USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 1043 hydrogens (1 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.0029) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.487) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -139:sc= -0.516 (180deg=-0.909) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -10:sc= -0.535 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 156:sc= 0.0196 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0734) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -178:sc= 0 (180deg=-0.00592) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ 161:sc= -0.0229 (180deg=-0.614) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 MET CE :methyl -162:sc= -0.143 (180deg=-0.782) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 CYS SG : rot -14:sc= -1.08 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 LYS NZ :NH3+ 157:sc= 0.0297 (180deg=0) USER MOD Single : B 60 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0661) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.534 23.480 -2.430 1.00 44.53 N ATOM 2 CA MET A 1 -15.391 24.345 -2.701 1.00 14.52 C ATOM 3 C MET A 1 -14.094 23.694 -2.230 1.00 1.32 C ATOM 4 O MET A 1 -13.445 24.180 -1.304 1.00 11.50 O ATOM 5 CB MET A 1 -15.574 25.700 -2.016 1.00 1.12 C ATOM 6 CG MET A 1 -14.571 26.749 -2.465 1.00 25.12 C ATOM 7 SD MET A 1 -13.956 27.752 -1.100 1.00 44.31 S ATOM 8 CE MET A 1 -15.449 28.616 -0.614 1.00 34.32 C ATOM 0 H1 MET A 1 -17.405 23.943 -2.759 1.00 44.53 H new ATOM 0 H2 MET A 1 -16.412 22.577 -2.930 1.00 44.53 H new ATOM 0 H3 MET A 1 -16.601 23.303 -1.407 1.00 44.53 H new ATOM 0 HA MET A 1 -15.330 24.498 -3.779 1.00 14.52 H new ATOM 0 HB2 MET A 1 -16.582 26.065 -2.214 1.00 1.12 H new ATOM 0 HB3 MET A 1 -15.490 25.567 -0.937 1.00 1.12 H new ATOM 0 HG2 MET A 1 -13.731 26.257 -2.956 1.00 25.12 H new ATOM 0 HG3 MET A 1 -15.037 27.398 -3.206 1.00 25.12 H new ATOM 0 HE1 MET A 1 -15.222 29.304 0.200 1.00 34.32 H new ATOM 0 HE2 MET A 1 -15.839 29.175 -1.464 1.00 34.32 H new ATOM 0 HE3 MET A 1 -16.195 27.894 -0.282 1.00 34.32 H new ATOM 18 N LYS A 2 -13.722 22.593 -2.873 1.00 52.02 N ATOM 19 CA LYS A 2 -12.503 21.876 -2.522 1.00 24.15 C ATOM 20 C LYS A 2 -12.067 20.955 -3.656 1.00 30.22 C ATOM 21 O LYS A 2 -12.884 20.522 -4.469 1.00 41.51 O ATOM 22 CB LYS A 2 -12.715 21.063 -1.244 1.00 2.44 C ATOM 23 CG LYS A 2 -13.700 19.918 -1.407 1.00 50.41 C ATOM 24 CD LYS A 2 -14.852 20.028 -0.423 1.00 45.42 C ATOM 25 CE LYS A 2 -16.143 19.476 -1.010 1.00 1.23 C ATOM 26 NZ LYS A 2 -16.088 17.997 -1.174 1.00 73.22 N ATOM 0 H LYS A 2 -14.249 22.177 -3.641 1.00 52.02 H new ATOM 0 HA LYS A 2 -11.716 22.611 -2.352 1.00 24.15 H new ATOM 0 HB2 LYS A 2 -11.756 20.662 -0.915 1.00 2.44 H new ATOM 0 HB3 LYS A 2 -13.070 21.727 -0.456 1.00 2.44 H new ATOM 0 HG2 LYS A 2 -14.089 19.914 -2.425 1.00 50.41 H new ATOM 0 HG3 LYS A 2 -13.184 18.969 -1.260 1.00 50.41 H new ATOM 0 HD2 LYS A 2 -14.605 19.485 0.490 1.00 45.42 H new ATOM 0 HD3 LYS A 2 -14.995 21.072 -0.144 1.00 45.42 H new ATOM 0 HE2 LYS A 2 -16.979 19.739 -0.362 1.00 1.23 H new ATOM 0 HE3 LYS A 2 -16.331 19.942 -1.977 1.00 1.23 H new ATOM 0 HZ1 LYS A 2 -17.052 17.625 -1.296 1.00 73.22 H new ATOM 0 HZ2 LYS A 2 -15.517 17.762 -2.011 1.00 73.22 H new ATOM 0 HZ3 LYS A 2 -15.657 17.570 -0.330 1.00 73.22 H new ATOM 40 N LYS A 3 -10.772 20.655 -3.706 1.00 43.35 N ATOM 41 CA LYS A 3 -10.228 19.783 -4.739 1.00 22.03 C ATOM 42 C LYS A 3 -8.755 19.482 -4.475 1.00 14.11 C ATOM 43 O LYS A 3 -8.298 18.354 -4.667 1.00 73.32 O ATOM 44 CB LYS A 3 -10.388 20.429 -6.117 1.00 32.42 C ATOM 45 CG LYS A 3 -11.446 19.764 -6.981 1.00 71.04 C ATOM 46 CD LYS A 3 -12.078 20.753 -7.946 1.00 53.42 C ATOM 47 CE LYS A 3 -11.234 20.927 -9.199 1.00 24.22 C ATOM 48 NZ LYS A 3 -11.845 21.896 -10.150 1.00 54.34 N ATOM 0 H LYS A 3 -10.081 21.004 -3.042 1.00 43.35 H new ATOM 0 HA LYS A 3 -10.783 18.845 -4.718 1.00 22.03 H new ATOM 0 HB2 LYS A 3 -10.644 21.481 -5.989 1.00 32.42 H new ATOM 0 HB3 LYS A 3 -9.431 20.395 -6.638 1.00 32.42 H new ATOM 0 HG2 LYS A 3 -10.997 18.944 -7.541 1.00 71.04 H new ATOM 0 HG3 LYS A 3 -12.218 19.331 -6.345 1.00 71.04 H new ATOM 0 HD2 LYS A 3 -13.074 20.407 -8.222 1.00 53.42 H new ATOM 0 HD3 LYS A 3 -12.201 21.717 -7.452 1.00 53.42 H new ATOM 0 HE2 LYS A 3 -10.238 21.271 -8.921 1.00 24.22 H new ATOM 0 HE3 LYS A 3 -11.112 19.962 -9.692 1.00 24.22 H new ATOM 0 HZ1 LYS A 3 -11.239 21.986 -10.991 1.00 54.34 H new ATOM 0 HZ2 LYS A 3 -12.785 21.556 -10.436 1.00 54.34 H new ATOM 0 HZ3 LYS A 3 -11.938 22.824 -9.689 1.00 54.34 H new ATOM 62 N LEU A 4 -8.019 20.495 -4.034 1.00 4.32 N ATOM 63 CA LEU A 4 -6.598 20.337 -3.741 1.00 22.12 C ATOM 64 C LEU A 4 -6.382 19.332 -2.614 1.00 53.14 C ATOM 65 O LEU A 4 -5.532 18.447 -2.713 1.00 32.44 O ATOM 66 CB LEU A 4 -5.983 21.685 -3.362 1.00 42.13 C ATOM 67 CG LEU A 4 -5.388 22.499 -4.512 1.00 74.01 C ATOM 68 CD1 LEU A 4 -4.212 21.763 -5.134 1.00 32.34 C ATOM 69 CD2 LEU A 4 -6.449 22.794 -5.562 1.00 0.43 C ATOM 0 H LEU A 4 -8.381 21.434 -3.871 1.00 4.32 H new ATOM 0 HA LEU A 4 -6.107 19.959 -4.638 1.00 22.12 H new ATOM 0 HB2 LEU A 4 -6.750 22.288 -2.876 1.00 42.13 H new ATOM 0 HB3 LEU A 4 -5.200 21.510 -2.624 1.00 42.13 H new ATOM 0 HG LEU A 4 -5.028 23.447 -4.112 1.00 74.01 H new ATOM 0 HD11 LEU A 4 -3.802 22.357 -5.950 1.00 32.34 H new ATOM 0 HD12 LEU A 4 -3.442 21.603 -4.379 1.00 32.34 H new ATOM 0 HD13 LEU A 4 -4.548 20.800 -5.519 1.00 32.34 H new ATOM 0 HD21 LEU A 4 -6.007 23.374 -6.372 1.00 0.43 H new ATOM 0 HD22 LEU A 4 -6.840 21.857 -5.958 1.00 0.43 H new ATOM 0 HD23 LEU A 4 -7.261 23.363 -5.109 1.00 0.43 H new ATOM 81 N ARG A 5 -7.159 19.474 -1.545 1.00 32.35 N ATOM 82 CA ARG A 5 -7.053 18.577 -0.400 1.00 33.03 C ATOM 83 C ARG A 5 -7.597 17.193 -0.742 1.00 4.13 C ATOM 84 O ARG A 5 -7.001 16.177 -0.385 1.00 33.44 O ATOM 85 CB ARG A 5 -7.810 19.153 0.798 1.00 62.13 C ATOM 86 CG ARG A 5 -9.268 19.464 0.504 1.00 54.14 C ATOM 87 CD ARG A 5 -9.714 20.747 1.189 1.00 63.31 C ATOM 88 NE ARG A 5 -9.614 21.904 0.302 1.00 4.30 N ATOM 89 CZ ARG A 5 -9.635 23.161 0.730 1.00 21.51 C ATOM 90 NH1 ARG A 5 -9.749 23.422 2.024 1.00 44.43 N ATOM 91 NH2 ARG A 5 -9.540 24.160 -0.139 1.00 12.41 N ATOM 0 H ARG A 5 -7.868 20.201 -1.448 1.00 32.35 H new ATOM 0 HA ARG A 5 -5.998 18.480 -0.142 1.00 33.03 H new ATOM 0 HB2 ARG A 5 -7.758 18.445 1.625 1.00 62.13 H new ATOM 0 HB3 ARG A 5 -7.312 20.065 1.128 1.00 62.13 H new ATOM 0 HG2 ARG A 5 -9.411 19.556 -0.573 1.00 54.14 H new ATOM 0 HG3 ARG A 5 -9.892 18.636 0.839 1.00 54.14 H new ATOM 0 HD2 ARG A 5 -10.744 20.638 1.528 1.00 63.31 H new ATOM 0 HD3 ARG A 5 -9.103 20.916 2.076 1.00 63.31 H new ATOM 0 HE ARG A 5 -9.523 21.737 -0.700 1.00 4.30 H new ATOM 0 HH11 ARG A 5 -9.821 22.657 2.694 1.00 44.43 H new ATOM 0 HH12 ARG A 5 -9.765 24.388 2.350 1.00 44.43 H new ATOM 0 HH21 ARG A 5 -9.451 23.962 -1.136 1.00 12.41 H new ATOM 0 HH22 ARG A 5 -9.556 25.125 0.190 1.00 12.41 H new ATOM 105 N GLU A 6 -8.733 17.162 -1.432 1.00 64.21 N ATOM 106 CA GLU A 6 -9.357 15.903 -1.819 1.00 64.10 C ATOM 107 C GLU A 6 -8.372 15.018 -2.577 1.00 61.00 C ATOM 108 O GLU A 6 -8.459 13.791 -2.526 1.00 72.23 O ATOM 109 CB GLU A 6 -10.593 16.166 -2.682 1.00 30.33 C ATOM 110 CG GLU A 6 -11.476 14.942 -2.868 1.00 24.40 C ATOM 111 CD GLU A 6 -11.765 14.649 -4.328 1.00 40.13 C ATOM 112 OE1 GLU A 6 -12.890 14.950 -4.781 1.00 2.31 O ATOM 113 OE2 GLU A 6 -10.869 14.120 -5.016 1.00 23.31 O ATOM 0 H GLU A 6 -9.239 17.994 -1.734 1.00 64.21 H new ATOM 0 HA GLU A 6 -9.661 15.383 -0.911 1.00 64.10 H new ATOM 0 HB2 GLU A 6 -11.181 16.962 -2.226 1.00 30.33 H new ATOM 0 HB3 GLU A 6 -10.273 16.525 -3.660 1.00 30.33 H new ATOM 0 HG2 GLU A 6 -10.991 14.077 -2.416 1.00 24.40 H new ATOM 0 HG3 GLU A 6 -12.417 15.093 -2.338 1.00 24.40 H new ATOM 121 N GLU A 7 -7.436 15.650 -3.279 1.00 51.35 N ATOM 122 CA GLU A 7 -6.437 14.920 -4.049 1.00 21.21 C ATOM 123 C GLU A 7 -5.538 14.097 -3.131 