ATOM 774 CD GLU A 49 -3.240 -0.889 13.281 1.00 0.00 C ATOM 775 OE1 GLU A 49 -3.731 -2.037 13.316 1.00 0.00 O1- ATOM 776 OE2 GLU A 49 -2.111 -0.614 13.738 1.00 0.00 O ATOM 0 H GLU A 49 -7.741 0.874 14.009 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.534 2.519 13.275 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.331 0.303 14.370 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.054 -0.469 12.972 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.169 0.032 11.587 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.515 1.166 12.752 1.00 0.00 H new ATOM 783 N VAL A 50 -7.518 1.691 10.924 1.00 0.00 N ATOM 784 CA VAL A 50 -7.787 1.780 9.493 1.00 0.00 C ATOM 785 C VAL A 50 -7.202 3.057 8.897 1.00 0.00 C ATOM 786 O VAL A 50 -6.772 3.078 7.745 1.00 0.00 O ATOM 787 CB VAL A 50 -9.304 1.734 9.205 1.00 0.00 C ATOM 788 CG1 VAL A 50 -9.975 3.043 9.595 1.00 0.00 C ATOM 789 CG2 VAL A 50 -9.558 1.409 7.740 1.00 0.00 C ATOM 0 H VAL A 50 -8.347 1.549 11.501 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.309 0.919 9.027 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.742 0.943 9.813 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.042 2.983 9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.828 3.224 10.660 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.536 3.861 9.024 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.632 1.381 7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.102 2.175 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.123 0.438 7.502 1.00 0.00 H new ATOM 799 N LYS A 51 -7.197 4.119 9.694 1.00 0.00 N ATOM 800 CA LYS A 51 -6.674 5.408 9.258 1.00 0.00 C ATOM 801 C LYS A 51 -5.157 5.363 9.088 1.00 0.00 C ATOM 802 O LYS A 51 -4.614 5.914 8.131 1.00 0.00 O ATOM 803 CB LYS A 51 -7.054 6.495 10.266 1.00 0.00 C ATOM 804 CG LYS A 51 -8.507 6.932 10.171 1.00 0.00 C ATOM 805 CD LYS A 51 -9.445 5.913 10.804 1.00 0.00 C ATOM 806 CE LYS A 51 -10.398 6.572 11.790 1.00 0.00 C ATOM 807 NZ LYS A 51 -9.675 7.167 12.948 1.00 0.00 N1+ ATOM 0 H LYS A 51 -7.551 4.112 10.650 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.116 5.641 8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.859 6.129 11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.412 7.362 10.112 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.630 7.896 10.665 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.777 7.074 9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.017 5.409 10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.861 5.148 11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.968 7.349 11.280 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.115 5.834 12.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.324 7.251 13.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.875 6.556 13.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.321 8.110 12.689 1.00 0.00 H new ATOM 821 N LYS A 52 -4.482 4.709 10.026 1.00 0.00 N ATOM 822 CA LYS A 52 -3.026 4.596 9.991 1.00 0.00 C ATOM 823 C LYS A 52 -2.552 3.859 8.739 1.00 0.00 C ATOM 824 O LYS A 52 -1.486 4.154 8.202 1.00 0.00 O ATOM 825 CB LYS A 52 -2.522 3.874 11.243 1.00 0.00 C ATOM 826 CG LYS A 52 -1.926 4.806 12.285 1.00 0.00 C ATOM 827 CD LYS A 52 -0.719 4.183 12.966 1.00 0.00 C ATOM 828 CE LYS A 52 0.211 5.244 13.530 1.00 0.00 C ATOM 829 NZ LYS A 52 0.912 5.997 12.455 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.920 4.247 10.823 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.615 5.605 9.965 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.348 3.322 11.691 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.770 3.141 10.951 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.634 5.743 11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.682 5.048 13.032 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.052 3.525 13.769 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.176 3.564 12.252 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.361 5.938 14.145 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.947 4.772 14.