1.00 30.31 C ATOM 124 O GLU A 7 -5.393 12.888 -3.307 1.00 40.10 O ATOM 125 CB GLU A 7 -5.590 15.889 -4.875 1.00 34.42 C ATOM 126 CG GLU A 7 -6.357 16.560 -6.002 1.00 44.15 C ATOM 127 CD GLU A 7 -6.077 15.935 -7.354 1.00 43.22 C ATOM 128 OE1 GLU A 7 -4.992 16.197 -7.914 1.00 74.52 O ATOM 129 OE2 GLU A 7 -6.941 15.183 -7.851 1.00 51.02 O ATOM 0 H GLU A 7 -7.349 16.665 -3.330 1.00 51.35 H new ATOM 0 HA GLU A 7 -6.959 14.240 -4.722 1.00 21.21 H new ATOM 0 HB2 GLU A 7 -5.184 16.656 -4.216 1.00 34.42 H new ATOM 0 HB3 GLU A 7 -4.742 15.349 -5.295 1.00 34.42 H new ATOM 0 HG2 GLU A 7 -7.425 16.502 -5.794 1.00 44.15 H new ATOM 0 HG3 GLU A 7 -6.096 17.618 -6.034 1.00 44.15 H new ATOM 137 N ALA A 8 -4.935 14.763 -2.151 1.00 11.25 N ATOM 138 CA ALA A 8 -4.052 14.094 -1.204 1.00 42.11 C ATOM 139 C ALA A 8 -4.759 12.928 -0.522 1.00 30.25 C ATOM 140 O ALA A 8 -4.121 11.966 -0.095 1.00 71.43 O ATOM 141 CB ALA A 8 -3.543 15.084 -0.167 1.00 43.32 C ATOM 0 H ALA A 8 -5.042 15.765 -1.993 1.00 11.25 H new ATOM 0 HA ALA A 8 -3.202 13.695 -1.758 1.00 42.11 H new ATOM 0 HB1 ALA A 8 -2.885 14.571 0.534 1.00 43.32 H new ATOM 0 HB2 ALA A 8 -2.992 15.881 -0.665 1.00 43.32 H new ATOM 0 HB3 ALA A 8 -4.388 15.510 0.374 1.00 43.32 H new ATOM 147 N ALA A 9 -6.081 13.020 -0.423 1.00 13.35 N ATOM 148 CA ALA A 9 -6.875 11.971 0.205 1.00 43.42 C ATOM 149 C ALA A 9 -6.976 10.745 -0.695 1.00 42.44 C ATOM 150 O ALA A 9 -6.899 9.609 -0.226 1.00 50.32 O ATOM 151 CB ALA A 9 -8.262 12.494 0.548 1.00 3.54 C ATOM 0 H ALA A 9 -6.625 13.810 -0.770 1.00 13.35 H new ATOM 0 HA ALA A 9 -6.374 11.671 1.125 1.00 43.42 H new ATOM 0 HB1 ALA A 9 -8.844 11.701 1.016 1.00 3.54 H new ATOM 0 HB2 ALA A 9 -8.174 13.334 1.237 1.00 3.54 H new ATOM 0 HB3 ALA A 9 -8.763 12.822 -0.363 1.00 3.54 H new ATOM 157 N LYS A 10 -7.152 10.981 -1.991 1.00 42.10 N ATOM 158 CA LYS A 10 -7.264 9.896 -2.958 1.00 52.31 C ATOM 159 C LYS A 10 -6.023 9.011 -2.929 1.00 23.44 C ATOM 160 O LYS A 10 -6.101 7.805 -3.169 1.00 74.02 O ATOM 161 CB LYS A 10 -7.468 10.460 -4.366 1.00 74.03 C ATOM 162 CG LYS A 10 -8.549 11.524 -4.444 1.00 43.21 C ATOM 163 CD LYS A 10 -9.482 11.288 -5.621 1.00 24.43 C ATOM 164 CE LYS A 10 -8.983 11.987 -6.876 1.00 62.03 C ATOM 165 NZ LYS A 10 -9.480 11.327 -8.114 1.00 1.41 N ATOM 0 H LYS A 10 -7.220 11.915 -2.396 1.00 42.10 H new ATOM 0 HA LYS A 10 -8.128 9.289 -2.687 1.00 52.31 H new ATOM 0 HB2 LYS A 10 -6.527 10.883 -4.719 1.00 74.03 H new ATOM 0 HB3 LYS A 10 -7.724 9.644 -5.042 1.00 74.03 H new ATOM 0 HG2 LYS A 10 -9.124 11.528 -3.518 1.00 43.21 H new ATOM 0 HG3 LYS A 10 -8.087 12.507 -4.536 1.00 43.21 H new ATOM 0 HD2 LYS A 10 -9.569 10.218 -5.809 1.00 24.43 H new ATOM 0 HD3 LYS A 10 -10.480 11.650 -5.374 1.00 24.43 H new ATOM 0 HE2 LYS A 10 -9.306 13.028 -6.865 1.00 62.03 H new ATOM 0 HE3 LYS A 10 -7.893 11.992 -6.880 1.00 62.03 H new ATOM 0 HZ1 LYS A 10 -9.118 11.834 -8.947 1.00 1.41 H new ATOM 0 HZ2 LYS A 10 -9.150 10.341 -8.138 1.00 1.41 H new ATOM 0 HZ3 LYS A 10 -10.520 11.345 -8.123 1.00 1.41 H new ATOM 179 N LEU A 11 -4.877 9.615 -2.632 1.00 51.12 N ATOM 180 CA LEU A 11 -3.618 8.881 -2.570 1.00 14.45 C ATOM 181 C LEU A 11 -3.747 7.656 -1.670 1.00 21.54 C ATOM 182 O LEU A 11 -3.278 6.570 -2.011 1.00 31.41 O ATOM 183 CB LEU A 11 -2.500 9.790 -2.058 1.00 64.10 C ATOM 184 CG LEU A 11 -2.268 11.079 -2.847 1.00 33.53 C ATOM 185 CD1 LEU A 11 -1.054 11.821 -2.311 1.00 65.35 C ATOM 186 CD2 LEU A 11 -2.098 10.774 -4.328 1.00 32.15 C ATOM 0 H LEU A 11 -4.794 10.611 -2.430 1.00 51.12 H new ATOM 0 HA LEU A 11 -3.371 8.545 -3.577 1.00 14.45 H new ATOM 0 HB2 LEU A 11 -2.720 10.055 -1.024 1.00 64.10 H new ATOM 0 HB3 LEU A 11 -1.571 9.220 -2.050 1.00 64.10 H new ATOM 0 HG LEU A 11 -3.142 11.719 -2.726 1.00 33.53 H new ATOM 0 HD11 LEU A 11 -0.904 12.736 -2.885 1.00 65.35 H new ATOM 0 HD12 LEU A 11 -1.215 12.072 -1.263 1.00 65.35 H new ATOM 0 HD13 LEU A 11 -0.171 11.188 -2.401 1.00 65.35 H new ATOM 0 HD21 LEU A 11 -1.934 11.703 -4.874 1.00 32.15 H new ATOM 0 HD22 LEU A 11 -1.241 10.115 -4.468 1.00 32.15 H new ATOM 0 HD23 LEU A 11 -2.997 10.286 -4.704 1.00 32.15 H new ATOM 198 N PHE A 12 -4.385 7.839 -0.519 1.00 33.24 N ATOM 199 CA PHE A 12 -4.576 6.748 0.431 1.00 34.31 C ATOM 200 C PHE A 12 -5.646 5.779 -0.062 1.00 75.14 C ATOM 201 O PHE A 12 -5.625 4.594 0.268 1.00 23.13 O ATOM 202 CB PHE A 12 -4.966 7.300 1.803 1.00 71.24 C ATOM 203 CG PHE A 12 -3.932 8.216 2.397 1.00 34.11 C ATOM 204 CD1 PHE A 12 -2.581 7.958 2.228 1.00 41.20 C ATOM 205 CD2 PHE A 12 -4.312 9.333 3.123 1.00 74.40 C ATOM 206 CE1 PHE A 12 -1.629 8.798 2.773 1.00 22.55 C ATOM 207 CE2 PHE A 12 -3.363 10.176 3.669 1.00 40.11 C ATOM 208 CZ PHE A 12 -2.020 9.908 3.495 1.00 13.34 C ATOM 0 H PHE A 12 -4.779 8.732 -0.221 1.00 33.24 H new ATOM 0 HA PHE A 12 -3.634 6.208 0.519 1.00 34.31 H new ATOM 0 HB2 PHE A 12 -5.909 7.839 1.714 1.00 71.24 H new ATOM 0 HB3 PHE A 12 -5.137 6.468 2.485 1.00 71.24 H new ATOM 0 HD1 PHE A 12 -2.269 7.091 1.664 1.00 41.20 H new ATOM 0 HD2 PHE A 12 -5.361 9.547 3.264 1.00 74.40 H new ATOM 0 HE1 PHE A 12 -0.579 8.586 2.634 1.00 22.55 H new ATOM 0 HE2 PHE A 12 -3.672 11.044 4.232 1.00 40.11 H new ATOM 0 HZ PHE A 12 -1.277 10.565 3.923 1.00 13.34 H new ATOM 218 N GLU A 13 -6.582 6.293 -0.855 1.00 13.02 N ATOM 219 CA GLU A 13 -7.661 5.473 -1.392 1.00 54.40 C ATOM 220 C GLU A 13 -7.108 4.248 -2.113 1.00 21.32 C ATOM 221 O GLU A 13 -7.763 3.210 -2.187 1.00 75.04 O ATOM 222 CB GLU A 13 -8.527 6.294 -2.351 1.00 65.33 C ATOM 223 CG GLU A 13 -10.018 6.064 -2.174 1.00 31.41 C ATOM 224 CD GLU A 13 -10.839 6.677 -3.292 1.00 1.33 C ATOM 225 OE1 GLU A 13 -11.841 7.358 -2.987 1.00 2.54 O ATOM 226 OE2 GLU A 13 -10.482 6.476 -4.471 1.00 44.01 O ATOM 0 H GLU A 13 -6.614 7.272 -1.139 1.00 13.02 H new ATOM 0 HA GLU A 13 -8.275 5.135 -0.557 1.00 54.40 H new ATOM 0 HB2 GLU A 13 -8.312 7.353 -2.206 1.00 65.33 H new ATOM 0 HB3 GLU A 13 -8.250 6.050 -3.377 1.00 65.33 H new ATOM 0 HG2 GLU A 13 -10.214 4.993 -2.130 1.00 31.41 H new ATOM 0 HG3 GLU A 13 -10.336 6.486 -1.221 1.00 31.41 H new ATOM 234 N GLU A 14 -5.895 4.378 -2.643 1.00 1.33 N ATOM 235 CA GLU A 14 -5.253 3.282 -3.358 1.00 31.55 C ATOM 236 C GLU A 14 -4.749 2.219 -2.386 1.00 35.12 C ATOM 237 O GLU A 14 -4.782 1.024 -2.685 1.00 22.42 O ATOM 238 CB GLU A 14 -4.092 3.806 -4.205 1.00 65.24 C ATOM 239 CG GLU A 14 -4.478 4.952 -5.125 1.00 73.34 C ATOM 240 CD GLU A 14 -3.611 5.019 -6.368 1.00 51.34 C ATOM 241 OE1 GLU A 14 -3.993 4.411 -7.390 1.00 22.51 O ATOM 242 OE2 GLU A 14 -2.553 5.680 -6.318 1.00 34.21 O ATOM 0 H GLU A 14 -5.338 5.231 -2.590 1.00 1.33 H new ATOM 0 HA GLU A 14 -5.995 2.827 -4.014 1.00 31.55 H new ATOM 0 HB2 GLU A 14 -3.291 4.136 -3.544 1.00 65.24 H new ATOM 0 HB3 GLU A 14 -3.693 2.988 -4.805 1.00 65.24 H new ATOM 0 HG2 GLU A 14 -5.521 4.841 -5.420 1.00 73.34 H new ATOM 0 HG3 GLU A 14 -4.399 5.893 -4.580 1.00 73.34 H new ATOM 250 N TRP A 15 -4.283 2.661 -1.224 1.00 51.04 N ATOM 251 CA TRP A 15 -3.771 1.749 -0.209 1.00 12.05 C ATOM 252 C TRP A 15 -4.846 0.757 0.222 1.00 4.25 C ATOM 253 O TRP A 15 -4.606 -0.450 0.277 1.00 45.40 O ATOM 254 CB TRP A 15 -3.267 2.533 1.004 1.00 14.02 C ATOM 255 CG TRP A 15 -2.196 1.817 1.770 1.00 62.35 C ATOM 256 CD1 TRP A 15 -1.969 0.472 1.800 1.00 32.24 C ATOM 257 CD2 TRP A 15 -1.207 2.412 2.618 1.00 24.34 C ATOM 258 NE1 TRP A 15 -0.899 0.193 2.616 1.00 32.20 N ATOM 259 CE2 TRP A 15 -0.413 1.367 3.129 1.00 35.52 C ATOM 260 CE3 TRP A 15 -0.912 3.725 2.993 1.00 40.24 C ATOM 261 CZ2 TRP A 15 0.652 1.596 3.995 1.00 24.25 C ATOM 262 CZ3 TRP A 15 0.145 3.952 3.854 1.00 13.22 C ATOM 263 CH2 TRP A 15 0.917 2.892 4.346 1.00 32.15 C ATOM 0 H TRP A 15 -4.249 3.646 -0.961 1.00 51.04 H new ATOM 0 HA TRP A 15 -2.941 1.192 -0.642 1.00 12.05 H new ATOM 0 HB2 TRP A 15 -2.883 3.497 0.671 1.00 14.02 H new ATOM 0 HB3 TRP A 15 -4.105 2.737 1.670 1.00 14.02 H new ATOM 0 HD1 TRP A 15 -2.546 -0.265 1.261 1.00 32.24 H new ATOM 0 HE1 TRP A 15 -0.527 -0.737 2.809 1.00 32.20 H new ATOM 0 HE3 TRP A 15 -1.500 4.549 2.616 1.00 40.24 H new ATOM 0 HZ2 TRP A 15 1.248 0.780 4.376 1.00 24.25 H new ATOM 0 HZ3 TRP A 15 0.379 4.963 4.152 1.00 13.22 H new ATOM 0 HH2 TRP A 15 1.738 3.102 5.016 1.00 32.15 H new ATOM 274 N LYS A 16 -6.031 1.272 0.530 1.00 54.52 N ATOM 275 CA LYS A 16 -7.144 0.431 0.956 1.00 74.32 C ATOM 276 C LYS A 16 -7.752 -0.310 -0.231 1.00 23.42 C ATOM 277 O LYS A 16 -8.235 -1.435 -0.093 1.00 65.35 O ATOM 278 CB LYS A 16 -8.217 1.279 1.643 1.00 0.21 C ATOM 279 CG LYS A 16 -9.039 2.117 0.679 1.00 5.43 C ATOM 280 CD LYS A 16 -10.049 2.982 1.416 1.00 71.23 C ATOM 281 CE LYS A 16 -11.429 2.343 1.424 1.00 40.55 C ATOM 282 NZ LYS A 16 -12.197 2.665 0.189 1.00 24.22 N ATOM 0 H LYS A 16 -6.246 2.268 0.493 1.00 54.52 H new ATOM 0 HA LYS A 16 -6.761 -0.304 1.664 1.00 74.32 H new ATOM 0 HB2 LYS A 16 -8.885 0.623 2.201 1.00 0.21 H new ATOM 0 HB3 LYS A 16 -7.739 1.938 2.368 1.00 0.21 H new ATOM 0 HG2 LYS A 16 -8.376 2.751 0.090 1.00 5.43 H new ATOM 0 HG3 LYS A 16 -9.560 1.463 -0.021 1.00 5.43 H new ATOM 0 HD2 LYS A 16 -9.714 3.141 2.441 1.00 71.23 H new ATOM 0 HD3 LYS A 16 -10.104 3.963 0.943 1.00 71.23 H new ATOM 0 HE2 LYS A 16 -11.328 1.262 1.517 1.00 40.55 H new ATOM 0 HE3 LYS A 16 -11.984 2.688 2.297 1.00 40.55 H new ATOM 0 HZ1 LYS A 16 -13.132 2.211 0.233 1.00 24.22 H new ATOM 0 HZ2 LYS A 16 -12.316 3.695 0.113 1.00 24.22 H new ATOM 0 HZ3 LYS A 16 -11.680 2.314 -0.643 1.00 24.22 H new ATOM 296 N LYS A 17 -7.722 0.325 -1.398 1.00 1.11 N ATOM 297 CA LYS A 17 -8.267 -0.275 -2.610 1.00 64.31 C ATOM 298 C LYS A 17 -7.487 -1.529 -2.995 1.00 42.12 C ATOM 299 O LYS A 17 -8.056 -2.614 -3.111 1.00 31.34 O ATOM 300 CB LYS A 17 -8.232 0.733 -3.762 1.00 54.22 C ATOM 301 CG LYS A 17 -9.518 1.528 -3.912 1.00 14.41 C ATOM 302 CD LYS A 17 -10.326 1.061 -5.111 1.00 11.54 C ATOM 303 CE LYS A 17 -11.239 2.161 -5.630 1.00 51.44 C ATOM 304 NZ LYS A 17 -10.772 2.700 -6.937 1.00 31.34 N ATOM 0 H LYS A 17 -7.326 1.256 -1.530 1.00 1.11 H new ATOM 0 HA LYS A 17 -9.301 -0.558 -2.412 1.00 64.31 H new ATOM 0 HB2 LYS A 17 -7.404 1.424 -3.605 1.00 54.22 H new ATOM 0 HB3 LYS A 17 -8.032 0.202 -4.693 1.00 54.22 H new ATOM 0 HG2 LYS A 17 -10.117 1.427 -3.007 1.00 14.41 H new ATOM 0 HG3 LYS A 17 -9.282 2.586 -4.021 1.00 14.41 H new ATOM 0 HD2 LYS A 17 -9.650 0.743 -5.905 1.00 11.54 H new ATOM 0 HD3 LYS A 17 -10.923 0.192 -4.833 1.00 11.54 H new ATOM 0 HE2 LYS A 17 -12.251 1.771 -5.739 1.00 51.44 H new ATOM 0 HE3 LYS A 17 -11.285 2.969 -4.900 1.00 51.44 H new ATOM 0 HZ1 LYS A 17 -11.421 3.447 -7.256 1.00 31.34 H new ATOM 0 HZ2 LYS A 17 -9.816 3.095 -6.828 1.00 31.34 H new ATOM 0 HZ3 LYS A 17 -10.752 1.935 -7.641 1.00 31.34 H new ATOM 318 N LEU A 18 -6.182 -1.372 -3.190 1.00 44.31 N ATOM 319 CA LEU A 18 -5.324 -2.491 -3.560 1.00 1.45 C ATOM 320 C LEU A 18 -5.456 -3.633 -2.557 1.00 52.33 C ATOM 321 O LEU A 18 -5.523 -4.801 -2.938 1.00 21.45 O ATOM 322 CB LEU A 18 -3.865 -2.036 -3.641 1.00 41.22 C ATOM 323 CG LEU A 18 -3.489 -1.208 -4.870 1.00 62.03 C ATOM 324 CD1 LEU A 18 -2.553 -0.073 -4.482 1.00 42.10 C ATOM 325 CD2 LEU A 18 -2.849 -2.089 -5.933 1.00 13.43 C ATOM 0 H LEU A 18 -5.695 -0.480 -3.098 1.00 44.31 H new ATOM 0 HA LEU A 18 -5.641 -2.852 -4.538 1.00 1.45 H new ATOM 0 HB2 LEU A 18 -3.637 -1.451 -2.750 1.00 41.22 H new ATOM 0 HB3 LEU A 18 -3.227 -2.920 -3.614 1.00 41.22 H new ATOM 0 HG LEU A 18 -4.400 -0.776 -5.285 1.00 62.03 H new ATOM 0 HD11 LEU A 18 -2.296 0.506 -5.369 1.00 42.10 H new ATOM 0 HD12 LEU A 18 -3.047 0.574 -3.757 1.00 42.10 H new ATOM 0 HD13 LEU A 18 -1.645 -0.485 -4.042 1.00 42.10 H new ATOM 0 HD21 LEU A 18 -2.588 -1.482 -6.800 1.00 13.43 H new ATOM 0 HD22 LEU A 18 -1.948 -2.550 -5.529 1.00 13.43 H new ATOM 0 HD23 LEU A 18 -3.552 -2.867 -6.233 1.00 13.43 H new ATOM 337 N ALA A 19 -5.497 -3.287 -1.275 1.00 62.34 N ATOM 338 CA ALA A 19 -5.626 -4.282 -0.219 1.00 4.05 C ATOM 339 C ALA A 19 -6.893 -5.112 -0.398 1.00 24.53 C ATOM 340 O ALA A 19 -6.978 -6.242 0.081 1.00 3.12 O ATOM 341 CB ALA A 19 -5.624 -3.608 1.146 1.00 53.23 C ATOM 0 H ALA A 19 -5.443 -2.324 -0.943 1.00 62.34 H new ATOM 0 HA ALA A 19 -4.770 -4.954 -0.282 1.00 4.05 H new ATOM 0 HB1 ALA A 19 -5.721 -4.364 1.925 1.00 53.23 H new ATOM 0 HB2 ALA A 19 -4.689 -3.065 1.282 1.00 53.23 H new ATOM 0 HB3 ALA A 19 -6.461 -2.912 1.209 1.00 53.23 H new ATOM 347 N GLU A 20 -7.874 -4.544 -1.091 1.00 60.11 N ATOM 348 CA GLU A 20 -9.137 -5.232 -1.332 1.00 31.12 C ATOM 349 C GLU A 20 -8.963 -6.342 -2.366 1.00 2.24 C ATOM 350 O GLU A 20 -9.386 -7.477 -2.148 1.00 30.10 O ATOM 351 CB GLU A 20 -10.201 -4.240 -1.807 1.00 13.24 C ATOM 352 CG GLU A 20 -11.600 -4.566 -1.312 1.00 65.12 C ATOM 353 CD GLU A 20 -12.255 -3.396 -0.603 1.00 25.31 C ATOM 354 OE1 GLU A 20 -13.366 -3.002 -1.013 1.00 74.05 O ATOM 355 OE2 GLU A 20 -11.656 -2.874 0.360 1.00 1.01 O ATOM 0 H GLU A 20 -7.819 -3.609 -1.496 1.00 60.11 H new ATOM 0 HA GLU A 20 -9.462 -5.681 -0.393 1.00 31.12 H new ATOM 0 HB2 GLU A 20 -9.929 -3.240 -1.470 1.00 13.24 H new ATOM 0 HB3 GLU A 20 -10.206 -4.219 -2.897 1.00 13.24 H new ATOM 0 HG2 GLU A 20 -12.219 -4.867 -2.157 1.00 65.12 H new ATOM 0 HG3 GLU A 20 -11.552 -5.417 -0.633 1.00 65.12 H new ATOM 363 N GLU A 21 -8.338 -6.004 -3.489 1.00 22.53 N ATOM 364 CA GLU A 21 -8.109 -6.971 -4.556 1.00 12.51 C ATOM 365 C GLU A 21 -7.003 -7.951 -4.175 1.00 44.54 C ATOM 366 O GLU A 21 -7.178 -9.166 -4.259 1.00 62.14 O ATOM 367 CB GLU A 21 -7.743 -6.253 -5.856 1.00 11.41 C ATOM 368 CG GLU A 21 -8.730 -5.166 -6.250 1.00 12.12 C ATOM 369 CD GLU A 21 -9.498 -5.505 -7.514 1.00 25.14 C ATOM 370 OE1 GLU A 21 -10.549 -6.170 -7.408 1.00 51.04 O ATOM 371 OE2 GLU A 21 -9.045 -5.106 -8.608 1.00 43.50 O ATOM 0 H GLU A 21 -7.981 -5.068 -3.684 1.00 22.53 H new ATOM 0 HA GLU A 21 -9.032 -7.532 -4.706 1.00 12.51 H new ATOM 0 HB2 GLU A 21 -6.752 -5.811 -5.751 1.00 11.41 H new ATOM 0 HB3 GLU A 21 -7.682 -6.985 -6.661 1.00 11.41 H new ATOM 0 HG2 GLU A 21 -9.434 -5.006 -5.433 1.00 12.12 H new ATOM 0 HG3 GLU A 21 -8.193 -4.229 -6.396 1.00 12.12 H new ATOM 379 N ALA A 22 -5.863 -7.412 -3.754 1.00 30.01 N ATOM 380 CA ALA A 22 -4.729 -8.237 -3.359 1.00 64.40 C ATOM 381 C ALA A 22 -5.138 -9.268 -2.312 1.00 62.12 C ATOM 382 O ALA A 22 -4.566 -10.355 -2.243 1.00 1.33 O ATOM 383 CB ALA A 22 -3.600 -7.364 -2.829 1.00 32.12 C ATOM 0 H ALA A 22 -5.701 -6.408 -3.678 1.00 30.01 H new ATOM 0 HA ALA A 22 -4.377 -8.773 -4.241 1.00 64.40 H new ATOM 0 HB1 ALA A 22 -2.759 -7.994 -2.538 1.00 32.12 H new ATOM 0 HB2 ALA A 22 -3.281 -6.670 -3.607 1.00 32.12 H new ATOM 0 HB3 ALA A 22 -3.950 -6.803 -1.963 1.00 32.12 H new ATOM 389 N ALA A 23 -6.129 -8.917 -1.500 1.00 15.14 N ATOM 390 CA ALA A 23 -6.616 -9.814 -0.458 1.00 62.02 C ATOM 391 C ALA A 23 -7.383 -10.987 -1.057 1.00 21.44 C ATOM 392 O ALA A 23 -7.076 -12.148 -0.783 1.00 71.34 O ATOM 393 CB ALA A 23 -7.495 -9.053 0.525 1.00 23.54 C ATOM 0 H ALA A 23 -6.611 -8.019 -1.543 1.00 15.14 H new ATOM 0 HA ALA A 23 -5.753 -10.213 0.076 1.00 62.02 H new ATOM 0 HB1 ALA A 23 -7.852 -9.735 1.297 1.00 23.54 H new ATOM 0 HB2 ALA A 23 -6.916 -8.253 0.986 1.00 23.54 H new ATOM 0 HB3 ALA A 23 -8.347 -8.626 -0.004 1.00 23.54 H new ATOM 399 N LYS A 24 -8.383 -10.679 -1.875 1.00 54.05 N ATOM 400 CA LYS A 24 -9.196 -11.707 -2.514 1.00 20.34 C ATOM 401 C LYS A 24 -8.357 -12.542 -3.478 1.00 40.22 C ATOM 402 O LYS A 24 -8.596 -13.738 -3.649 1.00 22.11 O ATOM 403 CB LYS A 24 -10.367 -11.070 -3.263 1.00 41.42 C ATOM 404 CG LYS A 24 -9.945 -10.005 -4.261 1.00 1.52 C ATOM 405 CD LYS A 24 -11.144 -9.402 -4.973 1.00 70.20 C ATOM 406 CE LYS A 24 -11.836 -8.357 -4.111 1.00 73.40 C ATOM 407 NZ LYS A 24 -13.026 -7.776 -4.793 1.00 52.31 N ATOM 0 H LYS A 24 -8.651 -9.724 -2.112 1.00 54.05 H new ATOM 0 HA LYS A 24 -9.585 -12.362 -1.735 1.00 20.34 H new ATOM 0 HB2 LYS A 24 -10.918 -11.850 -3.788 1.00 41.42 H new ATOM 0 HB3 LYS A 24 -11.052 -10.627 -2.540 1.00 41.42 H new ATOM 0 HG2 LYS A 