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.759 6.455 12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.193 5.341 11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.275 6.722 12.067 1.00 0.00 H new ATOM 843 N VAL A 53 -3.345 2.893 8.291 1.00 0.00 N ATOM 844 CA VAL A 53 -3.004 2.102 7.112 1.00 0.00 C ATOM 845 C VAL A 53 -3.121 2.917 5.827 1.00 0.00 C ATOM 846 O VAL A 53 -2.311 2.767 4.918 1.00 0.00 O ATOM 847 CB VAL A 53 -3.900 0.854 7.000 1.00 0.00 C ATOM 848 CG1 VAL A 53 -3.418 -0.056 5.878 1.00 0.00 C ATOM 849 CG2 VAL A 53 -3.938 0.106 8.323 1.00 0.00 C ATOM 0 H VAL A 53 -4.231 2.637 8.727 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.966 1.793 7.237 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.913 1.178 6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.065 -0.931 5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.448 0.485 4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.395 -0.374 6.081 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.575 -0.773 8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.929 -0.206 8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.337 0.759 9.099 1.00 0.00 H new ATOM 859 N GLU A 54 -4.140 3.767 5.751 1.00 0.00 N ATOM 860 CA GLU A 54 -4.360 4.594 4.567 1.00 0.00 C ATOM 861 C GLU A 54 -3.158 5.494 4.284 1.00 0.00 C ATOM 862 O GLU A 54 -2.729 5.632 3.139 1.00 0.00 O ATOM 863 CB GLU A 54 -5.616 5.449 4.746 1.00 0.00 C ATOM 864 CG GLU A 54 -6.909 4.652 4.689 1.00 0.00 C ATOM 865 CD GLU A 54 -8.139 5.539 4.675 1.00 0.00 C ATOM 866 OE1 GLU A 54 -8.517 6.010 3.582 1.00 0.00 O ATOM 867 OE2 GLU A 54 -8.724 5.761 5.756 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.826 3.902 6.493 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.493 3.927 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.560 5.966 5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.637 6.215 3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.907 4.026 3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.958 3.983 5.548 1.00 0.00 H new ATOM 874 N GLU A 55 -2.626 6.107 5.334 1.00 0.00 N ATOM 875 CA GLU A 55 -1.478 7.001 5.210 1.00 0.00 C ATOM 876 C GLU A 55 -0.225 6.241 4.777 1.00 0.00 C ATOM 877 O GLU A 55 0.603 6.761 4.031 1.00 0.00 O ATOM 878 CB GLU A 55 -1.218 7.714 6.538 1.00 0.00 C ATOM 879 CG GLU A 55 -1.962 9.032 6.679 1.00 0.00 C ATOM 880 CD GLU A 55 -1.616 9.761 7.962 1.00 0.00 C ATOM 881 OE1 GLU A 55 -1.569 9.105 9.024 1.00 0.00 O ATOM 882 OE2 GLU A 55 -1.393 10.989 7.905 1.00 0.00 O1- ATOM 0 H GLU A 55 -2.973 6.001 6.287 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.712 7.739 4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.506 7.055 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.148 7.898 6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.727 9.671 5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.035 8.844 6.650 1.00 0.00 H new ATOM 889 N GLU A 56 -0.086 5.020 5.273 1.00 0.00 N ATOM 890 CA GLU A 56 1.071 4.188 4.968 1.00 0.00 C ATOM 891 C GLU A 56 1.223 3.945 3.467 1.00 0.00 C ATOM 892 O GLU A 56 2.333 3.969 2.938 1.00 0.00 O ATOM 893 CB GLU A 56 0.945 2.848 5.696 1.00 0.00 C ATOM 894 CG GLU A 56 1.545 2.854 7.090 1.00 0.00 C ATOM 895 CD GLU A 56 3.016 2.490 7.096 1.00 0.00 C ATOM 896 OE1 GLU A 56 3.484 1.893 6.103 1.00 0.00 O ATOM 897 OE2 GLU A 56 3.701 2.802 8.091 1.00 0.00 O1- ATOM 0 H GLU A 56 -0.766 4.580 5.893 1.00 0.00 H new ATOM 0 HA GLU A 56 1.960 4.719 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.109 2.579 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.433 2.075 5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.418 3.842 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.999 2.151 7.719 1.00 0.00 H new ATOM 904 N VAL A 57 0.108 3.702 2.787 1.00 0.00 N ATOM 905 CA VAL A 57 0.134 3.442 1.353 1.00 0.00 C ATOM 906 C VAL A 57 0.433 4.709 0.551 1.00 0.00 C ATOM 907 O VAL A 57 1.110 4.654 -0.474 1.00 0.00 O ATOM 