24 -9.394 -9.219 -3.745 1.00 1.52 H new ATOM 0 HG3 LYS A 24 -9.266 -10.441 -4.994 1.00 1.52 H new ATOM 0 HD2 LYS A 24 -10.822 -8.947 -5.910 1.00 70.20 H new ATOM 0 HD3 LYS A 24 -11.851 -10.191 -5.229 1.00 70.20 H new ATOM 0 HE2 LYS A 24 -12.143 -8.809 -3.168 1.00 73.40 H new ATOM 0 HE3 LYS A 24 -11.131 -7.561 -3.869 1.00 73.40 H new ATOM 0 HZ1 LYS A 24 -13.470 -7.068 -4.174 1.00 52.31 H new ATOM 0 HZ2 LYS A 24 -12.730 -7.322 -5.681 1.00 52.31 H new ATOM 0 HZ3 LYS A 24 -13.710 -8.531 -5.001 1.00 52.31 H new ATOM 421 N LEU A 25 -7.373 -11.905 -4.103 1.00 41.42 N ATOM 422 CA LEU A 25 -6.498 -12.588 -5.048 1.00 20.43 C ATOM 423 C LEU A 25 -5.472 -13.448 -4.317 1.00 52.52 C ATOM 424 O LEU A 25 -5.179 -14.571 -4.729 1.00 35.40 O ATOM 425 CB LEU A 25 -5.784 -11.571 -5.940 1.00 72.30 C ATOM 426 CG LEU A 25 -6.287 -11.473 -7.381 1.00 74.11 C ATOM 427 CD1 LEU A 25 -5.465 -10.462 -8.166 1.00 1.34 C ATOM 428 CD2 LEU A 25 -6.244 -12.837 -8.056 1.00 44.12 C ATOM 0 H LEU A 25 -7.161 -10.916 -3.972 1.00 41.42 H new ATOM 0 HA LEU A 25 -7.114 -13.238 -5.669 1.00 20.43 H new ATOM 0 HB2 LEU A 25 -5.872 -10.588 -5.478 1.00 72.30 H new ATOM 0 HB3 LEU A 25 -4.723 -11.819 -5.963 1.00 72.30 H new ATOM 0 HG LEU A 25 -7.322 -11.132 -7.361 1.00 74.11 H new ATOM 0 HD11 LEU A 25 -5.837 -10.406 -9.189 1.00 1.34 H new ATOM 0 HD12 LEU A 25 -5.547 -9.482 -7.696 1.00 1.34 H new ATOM 0 HD13 LEU A 25 -4.420 -10.772 -8.177 1.00 1.34 H new ATOM 0 HD21 LEU A 25 -6.606 -12.748 -9.080 1.00 44.12 H new ATOM 0 HD22 LEU A 25 -5.219 -13.207 -8.064 1.00 44.12 H new ATOM 0 HD23 LEU A 25 -6.877 -13.535 -7.507 1.00 44.12 H new ATOM 440 N LEU A 26 -4.931 -12.915 -3.227 1.00 3.02 N ATOM 441 CA LEU A 26 -3.939 -13.634 -2.435 1.00 11.44 C ATOM 442 C LEU A 26 -4.429 -15.038 -2.092 1.00 63.12 C ATOM 443 O LEU A 26 -3.712 -16.020 -2.283 1.00 72.24 O ATOM 444 CB LEU A 26 -3.625 -12.864 -1.151 1.00 34.00 C ATOM 445 CG LEU A 26 -2.380 -11.978 -1.188 1.00 62.24 C ATOM 446 CD1 LEU A 26 -2.245 -11.193 0.108 1.00 32.31 C ATOM 447 CD2 LEU A 26 -1.136 -12.817 -1.438 1.00 4.43 C ATOM 0 H LEU A 26 -5.163 -11.987 -2.871 1.00 3.02 H new ATOM 0 HA LEU A 26 -3.030 -13.721 -3.030 1.00 11.44 H new ATOM 0 HB2 LEU A 26 -4.484 -12.239 -0.906 1.00 34.00 H new ATOM 0 HB3 LEU A 26 -3.512 -13.582 -0.339 1.00 34.00 H new ATOM 0 HG LEU A 26 -2.486 -11.269 -2.009 1.00 62.24 H new ATOM 0 HD11 LEU A 26 -1.353 -10.568 0.064 1.00 32.31 H new ATOM 0 HD12 LEU A 26 -3.124 -10.563 0.245 1.00 32.31 H new ATOM 0 HD13 LEU A 26 -2.161 -11.885 0.946 1.00 32.31 H new ATOM 0 HD21 LEU A 26 -0.259 -12.170 -1.461 1.00 4.43 H new ATOM 0 HD22 LEU A 26 -1.025 -13.550 -0.639 1.00 4.43 H new ATOM 0 HD23 LEU A 26 -1.231 -13.333 -2.393 1.00 4.43 H new ATOM 459 N GLU A 27 -5.656 -15.124 -1.588 1.00 41.44 N ATOM 460 CA GLU A 27 -6.242 -16.408 -1.220 1.00 62.35 C ATOM 461 C GLU A 27 -7.058 -16.983 -2.374 1.00 3.31 C ATOM 462 O GLU A 27 -7.815 -17.937 -2.198 1.00 44.21 O ATOM 463 CB GLU A 27 -7.127 -16.253 0.019 1.00 54.14 C ATOM 464 CG GLU A 27 -6.498 -15.411 1.116 1.00 72.52 C ATOM 465 CD GLU A 27 -7.109 -15.675 2.477 1.00 0.34 C ATOM 466 OE1 GLU A 27 -7.004 -14.794 3.356 1.00 14.01 O ATOM 467 OE2 GLU A 27 -7.693 -16.763 2.665 1.00 2.43 O ATOM 0 H GLU A 27 -6.263 -14.321 -1.425 1.00 41.44 H new ATOM 0 HA GLU A 27 -5.430 -17.099 -0.993 1.00 62.35 H new ATOM 0 HB2 GLU A 27 -8.074 -15.801 -0.276 1.00 54.14 H new ATOM 0 HB3 GLU A 27 -7.356 -17.241 0.418 1.00 54.14 H new ATOM 0 HG2 GLU A 27 -5.428 -15.615 1.157 1.00 72.52 H new ATOM 0 HG3 GLU A 27 -6.612 -14.355 0.869 1.00 72.52 H new ATOM 475 N GLY A 28 -6.899 -16.394 -3.555 1.00 51.21 N ATOM 476 CA GLY A 28 -7.628 -16.861 -4.720 1.00 70.50 C ATOM 477 C GLY A 28 -7.323 -18.308 -5.053 1.00 73.12 C ATOM 478 O GLY A 28 -8.034 -18.934 -5.838 1.00 13.22 O ATOM 0 H GLY A 28 -6.279 -15.602 -3.726 1.00 51.21 H new ATOM 0 HA2 GLY A 28 -8.698 -16.750 -4.544 1.00 70.50 H new ATOM 0 HA3 GLY A 28 -7.379 -16.234 -5.576 1.00 70.50 H new ATOM 482 N GLY A 29 -6.261 -18.841 -4.456 1.00 53.53 N ATOM 483 CA GLY A 29 -5.883 -20.219 -4.707 1.00 14.45 C ATOM 484 C GLY A 29 -4.392 -20.379 -4.931 1.00 34.41 C ATOM 485 O GLY A 29 -3.967 -21.085 -5.845 1.00 51.24 O ATOM 0 H GLY A 29 -5.656 -18.343 -3.803 1.00 53.53 H new ATOM 0 HA2 GLY A 29 -6.189 -20.836 -3.862 1.00 14.45 H new ATOM 0 HA3 GLY A 29 -6.420 -20.587 -5.581 1.00 14.45 H new ATOM 489 N GLY A 30 -3.595 -19.719 -4.096 1.00 11.31 N ATOM 490 CA GLY A 30 -2.152 -19.803 -4.225 1.00 54.20 C ATOM 491 C GLY A 30 -1.427 -19.011 -3.156 1.00 3.50 C ATOM 492 O GLY A 30 -1.073 -19.549 -2.108 1.00 63.00 O ATOM 0 H GLY A 30 -3.923 -19.128 -3.332 1.00 11.31 H new ATOM 0 HA2 GLY A 30 -1.846 -20.848 -4.169 1.00 54.20 H new ATOM 0 HA3 GLY A 30 -1.856 -19.436 -5.208 1.00 54.20 H new ATOM 496 N GLY A 31 -1.204 -17.727 -3.421 1.00 53.14 N ATOM 497 CA GLY A 31 -0.516 -16.880 -2.464 1.00 13.23 C ATOM 498 C GLY A 31 0.835 -17.439 -2.063 1.00 72.14 C ATOM 499 O GLY A 31 1.776 -17.437 -2.856 1.00 52.52 O ATOM 0 H GLY A 31 -1.488 -17.258 -4.281 1.00 53.14 H new ATOM 0 HA2 GLY A 31 -0.382 -15.887 -2.892 1.00 13.23 H new ATOM 0 HA3 GLY A 31 -1.136 -16.763 -1.575 1.00 13.23 H new ATOM 503 N GLY A 32 0.933 -17.917 -0.826 1.00 71.00 N ATOM 504 CA GLY A 32 2.183 -18.473 -0.343 1.00 23.12 C ATOM 505 C GLY A 32 1.975 -19.694 0.531 1.00 21.25 C ATOM 506 O GLY A 32 1.648 -20.772 0.035 1.00 25.03 O ATOM 0 H GLY A 32 0.169 -17.929 -0.150 1.00 71.00 H new ATOM 0 HA2 GLY A 32 2.810 -18.741 -1.193 1.00 23.12 H new ATOM 0 HA3 GLY A 32 2.721 -17.712 0.223 1.00 23.12 H new ATOM 510 N GLY A 33 2.168 -19.527 1.836 1.00 54.02 N ATOM 511 CA GLY A 33 1.998 -20.633 2.759 1.00 53.13 C ATOM 512 C GLY A 33 0.798 -20.450 3.667 1.00 3.42 C ATOM 513 O GLY A 33 0.080 -21.406 3.959 1.00 3.43 O ATOM 0 H GLY A 33 2.439 -18.645 2.270 1.00 54.02 H new ATOM 0 HA2 GLY A 33 1.885 -21.559 2.195 1.00 53.13 H new ATOM 0 HA3 GLY A 33 2.897 -20.737 3.366 1.00 53.13 H new ATOM 517 N GLY A 34 0.581 -19.219 4.118 1.00 41.44 N ATOM 518 CA GLY A 34 -0.540 -18.936 4.996 1.00 33.45 C ATOM 519 C GLY A 34 -0.099 -18.566 6.398 1.00 44.32 C ATOM 520 O GLY A 34 0.479 -19.384 7.111 1.00 10.23 O ATOM 0 H GLY A 34 1.162 -18.412 3.891 1.00 41.44 H new ATOM 0 HA2 GLY A 34 -1.129 -18.120 4.577 1.00 33.45 H new ATOM 0 HA3 GLY A 34 -1.191 -19.809 5.042 1.00 33.45 H new ATOM 524 N GLY A 35 -0.371 -17.326 6.794 1.00 4.14 N ATOM 525 CA GLY A 35 0.011 -16.870 8.118 1.00 12.41 C ATOM 526 C GLY A 35 0.433 -15.414 8.131 1.00 50.22 C ATOM 527 O GLY A 35 -0.215 -14.569 7.515 1.00 0.30 O ATOM 0 H GLY A 35 -0.849 -16.630 6.222 1.00 4.14 H new ATOM 0 HA2 GLY A 35 -0.826 -17.008 8.802 1.00 12.41 H new ATOM 0 HA3 GLY A 35 0.831 -17.486 8.489 1.00 12.41 H new ATOM 531 N GLU A 36 1.522 -15.122 8.835 1.00 60.52 N ATOM 532 CA GLU A 36 2.028 -13.758 8.926 1.00 43.14 C ATOM 533 C GLU A 36 2.325 -13.193 7.540 1.00 31.43 C ATOM 534 O GLU A 36 2.175 -11.994 7.300 1.00 20.44 O ATOM 535 CB GLU A 36 3.292 -13.715 9.789 1.00 54.34 C ATOM 536 CG GLU A 36 3.988 -12.365 9.781 1.00 74.22 C ATOM 537 CD GLU A 36 5.033 -12.241 10.872 1.00 3.55 C ATOM 538 OE1 GLU A 36 4.654 -11.944 12.025 1.00 4.12 O ATOM 539 OE2 GLU A 36 6.230 -12.442 10.575 1.00 52.52 O ATOM 0 H GLU A 36 2.070 -15.811 9.350 1.00 60.52 H new ATOM 0 HA GLU A 36 1.258 -13.143 9.392 1.00 43.14 H new ATOM 0 HB2 GLU A 36 3.030 -13.973 10.815 1.00 54.34 H new ATOM 0 HB3 GLU A 36 3.989 -14.476 9.437 1.00 54.34 H new ATOM 0 HG2 GLU A 36 4.461 -12.210 8.811 1.00 74.22 H new ATOM 0 HG3 GLU A 36 3.245 -11.577 9.903 1.00 74.22 H new ATOM 547 N LEU A 37 2.749 -14.065 6.632 1.00 51.11 N ATOM 548 CA LEU A 37 3.070 -13.655 5.269 1.00 15.43 C ATOM 549 C LEU A 37 1.824 -13.155 4.543 1.00 0.24 C ATOM 550 O LEU A 37 1.839 -12.090 3.927 1.00 25.01 O ATOM 551 CB LEU A 37 3.688 -14.822 4.496 1.00 24.13 C ATOM 552 CG LEU A 37 3.721 -14.678 2.975 1.00 71.32 C ATOM 553 CD1 LEU A 37 4.617 -13.518 2.568 1.00 32.13 C ATOM 554 CD2 