908 CB VAL A 57 -1.193 2.814 0.866 1.00 0.00 C ATOM 909 CG1 VAL A 57 -2.243 3.877 0.569 1.00 0.00 C ATOM 910 CG2 VAL A 57 -0.947 1.942 -0.355 1.00 0.00 C ATOM 0 H VAL A 57 -0.822 3.680 3.204 1.00 0.00 H new ATOM 0 HA VAL A 57 0.941 2.729 1.182 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.582 2.190 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.161 3.397 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.446 4.450 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.874 4.545 -0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.889 1.506 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.525 2.549 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.249 1.145 -0.098 1.00 0.00 H new ATOM 920 N LYS A 58 -0.075 5.846 1.019 1.00 0.00 N ATOM 921 CA LYS A 58 0.139 7.118 0.336 1.00 0.00 C ATOM 922 C LYS A 58 1.631 7.395 0.152 1.00 0.00 C ATOM 923 O LYS A 58 2.044 8.000 -0.835 1.00 0.00 O ATOM 924 CB LYS A 58 -0.538 8.264 1.105 1.00 0.00 C ATOM 925 CG LYS A 58 0.302 8.857 2.229 1.00 0.00 C ATOM 926 CD LYS A 58 0.884 10.207 1.838 1.00 0.00 C ATOM 927 CE LYS A 58 -0.064 11.344 2.184 1.00 0.00 C ATOM 928 NZ LYS A 58 0.323 12.024 3.450 1.00 0.00 N1+ ATOM 0 H LYS A 58 -0.637 5.912 1.868 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.315 7.054 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.791 9.057 0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.476 7.899 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.312 8.969 3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.110 8.171 2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.835 10.356 2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.092 10.218 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.073 12.069 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.078 10.956 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.348 12.793 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.307 11.338 4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.281 12.417 3.354 1.00 0.00 H new ATOM 942 N LYS A 59 2.428 6.953 1.116 1.00 0.00 N ATOM 943 CA LYS A 59 3.876 7.147 1.072 1.00 0.00 C ATOM 944 C LYS A 59 4.507 6.320 -0.046 1.00 0.00 C ATOM 945 O LYS A 59 5.445 6.762 -0.707 1.00 0.00 O ATOM 946 CB LYS A 59 4.517 6.766 2.411 1.00 0.00 C ATOM 947 CG LYS A 59 3.603 6.939 3.615 1.00 0.00 C ATOM 948 CD LYS A 59 4.347 6.694 4.915 1.00 0.00 C ATOM 949 CE LYS A 59 4.530 5.208 5.184 1.00 0.00 C ATOM 950 NZ LYS A 59 5.910 4.895 5.649 1.00 0.00 N1+ ATOM 0 H LYS A 59 2.097 6.455 1.942 1.00 0.00 H new ATOM 0 HA LYS A 59 4.058 8.204 0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.841 5.727 2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.411 7.372 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.187 7.947 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.764 6.248 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.322 7.180 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.799 7.149 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.811 4.884 5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.316 4.645 4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.995 3.873 5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.595 5.181 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.105 5.412 6.530 1.00 0.00 H new ATOM 964 N LEU A 60 3.998 5.108 -0.228 1.00 0.00 N ATOM 965 CA LEU A 60 4.516 4.189 -1.243 1.00 0.00 C ATOM 966 C LEU A 60 4.432 4.774 -2.654 1.00 0.00 C ATOM 967 O LEU A 60 5.385 4.679 -3.426 1.00 0.00 O ATOM 968 CB LEU A 60 3.739 2.871 -1.180 1.00 0.00 C ATOM 969 CG LEU A 60 4.577 1.606 -1.369 1.00 0.00 C ATOM 970 CD1 LEU A 60 5.076 1.506 -2.802 1.00 0.00 C ATOM 971 CD2 LEU A 60 5.742 1.582 -0.392 1.00 0.00 C ATOM 0 H LEU A 60 3.221 4.733 0.317 1.00 0.00 H new ATOM 0 HA LEU A 60 5.570 4.017 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.235 2.812 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.963 2.890 -1.945 1.00 0.00 H new ATOM 0 HG LEU A 60 3.944 0.742 