LEU A 37 4.193 -15.971 2.326 1.00 24.33 C ATOM 0 H LEU A 37 2.879 -15.060 6.815 1.00 51.11 H new ATOM 0 HA LEU A 37 3.791 -12.839 5.322 1.00 15.43 H new ATOM 0 HB2 LEU A 37 4.709 -14.965 4.849 1.00 24.13 H new ATOM 0 HB3 LEU A 37 3.135 -15.728 4.743 1.00 24.13 H new ATOM 0 HG LEU A 37 2.709 -14.469 2.628 1.00 71.32 H new ATOM 0 HD11 LEU A 37 4.628 -13.431 1.482 1.00 32.13 H new ATOM 0 HD12 LEU A 37 4.236 -12.594 3.002 1.00 32.13 H new ATOM 0 HD13 LEU A 37 5.630 -13.697 2.928 1.00 32.13 H new ATOM 0 HD21 LEU A 37 4.210 -15.849 1.243 1.00 24.33 H new ATOM 0 HD22 LEU A 37 5.196 -16.211 2.680 1.00 24.33 H new ATOM 0 HD23 LEU A 37 3.512 -16.780 2.590 1.00 24.33 H new ATOM 566 N MET A 38 0.747 -13.930 4.624 1.00 24.20 N ATOM 567 CA MET A 38 -0.508 -13.563 3.978 1.00 2.13 C ATOM 568 C MET A 38 -1.163 -12.385 4.694 1.00 32.33 C ATOM 569 O MET A 38 -1.632 -11.443 4.056 1.00 40.44 O ATOM 570 CB MET A 38 -1.463 -14.757 3.957 1.00 54.20 C ATOM 571 CG MET A 38 -2.869 -14.402 3.502 1.00 52.34 C ATOM 572 SD MET A 38 -3.992 -15.812 3.550 1.00 15.45 S ATOM 573 CE MET A 38 -3.143 -16.956 2.464 1.00 13.15 C ATOM 0 H MET A 38 0.718 -14.815 5.130 1.00 24.20 H new ATOM 0 HA MET A 38 -0.288 -13.266 2.953 1.00 2.13 H new ATOM 0 HB2 MET A 38 -1.059 -15.524 3.296 1.00 54.20 H new ATOM 0 HB3 MET A 38 -1.512 -15.191 4.956 1.00 54.20 H new ATOM 0 HG2 MET A 38 -3.262 -13.608 4.136 1.00 52.34 H new ATOM 0 HG3 MET A 38 -2.829 -14.009 2.486 1.00 52.34 H new ATOM 0 HE1 MET A 38 -3.870 -17.460 1.827 1.00 13.15 H new ATOM 0 HE2 MET A 38 -2.433 -16.409 1.843 1.00 13.15 H new ATOM 0 HE3 MET A 38 -2.609 -17.695 3.061 1.00 13.15 H new ATOM 583 N LYS A 39 -1.191 -12.446 6.020 1.00 21.21 N ATOM 584 CA LYS A 39 -1.787 -11.385 6.823 1.00 53.23 C ATOM 585 C LYS A 39 -1.001 -10.085 6.678 1.00 15.30 C ATOM 586 O LYS A 39 -1.556 -8.994 6.816 1.00 63.11 O ATOM 587 CB LYS A 39 -1.841 -11.799 8.296 1.00 72.43 C ATOM 588 CG LYS A 39 -2.455 -10.746 9.201 1.00 1.00 C ATOM 589 CD LYS A 39 -1.468 -10.273 10.254 1.00 2.03 C ATOM 590 CE LYS A 39 -2.074 -9.200 11.146 1.00 74.12 C ATOM 591 NZ LYS A 39 -2.721 -9.784 12.355 1.00 71.43 N ATOM 0 H LYS A 39 -0.807 -13.220 6.563 1.00 21.21 H new ATOM 0 HA LYS A 39 -2.802 -11.218 6.462 1.00 53.23 H new ATOM 0 HB2 LYS A 39 -2.415 -12.722 8.385 1.00 72.43 H new ATOM 0 HB3 LYS A 39 -0.830 -12.018 8.641 1.00 72.43 H new ATOM 0 HG2 LYS A 39 -2.784 -9.897 8.602 1.00 1.00 H new ATOM 0 HG3 LYS A 39 -3.340 -11.155 9.688 1.00 1.00 H new ATOM 0 HD2 LYS A 39 -1.153 -11.119 10.864 1.00 2.03 H new ATOM 0 HD3 LYS A 39 -0.575 -9.881 9.767 1.00 2.03 H new ATOM 0 HE2 LYS A 39 -1.296 -8.500 11.452 1.00 74.12 H new ATOM 0 HE3 LYS A 39 -2.810 -8.630 10.580 1.00 74.12 H new ATOM 0 HZ1 LYS A 39 -3.122 -9.021 12.937 1.00 71.43 H new ATOM 0 HZ2 LYS A 39 -3.480 -10.432 12.064 1.00 71.43 H new ATOM 0 HZ3 LYS A 39 -2.013 -10.307 12.909 1.00 71.43 H new ATOM 605 N LEU A 40 0.291 -10.209 6.398 1.00 35.13 N ATOM 606 CA LEU A 40 1.153 -9.045 6.232 1.00 42.01 C ATOM 607 C LEU A 40 0.586 -8.093 5.185 1.00 71.52 C ATOM 608 O LEU A 40 0.628 -6.873 5.352 1.00 3.34 O ATOM 609 CB LEU A 40 2.563 -9.483 5.831 1.00 60.31 C ATOM 610 CG LEU A 40 3.608 -9.483 6.946 1.00 64.40 C ATOM 611 CD1 LEU A 40 4.867 -10.211 6.498 1.00 42.12 C ATOM 612 CD2 LEU A 40 3.937 -8.059 7.370 1.00 53.35 C ATOM 0 H LEU A 40 0.765 -11.105 6.281 1.00 35.13 H new ATOM 0 HA LEU A 40 1.201 -8.519 7.186 1.00 42.01 H new ATOM 0 HB2 LEU A 40 2.505 -10.489 5.415 1.00 60.31 H new ATOM 0 HB3 LEU A 40 2.912 -8.828 5.033 1.00 60.31 H new ATOM 0 HG LEU A 40 3.193 -10.010 7.805 1.00 64.40 H new ATOM 0 HD11 LEU A 40 5.600 -10.201 7.305 1.00 42.12 H new ATOM 0 HD12 LEU A 40 4.620 -11.242 6.245 1.00 42.12 H new ATOM 0 HD13 LEU A 40 5.284 -9.712 5.623 1.00 42.12 H new ATOM 0 HD21 LEU A 40 4.683 -8.079 8.165 1.00 53.35 H new ATOM 0 HD22 LEU A 40 4.331 -7.507 6.517 1.00 53.35 H new ATOM 0 HD23 LEU A 40 3.033 -7.569 7.733 1.00 53.35 H new ATOM 624 N CYS A 41 0.056 -8.656 4.105 1.00 33.05 N ATOM 625 CA CYS A 41 -0.521 -7.857 3.029 1.00 5.40 C ATOM 626 C CYS A 41 -1.817 -7.192 3.482 1.00 30.03 C ATOM 627 O CYS A 41 -2.106 -6.056 3.107 1.00 50.02 O ATOM 628 CB CYS A 41 -0.784 -8.730 1.802 1.00 32.32 C ATOM 629 SG CYS A 41 -1.617 -7.868 0.448 1.00 32.22 S ATOM 0 H CYS A 41 0.014 -9.663 3.951 1.00 33.05 H new ATOM 0 HA CYS A 41 0.194 -7.078 2.765 1.00 5.40 H new ATOM 0 HB2 CYS A 41 0.166 -9.123 1.439 1.00 32.32 H new ATOM 0 HB3 CYS A 41 -1.390 -9.586 2.101 1.00 32.32 H new ATOM 0 HG CYS A 41 -2.026 -6.705 0.861 1.00 32.22 H new ATOM 635 N GLU A 42 -2.594 -7.909 4.289 1.00 62.22 N ATOM 636 CA GLU A 42 -3.860 -7.388 4.790 1.00 62.21 C ATOM 637 C GLU A 42 -3.652 -6.067 5.526 1.00 70.34 C ATOM 638 O GLU A 42 -4.566 -5.248 5.621 1.00 12.02 O ATOM 639 CB GLU A 42 -4.522 -8.404 5.723 1.00 4.24 C ATOM 640 CG GLU A 42 -6.022 -8.209 5.869 1.00 21.13 C ATOM 641 CD GLU A 42 -6.811 -9.438 5.460 1.00 43.35 C ATOM 642 OE1 GLU A 42 -6.648 -9.891 4.309 1.00 73.20 O ATOM 643 OE2 GLU A 42 -7.593 -9.945 6.291 1.00 44.40 O ATOM 0 H GLU A 42 -2.369 -8.851 4.609 1.00 62.22 H new ATOM 0 HA GLU A 42 -4.513 -7.210 3.936 1.00 62.21 H new ATOM 0 HB2 GLU A 42 -4.330 -9.409 5.347 1.00 4.24 H new ATOM 0 HB3 GLU A 42 -4.058 -8.337 6.707 1.00 4.24 H new ATOM 0 HG2 GLU A 42 -6.254 -7.961 6.905 1.00 21.13 H new ATOM 0 HG3 GLU A 42 -6.336 -7.361 5.260 1.00 21.13 H new ATOM 651 N GLU A 43 -2.444 -5.867 6.042 1.00 2.04 N ATOM 652 CA GLU A 43 -2.117 -4.646 6.769 1.00 1.41 C ATOM 653 C GLU A 43 -2.428 -3.411 5.929 1.00 55.51 C ATOM 654 O GLU A 43 -2.750 -2.350 6.461 1.00 2.41 O ATOM 655 CB GLU A 43 -0.639 -4.645 7.170 1.00 51.23 C ATOM 656 CG GLU A 43 -0.230 -5.857 7.990 1.00 64.24 C ATOM 657 CD GLU A 43 -0.463 -5.661 9.475 1.00 54.33 C ATOM 658 OE1 GLU A 43 0.162 -4.751 10.059 1.00 53.03 O ATOM 659 OE2 GLU A 43 -1.269 -6.419 10.055 1.00 75.32 O ATOM 0 H GLU A 43 -1.676 -6.534 5.970 1.00 2.04 H new ATOM 0 HA GLU A 43 -2.731 -4.615 7.669 1.00 1.41 H new ATOM 0 HB2 GLU A 43 -0.027 -4.603 6.269 1.00 51.23 H new ATOM 0 HB3 GLU A 43 -0.427 -3.742 7.742 1.00 51.23 H new ATOM 0 HG2 GLU A 43 -0.791 -6.727 7.650 1.00 64.24 H new ATOM 0 HG3 GLU A 43 0.825 -6.070 7.816 1.00 64.24 H new ATOM 667 N ALA A 44 -2.330 -3.560 4.611 1.00 2.54 N ATOM 668 CA ALA A 44 -2.604 -2.458 3.697 1.00 31.54 C ATOM 669 C ALA A 44 -3.957 -1.822 3.992 1.00 75.51 C ATOM 670 O ALA A 44 -4.091 -0.598 3.995 1.00 30.23 O ATOM 671 CB ALA A 44 -2.549 -2.945 2.256 1.00 61.54 C ATOM 0 H ALA A 44 -2.063 -4.432 4.154 1.00 2.54 H new ATOM 0 HA ALA A 44 -1.837 -1.697 3.843 1.00 31.54 H new ATOM 0 HB1 ALA A 44 -2.755 -2.113 1.583 1.00 61.54 H new ATOM 0 HB2 ALA A 44 -1.557 -3.345 2.045 1.00 61.54 H new ATOM 0 HB3 ALA A 44 -3.295 -3.726 2.107 1.00 61.54 H new ATOM 677 N ALA A 45 -4.958 -2.659 4.239 1.00 15.01 N ATOM 678 CA ALA A 45 -6.302 -2.178 4.536 1.00 72.32 C ATOM 679 C ALA A 45 -6.384 -1.623 5.954 1.00 74.22 C ATOM 680 O ALA A 45 -7.259 -0.814 6.266 1.00 32.30 O ATOM 681 CB ALA A 45 -7.317 -3.294 4.344 1.00 35.32 C ATOM 0 H ALA A 45 -4.864 -3.675 4.239 1.00 15.01 H new ATOM 0 HA ALA A 45 -6.534 -1.369 3.843 1.00 72.32 H new ATOM 0 HB1 ALA A 45 -8.316 -2.920 4.569 1.00 35.32 H new ATOM 0 HB2 ALA A 45 -7.284 -3.642 3.312 1.00 35.32 H new ATOM 0 HB3 ALA A 45 -7.080 -4.121 5.013 1.00 35.32 H new ATOM 687 N LYS A 46 -5.470 -2.064 6.811 1.00 4.20 N ATOM 688 CA LYS A 46 -5.439 -1.612 8.197 1.00 20.44 C ATOM 689 C LYS A 46 -4.827 -0.219 8.300 1.00 24.14 C ATOM 690 O LYS A 46 -5.399 0.678 8.921 1.00 32.14 O ATOM 691 CB LYS A 46 -4.642 -2.595 9.058 1.00 15.34 C ATOM 692 CG LYS A 46 -5.474 -3.274 10.132 1.00 1.44 C ATOM 693 CD LYS A 46 -4.598 -3.999 11.140 1.00 23.10 C ATOM 694 CE LYS A 46 -5.416 -4.541 12.302 1.00 11.11 C ATOM 695 NZ LYS A 46 -6.094 -5.820 11.953 1.00 11.44 N ATOM 0 H LYS A 46 -4.740 -2.735 6.570 1.00 4.20 H new ATOM 0 HA LYS A 46 -6.465 -1.568 8.562 1.00 20.44 H new ATOM 0 HB2 LYS A 46 -4.204 -3.357 8.414 1.00 15.34 H new ATOM 0 HB3 LYS A 46 -3.816 -2.064 9.531 1.00 15.34 H new ATOM 0 HG2 LYS A 46 -6.083 -2.531 10.646 1.00 1.44 H new ATOM 0 HG3 LYS A 46 -6.160 -3.983 9.668 1.00 1.44 H new ATOM 0 HD2 LYS A 46 -4.077 -4.819 10.647 1.00 23.10 H new ATOM 0 HD3 LYS A 46 -3.835 -3.318 11.517 1.00 23.10 H new ATOM 0 HE2 LYS A 46 -4.765 -4.698 13.162 1.00 11.11 H new ATOM 0 HE3 LYS A 46 -6.162 -3.803 12.597 1.00 11.11 H new ATOM 0 HZ1 LYS A 46 -6.641 -6.157 12.771 1.00 11.44 H new ATOM 0 HZ2 LYS A 46 -6.734 -5.665 11.148 1.00 11.44 H new ATOM 0 HZ3 LYS A 46 -5.381 -6.532 11.696 1.00 11.44 H new ATOM 709 N LYS A 47 -3.661 -0.043 7.688 1.00 25.21 N ATOM 710 CA LYS A 47 -2.971 1.243 7.709 1.00 34.12 C ATOM 711 C LYS A 47 -3.795 2.313 7.001 1.00 60.02 C ATOM 712 O LYS A 47 -4.000 3.404 7.532 1.00 10.21 O ATOM 713 CB LYS A 47 -1.598 1.119 7.045 1.00 11.01 C ATOM 714 CG LYS A 47 -0.452 1.000 8.035 1.00 65.45 C ATOM 715 CD LYS A 47 -0.064 -0.450 8.268 1.00 24.11 C ATOM 716 CE LYS A 47 -0.702 -1.001 9.534 1.00 23.25 C ATOM 717 NZ LYS A 47 0.172 -0.805 10.725 1.00 14.50 N ATOM 0 H LYS A 47 -3.173 -0.774 7.171 1.00 25.21 H new ATOM 0 HA LYS A 47 -2.839 1.540 8.749 1.00 34.12 H new ATOM 0 HB2 LYS A 47 -1.596 0.245 6.393 1.00 11.01 H new ATOM 0 HB3 LYS A 47 -1.430 1.990 6.411 1.00 11.01 H new ATOM 0 HG2 LYS A 47 0.410 1.553 7.663 1.00 65.45 H new ATOM 0 HG3 LYS A 47 -0.739 1.457 8.982 1.00 65.45 H new ATOM 0 HD2 LYS A 47 -0.371 -1.052 7.413 1.00 24.11 H new ATOM 0 HD3 LYS A 47 1.021 -0.530 8.341 1.00 24.11 H new ATOM 0 HE2 LYS A 47 -1.660 -0.509 9.702 1.00 23.25 H new ATOM 0 HE3 LYS A 47 -0.907 -2.064 9.405 1.00 23.25 H new ATOM 0 HZ1 LYS A 47 -0.297 -1.193 11.568 1.00 14.50 H new ATOM 0 HZ2 LYS A 47 1.077 -1.295 10.576 1.00 14.50 H new ATOM 0 HZ3 LYS A 47 0.347 0.211 10.864 1.00 14.50 H new ATOM 731 N ALA A 48 -4.265 1.993 5.800 1.00 73.25 N ATOM 732 CA ALA A 48 -5.070 2.926 5.021 1.00 23.20 C ATOM 733 C ALA A 48 -6.236 3.465 5.844 1.00 73.44 C ATOM 734 O ALA A 48 -6.601 4.634 5.727 1.00 70.01 O ATOM 735 CB ALA A 48 -5.580 2.254 3.755 1.00 44.33 C ATOM 0 H ALA A 48 -4.102 1.095 5.345 1.00 73.25 H new ATOM 0 HA ALA A 48 -4.437 3.768 4.742 1.00 23.20 H new ATOM 0 HB1 ALA A 48 -6.179 2.962 3.183 1.00 44.33 H new ATOM 0 HB2 ALA A 48 -4.734 1.925 3.152 1.00 44.33 H new ATOM 0 HB3 ALA A 48 -6.192 1.393 4.022 1.00 44.33 H new ATOM 741 N GLU A 49 -6.816 2.603 6.673 1.00 41.44 N ATOM 742 CA GLU A 49 -7.942 2.994 7.514 1.00 72.12 C ATOM 743 C GLU A 49 -7.511 4.015 8.562 1.00 62.23 C ATOM 744 O GLU A 49 -8.276 4.906 8.927 1.00 54.43 O ATOM 745 CB GLU A 49 -8.545 1.767 8.199 1.00 3.41 C ATOM 746 CG GLU A 49 -10.016 1.923 8.544 1.00 40.44 C ATOM 747 CD GLU A 49 -10.902 0.960 7.776 1.00 3.14 C ATOM 748 OE1 GLU A 49 -11.612 1.414 6.855 1.00 10.41 O ATOM 749 OE2 GLU A 49 -10.884 -0.246 8.098 1.00 72.31 O ATOM 0 H GLU A 49 -6.526 1.631 6.780 1.00 41.44 H new ATOM 0 HA GLU A 49 -8.697 3.453 6.875 1.00 72.12 H new ATOM 0 HB2 GLU A 49 -8.423 0.901 7.548 1.00 3.41 H new ATOM 0 HB3 GLU A 49 -7.987 1.560 9.112 1.00 3.41 H new ATOM 0 HG2 GLU A 49 -10.153 1.763 9.613 1.00 40.44 H new ATOM 0 HG3 GLU A 49 -10.328 2.946 8.332 1.00 40.44 H new ATOM 757 N GLU A 50 -6.278 3.878 9.042 1.00 73.44 N ATOM 758 CA GLU A 50 -5.745 4.788 10.048 1.00 52.43 C ATOM 759 C GLU A 50 -5.404 6.142 9.432 1.00 53.00 C ATOM 760 O GLU A 50 -5.658 7.189 10.028 1.00 42.32 O ATOM 761 CB GLU A 50 -4.501 4.186 10.704 1.00 31.02 C ATOM 762 CG GLU A 50 -4.812 3.066 11.684 1.00 63.42 C ATOM 763 CD GLU A 50 -5.024 3.571 13.098 1.00 3.20 C ATOM 764 OE1 GLU A 50 -6.154 3.432 13.613 1.00 63.33 O ATOM 765 OE2 GLU A 50 -4.063 4.104 13.689 1.00 3.12 O ATOM 0 H GLU A 50 -5.631 3.146 8.750 1.00 73.44 H new ATOM 0 HA GLU A 50 -6.512 4.937 10.808 1.00 52.43 H new ATOM 0 HB2 GLU A 50 -3.839 3.804 9.927 1.00 31.02 H new ATOM 0 HB3 GLU A 50 -3.958 4.974 11.226 1.00 31.02 H new ATOM 0 HG2 GLU A 50 -5.706 2.537 11.353 1.00 63.42 H new ATOM 0 HG3 GLU A 50 -3.994 2.345 11.678 1.00 63.42 H new ATOM 773 N LEU A 51 -4.826 6.112 8.236 1.00 3.31 N ATOM 774 CA LEU A 51 -4.448 7.336 7.539 1.00 61.23 C ATOM 775 C LEU A 51 -5.680 8.059 7.003 1.00 64.31 C ATOM 776 O LEU A 51 -5.835 9.266 7.190 1.00 63.22 O ATOM 777 CB LEU A 51 -3.490 7.017 6.390 1.00 73.50 C ATOM 778 CG LEU A 51 -1.999 7.111 6.714 1.00 61.13 C ATOM 779 CD1 LEU A 51 -1.194 6.208 5.792 1.00 64.30 C ATOM 780 CD2 LEU A 51 -1.519 8.551 6.605 1.00 51.41 C ATOM 0 H LEU A 51 -4.609 5.254 7.729 1.00 3.31 H new ATOM 0 HA LEU A 51 -3.946 7.991 8.251 1.00 61.23 H new ATOM 0 HB2 LEU A 51 -3.702 6.008 6.037 1.00 73.50 H new ATOM 0 HB3 LEU A 51 -3.706 7.696 5.565 1.00 73.50 H new ATOM 0 HG LEU A 51 -1.848 6.775 7.740 1.00 61.13 H new ATOM 0 HD11 LEU A 51 -0.135 6.288 6.038 1.00 64.30 H new ATOM 0 HD12 LEU A 51 -1.519 5.175 5.920 1.00 64.30 H new ATOM 0 HD13 LEU A 51 -1.350 6.512 4.757 1.00 64.30 H new ATOM 0 HD21 LEU A 51 -0.455 8.599 6.839 1.00 51.41 H new ATOM 0 HD22 LEU A 51 -1.684 8.914 5.590 1.00 51.41 H new ATOM 0 HD23 LEU A 51 -2.073 9.173 7.307 1.00 51.41 H new ATOM 792 N PHE A 52 -6.555 7.313 6.337 1.00 10.21 N ATOM 793 CA PHE A 52 -7.774 7.883 5.776 1.00 54.02 C ATOM 794 C PHE A 52 -8.571 8.624 6.844 1.00 15.15 C ATOM 795 O PHE A 52 -9.324 9.551 6.544 1.00 23.41 O ATOM 796 CB PHE A 52 -8.636 6.782 5.151 1.00 3.31 C ATOM 797 CG PHE A 52 -9.998 7.255 4.729 1.00 31.22 C ATOM 798 CD1 PHE A 52 -10.134 8.273 3.799 1.00 43.51 C ATOM 799 CD2 PHE A 52 -11.140 6.681 5.262 1.00 15.42 C ATOM 800 CE1 PHE A 52 -11.386 8.711 3.409 1.00 35.45 C ATOM 801 CE2 PHE A 52 -12.394 7.113 4.874 1.00 52.15 C ATOM 802 CZ PHE A 52 -12.518 8.130 3.947 1.00 62.42 C ATOM 0 H PHE A 52 -6.443 6.313 6.173 1.00 10.21 H new ATOM 0 HA PHE A 52 -7.489 8.596 5.002 1.00 54.02 H new ATOM 0 HB2 PHE A 52 -8.117 6.373 4.284 1.00 3.31 H new ATOM 0 HB3 PHE A 52 -8.748 5.969 5.868 1.00 3.31 H new ATOM 0 HD1 PHE A 52 -9.252 8.729 3.374 1.00 43.51 H new ATOM 0 HD2 PHE A 52 -11.050 5.887 5.989 1.00 15.42 H new ATOM 0 HE1 PHE A 52 -11.479 9.507 2.685 1.00 35.45 H new ATOM 0 HE2 PHE A 52 -13.277 6.656 5.295 1.00 52.15 H new ATOM 0 HZ PHE A 52 -13.497 8.470 3.644 1.00 62.42 H new ATOM 812 N LYS A 53 -8.403 8.207 8.095 1.00 64.51 N ATOM 813 CA LYS A 53 -9.104 8.831 9.211 1.00 22.31 C ATOM 814 C LYS A 53 -8.913 10.344 9.197 1.00 73.12 C ATOM 815 O LYS A 53 -9.884 11.102 9.174 1.00 11.34 O ATOM 816 CB LYS A 53 -8.606 8.256 10.539 1.00 63.53 C ATOM 817 CG LYS A 53 -9.583 8.440 11.687 1.00 35.52 C ATOM 818 CD LYS A 53 -10.796 7.536 11.535 1.00 20.13 C ATOM 819 CE LYS A 53 -12.004 8.098 12.268 1.00 32.11 C ATOM 820 NZ LYS A 53 -13.193 8.205 11.377 1.00 41.12 N ATOM 0 H LYS A 53 -7.787 7.439 8.361 1.00 64.51 H new ATOM 0 HA LYS A 53 -10.167 8.616 9.105 1.00 22.31 H new ATOM 0 HB2 LYS A 53 -8.404 7.192 10.412 1.00 63.53 H new ATOM 0 HB3 LYS A 53 -7.660 8.731 10.799 1.00 63.53 H new ATOM 0 HG2 LYS A 53 -9.082 8.224 12.631 1.00 35.52 H new ATOM 0 HG3 LYS A 53 -9.906 9.480 11.729 1.00 35.52 H new ATOM 0 HD2 LYS A 53 -11.033 7.418 10.478 1.00 20.13 H new ATOM 0 HD3 LYS A 53 -10.563 6.544 11.922 1.00 20.13 H new ATOM 0 HE2 LYS A 53 -12.243 7.458 13.118 1.00 32.11 H new ATOM 0 HE3 LYS A 53 -11.760 9.082 12.668 1.00 32.11 H new ATOM 0 HZ1 LYS A 53 -14.060 8.191 11.952 1.00 41.12 H new ATOM 0 HZ2 LYS A 53 -13.147 9.095 10.842 1.00 41.12 H new ATOM 0 HZ3 LYS A 53 -13.204 7.403 10.715 1.00 41.12 H new ATOM 834 N LEU A 54 -7.658 10.778 9.208 1.00 72.21 N ATOM 835 CA LEU A 54 -7.341 12.202 9.194 1.00 22.01 C ATOM 836 C LEU A 54 -7.554 12.794 7.805 1.00 53.32 C ATOM 837 O LEU A 54 -7.736 14.002 7.656 1.00 42.44 O ATOM 838 CB LEU A 54 -5.894 12.426 9.640 1.00 72.14 C ATOM 839 CG LEU A 54 -5.701 12.894 11.082 1.00 43.33 C ATOM 840 CD1 LEU A 54 -4.802 11.930 11.840 1.00 14.31 C ATOM 841 CD2 LEU A 54 -5.123 14.302 11.113 1.00 15.34 C ATOM 0 H LEU A 54 -6.843 10.165 9.227 1.00 72.21 H new ATOM 0 HA LEU A 54 -8.012 12.706 9.890 1.00 