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.670 0.600 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.225 1.471 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.691 2.375 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.325 0.674 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.376 2.453 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.361 1.603 0.629 1.00 0.00 H new ATOM 983 N GLU A 61 3.292 5.366 -2.991 1.00 0.00 N ATOM 984 CA GLU A 61 3.101 5.951 -4.316 1.00 0.00 C ATOM 985 C GLU A 61 3.969 7.192 -4.507 1.00 0.00 C ATOM 986 O GLU A 61 4.436 7.469 -5.612 1.00 0.00 O ATOM 987 CB GLU A 61 1.626 6.296 -4.553 1.00 0.00 C ATOM 988 CG GLU A 61 1.017 7.187 -3.482 1.00 0.00 C ATOM 989 CD GLU A 61 1.336 8.656 -3.686 1.00 0.00 C ATOM 990 OE1 GLU A 61 1.942 8.996 -4.724 1.00 0.00 O1- ATOM 991 OE2 GLU A 61 0.977 9.468 -2.806 1.00 0.00 O ATOM 0 H GLU A 61 2.488 5.454 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 61 3.408 5.205 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.530 6.791 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.052 5.371 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.065 7.052 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.382 6.873 -2.504 1.00 0.00 H new ATOM 998 N GLU A 62 4.177 7.937 -3.428 1.00 0.00 N ATOM 999 CA GLU A 62 4.983 9.154 -3.473 1.00 0.00 C ATOM 1000 C GLU A 62 6.366 8.875 -4.051 1.00 0.00 C ATOM 1001 O GLU A 62 6.834 9.589 -4.939 1.00 0.00 O ATOM 1002 CB GLU A 62 5.116 9.754 -2.071 1.00 0.00 C ATOM 1003 CG GLU A 62 3.833 10.383 -1.554 1.00 0.00 C ATOM 1004 CD GLU A 62 3.911 11.896 -1.483 1.00 0.00 C ATOM 1005 OE1 GLU A 62 3.569 12.556 -2.487 1.00 0.00 O ATOM 1006 OE2 GLU A 62 4.316 12.421 -0.424 1.00 0.00 O1- ATOM 0 H GLU A 62 3.797 7.719 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 62 4.477 9.868 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.432 8.973 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.902 10.509 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.005 10.096 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.613 9.988 -0.562 1.00 0.00 H new ATOM 1013 N GLU A 63 7.014 7.833 -3.545 1.00 0.00 N ATOM 1014 CA GLU A 63 8.340 7.456 -4.013 1.00 0.00 C ATOM 1015 C GLU A 63 8.310 7.133 -5.500 1.00 0.00 C ATOM 1016 O GLU A 63 9.278 7.375 -6.220 1.00 0.00 O ATOM 1017 CB GLU A 63 8.862 6.250 -3.228 1.00 0.00 C ATOM 1018 CG GLU A 63 8.674 6.370 -1.724 1.00 0.00 C ATOM 1019 CD GLU A 63 9.212 7.675 -1.170 1.00 0.00 C ATOM 1020 OE1 GLU A 63 8.452 8.666 -1.140 1.00 0.00 O ATOM 1021 OE2 GLU A 63 10.394 7.706 -0.767 1.00 0.00 O1- ATOM 0 H GLU A 63 6.641 7.233 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 63 9.011 8.300 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.353 5.352 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.923 6.119 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.613 6.289 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.175 5.537 -1.232 1.00 0.00 H new ATOM 1028 N ILE A 64 7.187 6.584 -5.953 1.00 0.00 N ATOM 1029 CA ILE A 64 7.027 6.227 -7.358 1.00 0.00 C ATOM 1030 C ILE A 64 7.120 7.460 -8.255 1.00 0.00 C ATOM 1031 O ILE A 64 7.599 7.381 -9.386 1.00 0.00 O ATOM 1032 CB ILE A 64 5.680 5.519 -7.611 1.00 0.00 C ATOM 1033 CG1 ILE A 64 5.520 4.327 -6.666 1.00 0.00 C ATOM 1034 CG2 ILE A 64 5.581 5.067 -9.061 1.00 0.00 C ATOM 1035 CD1 ILE A 64 4.188 3.622 -6.805 1.00 0.00 C ATOM 0 H ILE A 64 6.377 6.377 -5.369 1.00 0.00 H new ATOM 0 HA ILE A 64 7.839 5.542 -7.603 1.00 0.00 H new ATOM 0 HB ILE A 64 4.874 6.226 -7.415 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.322 3.613 -6.855 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.635 4.670 -5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.625 4.569 -9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.655 5.934 -9.718 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.393 4.374 -9.282 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.143 2.787 -6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.381 