22.01 H new ATOM 0 HB2 LEU A 54 -5.345 11.494 9.505 1.00 72.14 H new ATOM 0 HB3 LEU A 54 -5.440 13.162 8.976 1.00 72.14 H new ATOM 0 HG LEU A 54 -6.675 12.912 11.572 1.00 43.33 H new ATOM 0 HD11 LEU A 54 -4.676 12.279 12.865 1.00 14.31 H new ATOM 0 HD12 LEU A 54 -5.256 10.939 11.848 1.00 14.31 H new ATOM 0 HD13 LEU A 54 -3.829 11.880 11.352 1.00 14.31 H new ATOM 0 HD21 LEU A 54 -4.992 14.619 12.148 1.00 15.34 H new ATOM 0 HD22 LEU A 54 -4.158 14.310 10.606 1.00 15.34 H new ATOM 0 HD23 LEU A 54 -5.804 14.986 10.607 1.00 15.34 H new ATOM 853 N ALA A 55 -7.534 11.935 6.791 1.00 43.42 N ATOM 854 CA ALA A 55 -7.730 12.373 5.414 1.00 2.33 C ATOM 855 C ALA A 55 -9.023 13.168 5.271 1.00 73.31 C ATOM 856 O ALA A 55 -9.127 14.052 4.421 1.00 33.24 O ATOM 857 CB ALA A 55 -7.737 11.175 4.476 1.00 65.43 C ATOM 0 H ALA A 55 -7.384 10.932 6.897 1.00 43.42 H new ATOM 0 HA ALA A 55 -6.901 13.027 5.144 1.00 2.33 H new ATOM 0 HB1 ALA A 55 -7.884 11.516 3.451 1.00 65.43 H new ATOM 0 HB2 ALA A 55 -6.785 10.649 4.550 1.00 65.43 H new ATOM 0 HB3 ALA A 55 -8.547 10.500 4.754 1.00 65.43 H new ATOM 863 N GLU A 56 -10.006 12.847 6.106 1.00 43.34 N ATOM 864 CA GLU A 56 -11.293 13.533 6.070 1.00 73.54 C ATOM 865 C GLU A 56 -11.195 14.910 6.718 1.00 43.13 C ATOM 866 O GLU A 56 -11.968 15.814 6.400 1.00 10.45 O ATOM 867 CB GLU A 56 -12.360 12.697 6.778 1.00 3.50 C ATOM 868 CG GLU A 56 -12.221 12.688 8.292 1.00 64.31 C ATOM 869 CD GLU A 56 -12.642 11.369 8.910 1.00 74.43 C ATOM 870 OE1 GLU A 56 -13.258 10.551 8.194 1.00 13.24 O ATOM 871 OE2 GLU A 56 -12.358 11.155 10.105 1.00 4.32 O ATOM 0 H GLU A 56 -9.936 12.117 6.815 1.00 43.34 H new ATOM 0 HA GLU A 56 -11.578 13.663 5.026 1.00 73.54 H new ATOM 0 HB2 GLU A 56 -13.345 13.082 6.514 1.00 3.50 H new ATOM 0 HB3 GLU A 56 -12.309 11.672 6.411 1.00 3.50 H new ATOM 0 HG2 GLU A 56 -11.185 12.895 8.559 1.00 64.31 H new ATOM 0 HG3 GLU A 56 -12.825 13.491 8.713 1.00 64.31 H new ATOM 879 N GLU A 57 -10.239 15.063 7.630 1.00 33.55 N ATOM 880 CA GLU A 57 -10.041 16.329 8.324 1.00 43.01 C ATOM 881 C GLU A 57 -9.651 17.432 7.345 1.00 31.21 C ATOM 882 O GLU A 57 -10.197 18.535 7.384 1.00 1.15 O ATOM 883 CB GLU A 57 -8.962 16.183 9.400 1.00 53.33 C ATOM 884 CG GLU A 57 -8.714 17.457 10.189 1.00 4.05 C ATOM 885 CD GLU A 57 -9.945 17.930 10.936 1.00 40.45 C ATOM 886 OE1 GLU A 57 -10.703 17.072 11.434 1.00 3.43 O ATOM 887 OE2 GLU A 57 -10.152 19.159 11.023 1.00 61.22 O ATOM 0 H GLU A 57 -9.590 14.325 7.905 1.00 33.55 H new ATOM 0 HA GLU A 57 -10.983 16.604 8.798 1.00 43.01 H new ATOM 0 HB2 GLU A 57 -9.253 15.390 10.089 1.00 53.33 H new ATOM 0 HB3 GLU A 57 -8.030 15.870 8.928 1.00 53.33 H new ATOM 0 HG2 GLU A 57 -7.905 17.288 10.900 1.00 4.05 H new ATOM 0 HG3 GLU A 57 -8.382 18.242 9.509 1.00 4.05 H new ATOM 895 N ARG A 58 -8.702 17.126 6.466 1.00 60.11 N ATOM 896 CA ARG A 58 -8.236 18.090 5.476 1.00 41.43 C ATOM 897 C ARG A 58 -9.165 18.119 4.266 1.00 55.31 C ATOM 898 O ARG A 58 -9.083 19.017 3.427 1.00 30.23 O ATOM 899 CB ARG A 58 -6.812 17.751 5.032 1.00 51.34 C ATOM 900 CG ARG A 58 -6.607 16.279 4.717 1.00 1.05 C ATOM 901 CD ARG A 58 -5.671 15.621 5.719 1.00 73.10 C ATOM 902 NE ARG A 58 -5.974 16.014 7.092 1.00 3.14 N ATOM 903 CZ ARG A 58 -5.232 16.863 7.794 1.00 42.10 C ATOM 904 NH1 ARG A 58 -4.150 17.406 7.254 1.00 24.31 N ATOM 905 NH2 ARG A 58 -5.574 17.171 9.039 1.00 63.43 N ATOM 0 H ARG A 58 -8.241 16.218 6.419 1.00 60.11 H new ATOM 0 HA ARG A 58 -8.239 19.077 5.938 1.00 41.43 H new ATOM 0 HB2 ARG A 58 -6.566 18.341 4.149 1.00 51.34 H new ATOM 0 HB3 ARG A 58 -6.116 18.046 5.817 1.00 51.34 H new ATOM 0 HG2 ARG A 58 -7.569 15.767 4.725 1.00 1.05 H new ATOM 0 HG3 ARG A 58 -6.198 16.174 3.712 1.00 1.05 H new ATOM 0 HD2 ARG A 58 -5.746 14.537 5.627 1.00 73.10 H new ATOM 0 HD3 ARG A 58 -4.641 15.890 5.484 1.00 73.10 H new ATOM 0 HE ARG A 58 -6.801 15.615 7.536 1.00 3.14 H new ATOM 0 HH11 ARG A 58 -3.885 17.172 6.297 1.00 24.31 H new ATOM 0 HH12 ARG A 58 -3.582 18.058 7.795 1.00 24.31 H new ATOM 0 HH21 ARG A 58 -6.407 16.756 9.457 1.00 63.43 H new ATOM 0 HH22 ARG A 58 -5.004 17.823 9.578 1.00 63.43 H new ATOM 919 N LEU A 59 -10.048 17.130 4.181 1.00 73.13 N ATOM 920 CA LEU A 59 -10.992 17.040 3.073 1.00 71.34 C ATOM 921 C LEU A 59 -12.431 17.045 3.582 1.00 72.41 C ATOM 922 O LEU A 59 -13.124 18.060 3.506 1.00 71.52 O ATOM 923 CB LEU A 59 -10.733 15.773 2.257 1.00 14.21 C ATOM 924 CG LEU A 59 -11.800 15.409 1.224 1.00 31.34 C ATOM 925 CD1 LEU A 59 -11.977 16.536 0.220 1.00 53.04 C ATOM 926 CD2 LEU A 59 -11.436 14.112 0.515 1.00 71.13 C ATOM 0 H LEU A 59 -10.130 16.379 4.866 1.00 73.13 H new ATOM 0 HA LEU A 59 -10.848 17.912 2.434 1.00 71.34 H new ATOM 0 HB2 LEU A 59 -9.780 15.886 1.741 1.00 14.21 H new ATOM 0 HB3 LEU A 59 -10.624 14.936 2.947 1.00 14.21 H new ATOM 0 HG LEU A 59 -12.747 15.262 1.744 1.00 31.34 H new ATOM 0 HD11 LEU A 59 -12.740 16.259 -0.507 1.00 53.04 H new ATOM 0 HD12 LEU A 59 -12.284 17.443 0.741 1.00 53.04 H new ATOM 0 HD13 LEU A 59 -11.033 16.716 -0.295 1.00 53.04 H new ATOM 0 HD21 LEU A 59 -12.207 13.869 -0.216 1.00 71.13 H new ATOM 0 HD22 LEU A 59 -10.479 14.231 0.008 1.00 71.13 H new ATOM 0 HD23 LEU A 59 -11.362 13.306 1.246 1.00 71.13 H new ATOM 938 N LYS A 60 -12.873 15.905 4.101 1.00 45.51 N ATOM 939 CA LYS A 60 -14.227 15.778 4.626 1.00 52.34 C ATOM 940 C LYS A 60 -15.254 15.806 3.498 1.00 21.50 C ATOM 941 O LYS A 60 -14.896 15.822 2.320 1.00 22.54 O ATOM 942 CB LYS A 60 -14.518 16.904 5.621 1.00 41.41 C ATOM 943 CG LYS A 60 -14.696 16.422 7.050 1.00 23.24 C ATOM 944 CD LYS A 60 -14.494 17.550 8.049 1.00 12.42 C ATOM 945 CE LYS A 60 -15.644 18.544 8.005 1.00 60.10 C ATOM 946 NZ LYS A 60 -16.883 17.987 8.613 1.00 15.43 N ATOM 0 H LYS A 60 -12.313 15.055 4.169 1.00 45.51 H new ATOM 0 HA LYS A 60 -14.302 14.819 5.138 1.00 52.34 H new ATOM 0 HB2 LYS A 60 -13.702 17.626 5.589 1.00 41.41 H new ATOM 0 HB3 LYS A 60 -15.421 17.429 5.309 1.00 41.41 H new ATOM 0 HG2 LYS A 60 -15.694 16.002 7.171 1.00 23.24 H new ATOM 0 HG3 LYS A 60 -13.986 15.621 7.256 1.00 23.24 H new ATOM 0 HD2 LYS A 60 -14.407 17.137 9.054 1.00 12.42 H new ATOM 0 HD3 LYS A 60 -13.558 18.065 7.834 1.00 12.42 H new ATOM 0 HE2 LYS A 60 -15.358 19.454 8.533 1.00 60.10 H new ATOM 0 HE3 LYS A 60 -15.842 18.825 6.970 1.00 60.10 H new ATOM 0 HZ1 LYS A 60 -17.595 18.740 8.702 1.00 15.43 H new ATOM 0 HZ2 LYS A 60 -17.256 17.228 8.008 1.00 15.43 H new ATOM 0 HZ3 LYS A 60 -16.665 17.603 9.555 1.00 15.43 H new ATOM 960 N LYS A 61 -16.530 15.812 3.864 1.00 40.44 N ATOM 961 CA LYS A 61 -17.608 15.841 2.884 1.00 13.52 C ATOM 962 C LYS A 61 -17.641 14.549 2.074 1.00 31.50 C ATOM 963 O LYS A 61 -18.173 14.514 0.963 1.00 50.42 O ATOM 964 CB LYS A 61 -17.442 17.040 1.947 1.00 11.44 C ATOM 965 CG LYS A 61 -18.701 17.878 1.804 1.00 34.51 C ATOM 966 CD LYS A 61 -18.724 19.024 2.801 1.00 51.31 C ATOM 967 CE LYS A 61 -20.146 19.481 3.091 1.00 61.01 C ATOM 968 NZ LYS A 61 -20.266 20.094 4.442 1.00 43.34 N ATOM 0 H LYS A 61 -16.844 15.797 4.834 1.00 40.44 H new ATOM 0 HA LYS A 61 -18.552 15.937 3.421 1.00 13.52 H new ATOM 0 HB2 LYS A 61 -16.635 17.672 2.318 1.00 11.44 H new ATOM 0 HB3 LYS A 61 -17.140 16.682 0.963 1.00 11.44 H new ATOM 0 HG2 LYS A 61 -18.762 18.275 0.791 1.00 34.51 H new ATOM 0 HG3 LYS A 61 -19.578 17.248 1.953 1.00 34.51 H new ATOM 0 HD2 LYS A 61 -18.245 18.711 3.729 1.00 51.31 H new ATOM 0 HD3 LYS A 61 -18.144 19.860 2.410 1.00 51.31 H new ATOM 0 HE2 LYS A 61 -20.457 20.203 2.336 1.00 61.01 H new ATOM 0 HE3 LYS A 61 -20.823 18.630 3.017 1.00 61.01 H new ATOM 0 HZ1 LYS A 61 -21.249 20.392 4.602 1.00 43.34 H new ATOM 0 HZ2 LYS A 61 -19.994 19.397 5.165 1.00 43.34 H new ATOM 0 HZ3 LYS A 61 -19.639 20.921 4.505 1.00 43.34 H new ATOM 982 N LEU A 62 -17.070 13.489 2.635 1.00 30.20 N ATOM 983 CA LEU A 62 -17.034 12.194 1.964 1.00 43.50 C ATOM 984 C LEU A 62 -18.427 11.786 1.494 1.00 21.33 C ATOM 985 O LEU A 62 -19.336 11.690 2.317 1.00 45.02 O ATOM 