4.322 -6.587 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.079 3.248 -7.823 1.00 0.00 H new ATOM 1047 N LYS A 65 6.660 8.596 -7.743 1.00 0.00 N ATOM 1048 CA LYS A 65 6.692 9.842 -8.501 1.00 0.00 C ATOM 1049 C LYS A 65 8.114 10.388 -8.600 1.00 0.00 C ATOM 1050 O LYS A 65 8.466 11.058 -9.570 1.00 0.00 O ATOM 1051 CB LYS A 65 5.779 10.883 -7.848 1.00 0.00 C ATOM 1052 CG LYS A 65 4.324 10.451 -7.770 1.00 0.00 C ATOM 1053 CD LYS A 65 3.709 10.303 -9.154 1.00 0.00 C ATOM 1054 CE LYS A 65 2.998 8.968 -9.308 1.00 0.00 C ATOM 1055 NZ LYS A 65 2.895 8.554 -10.735 1.00 0.00 N1+ ATOM 0 H LYS A 65 6.261 8.680 -6.808 1.00 0.00 H new ATOM 0 HA LYS A 65 6.334 9.632 -9.509 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.142 11.092 -6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.843 11.815 -8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.253 9.503 -7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.757 11.183 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.003 11.115 -9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.488 10.391 -9.911 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.535 8.204 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.999 9.037 -8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.404 7.639 -10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.360 9.270 -11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.849 8.463 -11.140 1.00 0.00 H new ATOM 1069 N LYS A 66 8.926 10.097 -7.588 1.00 0.00 N ATOM 1070 CA LYS A 66 10.309 10.561 -7.561 1.00 0.00 C ATOM 1071 C LYS A 66 11.173 9.787 -8.555 1.00 0.00 C ATOM 1072 O LYS A 66 12.198 10.286 -9.017 1.00 0.00 O ATOM 1073 CB LYS A 66 10.888 10.421 -6.152 1.00 0.00 C ATOM 1074 CG LYS A 66 10.242 11.348 -5.134 1.00 0.00 C ATOM 1075 CD LYS A 66 11.261 11.879 -4.139 1.00 0.00 C ATOM 1076 CE LYS A 66 10.592 12.657 -3.018 1.00 0.00 C ATOM 1077 NZ LYS A 66 10.602 14.124 -3.276 1.00 0.00 N1+ ATOM 0 H LYS A 66 8.651 9.543 -6.777 1.00 0.00 H new ATOM 0 HA LYS A 66 10.313 11.612 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.768 9.390 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.959 10.622 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.767 12.182 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.456 10.813 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.828 11.048 -3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.974 12.522 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.563 12.316 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.103 12.450 -2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.136 14.618 -2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.584 14.455 -3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.092 14.324 -4.160 1.00 0.00 H new ATOM 1091 N LEU A 67 10.755 8.566 -8.878 1.00 0.00 N ATOM 1092 CA LEU A 67 11.497 7.731 -9.815 1.00 0.00 C ATOM 1093 C LEU A 67 10.889 7.804 -11.213 1.00 0.00 C ATOM 1094 O LEU A 67 9.727 8.247 -11.329 1.00 0.00 O ATOM 1095 CB LEU A 67 11.526 6.279 -9.324 1.00 0.00 C ATOM 1096 CG LEU A 67 10.249 5.476 -9.579 1.00 0.00 C ATOM 1097 CD1 LEU A 67 10.279 4.845 -10.964 1.00 0.00 C ATOM 1098 CD2 LEU A 67 10.066 4.410 -8.509 1.00 0.00 C ATOM 1099 OXT LEU A 67 11.580 7.420 -12.179 1.00 0.00 O ATOM 0 H LEU A 67 9.909 8.135 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 67 12.519 8.107 -9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.359 5.767 -9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.727 6.279 -8.253 1.00 0.00 H new ATOM 0 HG LEU A 67 9.400 6.158 -9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.362 4.278 -11.126 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.360 5.627 -11.719 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.137 4.177 -11.041 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.153 3.849 -8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.919 3.731 -8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.995 4.885 -7.531 1.00 0.00 H new