986 CB LEU A 62 -16.467 11.128 2.903 1.00 32.44 C ATOM 987 CG LEU A 62 -15.110 11.442 3.533 1.00 11.52 C ATOM 988 CD1 LEU A 62 -14.299 12.355 2.628 1.00 34.01 C ATOM 989 CD2 LEU A 62 -15.294 12.074 4.905 1.00 43.12 C ATOM 0 H LEU A 62 -16.625 13.501 3.553 1.00 30.20 H new ATOM 0 HA LEU A 62 -16.387 12.281 1.091 1.00 43.50 H new ATOM 0 HB2 LEU A 62 -17.186 10.958 3.704 1.00 32.44 H new ATOM 0 HB3 LEU A 62 -16.380 10.193 2.349 1.00 32.44 H new ATOM 0 HG LEU A 62 -14.562 10.508 3.655 1.00 11.52 H new ATOM 0 HD11 LEU A 62 -13.337 12.567 3.093 1.00 34.01 H new ATOM 0 HD12 LEU A 62 -14.138 11.865 1.668 1.00 34.01 H new ATOM 0 HD13 LEU A 62 -14.841 13.288 2.473 1.00 34.01 H new ATOM 0 HD21 LEU A 62 -14.318 12.291 5.339 1.00 43.12 H new ATOM 0 HD22 LEU A 62 -15.861 12.999 4.806 1.00 43.12 H new ATOM 0 HD23 LEU A 62 -15.835 11.385 5.554 1.00 43.12 H new TER 1001 LEU A 62 ATOM 1002 N MET B 1 12.723 -21.430 -14.881 1.00 1.22 N ATOM 1003 CA MET B 1 11.546 -22.289 -14.848 1.00 51.30 C ATOM 1004 C MET B 1 10.568 -21.829 -13.771 1.00 4.43 C ATOM 1005 O MET B 1 10.336 -22.533 -12.787 1.00 42.25 O ATOM 1006 CB MET B 1 11.955 -23.742 -14.595 1.00 42.22 C ATOM 1007 CG MET B 1 10.826 -24.737 -14.810 1.00 54.21 C ATOM 1008 SD MET B 1 10.792 -26.030 -13.555 1.00 12.23 S ATOM 1009 CE MET B 1 12.328 -26.882 -13.905 1.00 33.20 C ATOM 0 H1 MET B 1 13.374 -21.762 -15.621 1.00 1.22 H new ATOM 0 H2 MET B 1 12.434 -20.453 -15.087 1.00 1.22 H new ATOM 0 H3 MET B 1 13.202 -21.462 -13.958 1.00 1.22 H new ATOM 0 HA MET B 1 11.051 -22.222 -15.817 1.00 51.30 H new ATOM 0 HB2 MET B 1 12.784 -23.998 -15.255 1.00 42.22 H new ATOM 0 HB3 MET B 1 12.321 -23.835 -13.572 1.00 42.22 H new ATOM 0 HG2 MET B 1 9.874 -24.207 -14.806 1.00 54.21 H new ATOM 0 HG3 MET B 1 10.932 -25.194 -15.794 1.00 54.21 H new ATOM 0 HE1 MET B 1 12.434 -27.733 -13.232 1.00 33.20 H new ATOM 0 HE2 MET B 1 12.322 -27.234 -14.937 1.00 33.20 H new ATOM 0 HE3 MET B 1 13.165 -26.199 -13.759 1.00 33.20 H new ATOM 1019 N LYS B 2 9.997 -20.645 -13.962 1.00 23.12 N ATOM 1020 CA LYS B 2 9.043 -20.091 -13.008 1.00 20.32 C ATOM 1021 C LYS B 2 8.210 -18.987 -13.651 1.00 13.41 C ATOM 1022 O LYS B 2 8.642 -18.345 -14.607 1.00 24.44 O ATOM 1023 CB LYS B 2 9.777 -19.543 -11.783 1.00 3.35 C ATOM 1024 CG LYS B 2 10.641 -18.331 -12.082 1.00 23.51 C ATOM 1025 CD LYS B 2 12.091 -18.569 -11.690 1.00 43.44 C ATOM 1026 CE LYS B 2 13.046 -17.831 -12.615 1.00 64.33 C ATOM 1027 NZ LYS B 2 12.971 -16.355 -12.428 1.00 71.42 N ATOM 0 H LYS B 2 10.178 -20.049 -14.770 1.00 23.12 H new ATOM 0 HA LYS B 2 8.373 -20.892 -12.695 1.00 20.32 H new ATOM 0 HB2 LYS B 2 9.045 -19.277 -11.020 1.00 3.35 H new ATOM 0 HB3 LYS B 2 10.403 -20.330 -11.363 1.00 3.35 H new ATOM 0 HG2 LYS B 2 10.584 -18.096 -13.145 1.00 23.51 H new ATOM 0 HG3 LYS B 2 10.255 -17.466 -11.543 1.00 23.51 H new ATOM 0 HD2 LYS B 2 12.250 -18.240 -10.663 1.00 43.44 H new ATOM 0 HD3 LYS B 2 12.307 -19.637 -11.720 1.00 43.44 H new ATOM 0 HE2 LYS B 2 14.065 -18.169 -12.429 1.00 64.33 H new ATOM 0 HE3 LYS B 2 12.812 -18.078 -13.651 1.00 64.33 H new ATOM 0 HZ1 LYS B 2 13.828 -15.912 -12.816 1.00 71.42 H new ATOM 0 HZ2 LYS B 2 12.135 -15.984 -12.923 1.00 71.42 H new ATOM 0 HZ3 LYS B 2 12.898 -16.137 -11.414 1.00 71.42 H new ATOM 1041 N LYS B 3 7.012 -18.770 -13.117 1.00 33.41 N ATOM 1042 CA LYS B 3 6.118 -17.742 -13.636 1.00 73.24 C ATOM 1043 C LYS B 3 4.880 -17.602 -12.756 1.00 33.34 C ATOM 1044 O LYS B 3 4.409 -16.494 -12.501 1.00 4.13 O ATOM 1045 CB LYS B 3 5.702 -18.075 -15.071 1.00 11.34 C ATOM 1046 CG LYS B 3 6.341 -17.176 -16.115 1.00 52.44 C ATOM 1047 CD LYS B 3 6.516 -17.896 -17.440 1.00 51.05 C ATOM 1048 CE LYS B 3 5.239 -17.863 -18.266 1.00 31.21 C ATOM 1049 NZ LYS B 3 5.402 -18.569 -19.568 1.00 62.03 N ATOM 0 H LYS B 3 6.638 -19.293 -12.325 1.00 33.41 H new ATOM 0 HA LYS B 3 6.655 -16.793 -13.631 1.00 73.24 H new ATOM 0 HB2 LYS B 3 5.966 -19.111 -15.285 1.00 11.34 H new ATOM 0 HB3 LYS B 3 4.618 -17.999 -15.153 1.00 11.34 H new ATOM 0 HG2 LYS B 3 5.723 -16.290 -16.260 1.00 52.44 H new ATOM 0 HG3 LYS B 3 7.311 -16.833 -15.756 1.00 52.44 H new ATOM 0 HD2 LYS B 3 7.326 -17.433 -18.003 1.00 51.05 H new ATOM 0 HD3 LYS B 3 6.806 -18.931 -17.257 1.00 51.05 H new ATOM 0 HE2 LYS B 3 4.429 -18.325 -17.701 1.00 31.21 H new ATOM 0 HE3 LYS B 3 4.951 -16.828 -18.448 1.00 31.21 H new ATOM 0 HZ1 LYS B 3 4.510 -18.524 -20.101 1.00 62.03 H new ATOM 0 HZ2 LYS B 3 6.158 -18.113 -20.118 1.00 62.03 H new ATOM 0 HZ3 LYS B 3 5.652 -19.563 -19.395 1.00 62.03 H new ATOM 1063 N LEU B 4 4.358 -18.733 -12.294 1.00 32.34 N ATOM 1064 CA LEU B 4 3.175 -18.737 -11.440 1.00 25.24 C ATOM 1065 C LEU B 4 3.447 -18.003 -10.130 1.00 20.22 C ATOM 1066 O LEU B 4 2.642 -17.182 -9.689 1.00 21.15 O ATOM 1067 CB LEU B 4 2.735 -20.173 -11.151 1.00 33.24 C ATOM 1068 CG LEU B 4 1.715 -20.771 -12.122 1.00 1.21 C ATOM 1069 CD1 LEU B 4 0.403 -20.005 -12.055 1.00 4.24 C ATOM 1070 CD2 LEU B 4 2.265 -20.768 -13.541 1.00 42.12 C ATOM 0 H LEU B 4 4.735 -19.659 -12.496 1.00 32.34 H new ATOM 0 HA LEU B 4 2.375 -18.218 -11.967 1.00 25.24 H new ATOM 0 HB2 LEU B 4 3.620 -20.809 -11.148 1.00 33.24 H new ATOM 0 HB3 LEU B 4 2.314 -20.208 -10.146 1.00 33.24 H new ATOM 0 HG LEU B 4 1.525 -21.804 -11.830 1.00 1.21 H new ATOM 0 HD11 LEU B 4 -0.311 -20.444 -12.752 1.00 4.24 H new ATOM 0 HD12 LEU B 4 0.002 -20.059 -11.043 1.00 4.24 H new ATOM 0 HD13 LEU B 4 0.576 -18.962 -12.322 1.00 4.24 H new ATOM 0 HD21 LEU B 4 1.526 -21.197 -14.218 1.00 42.12 H new ATOM 0 HD22 LEU B 4 2.484 -19.744 -13.844 1.00 42.12 H new ATOM 0 HD23 LEU B 4 3.179 -21.361 -13.578 1.00 42.12 H new ATOM 1082 N ARG B 5 4.586 -18.304 -9.515 1.00 50.41 N ATOM 1083 CA ARG B 5 4.963 -17.672 -8.256 1.00 21.40 C ATOM 1084 C ARG B 5 5.344 -16.211 -8.475 1.00 24.43 C ATOM 1085 O ARG B 5 4.964 -15.337 -7.696 1.00 31.14 O ATOM 1086 CB ARG B 5 6.131 -18.424 -7.614 1.00 31.03 C ATOM 1087 CG ARG B 5 7.341 -18.562 -8.523 1.00 41.32 C ATOM 1088 CD ARG B 5 7.994 -19.927 -8.380 1.00 51.50 C ATOM 1089 NE ARG B 5 7.523 -20.868 -9.393 1.00 61.44 N ATOM 1090 CZ ARG B 5 7.682 -22.183 -9.305 1.00 12.01 C ATOM 1091 NH1 ARG B 5 8.294 -22.712 -8.254 1.00 74.52 N ATOM 1092 NH2 ARG B 5 7.226 -22.974 -10.268 1.00 34.13 N ATOM 0 H ARG B 5 5.263 -18.981 -9.867 1.00 50.41 H new ATOM 0 HA ARG B 5 4.103 -17.709 -7.587 1.00 21.40 H new ATOM 0 HB2 ARG B 5 6.429 -17.905 -6.703 1.00 31.03 H new ATOM 0 HB3 ARG B 5 5.794 -19.418 -7.319 1.00 31.03 H new ATOM 0 HG2 ARG B 5 7.038 -18.409 -9.559 1.00 41.32 H new ATOM 0 HG3 ARG B 5 8.066 -17.784 -8.285 1.00 41.32 H new ATOM 0 HD2 ARG B 5 9.076 -19.821 -8.459 1.00 51.50 H new ATOM 0 HD3 ARG B 5 7.784 -20.327 -7.388 1.00 51.50 H new ATOM 0 HE ARG B 5 7.046 -20.494 -10.213 1.00 61.44 H new ATOM 0 HH11 ARG B 5 8.644 -22.108 -7.510 1.00 74.52 H new ATOM 0 HH12 ARG B 5 8.415 -23.723 -8.189 1.00 74.52 H new ATOM 0 HH21 ARG B 5 6.753 -22.572 -11.077 1.00 34.13 H new ATOM 0 HH22 ARG B 5 7.349 -23.984 -10.199 1.00 34.13 H new ATOM 1106 N GLU B 6 6.099 -15.953 -9.539 1.00 15.20 N ATOM 1107 CA GLU B 6 6.532 -14.598 -9.858 1.00 12.02 C ATOM 1108 C GLU B 6 5.340 -13.649 -9.931 1.00 50.13 C ATOM 1109 O GLU B 6 5.464 -12.457 -9.654 1.00 25.23 O ATOM 1110 CB GLU B 6 7.294 -14.581 -11.185 1.00 12.15 C ATOM 1111 CG GLU B 6 8.040 -13.284 -11.442 1.00 63.25 C ATOM 1112 CD GLU B 6 7.702 -12.673 -12.788 1.00 70.15 C ATOM 1113 OE1 GLU B 6 8.530 -12.789 -13.717 1.00 51.43 O ATOM 1114 OE2 GLU B 6 6.612 -12.077 -12.912 1.00 54.04 O ATOM 0 H GLU B 6 6.423 -16.665 -10.194 1.00 15.20 H new ATOM 0 HA GLU B 6 7.196 -14.259 -9.062 1.00 12.02 H new ATOM 0 HB2 GLU B 6 8.005 -15.407 -11.197 1.00 12.15 H new ATOM 0 HB3 GLU B 6 6.591 -14.754 -12.000 1.00 12.15 H new ATOM 0 HG2 GLU B 6 7.802 -12.570 -10.653 1.00 63.25 H new ATOM 0 HG3 GLU B 6 9.113 -13.470 -11.391 1.00 63.25 H new ATOM 1122 N GLU B 7 4.184 -14.187 -10.308 1.00 20.24 N ATOM 1123 CA GLU B 7 2.970 -13.388 -10.419 1.00 42.30 C ATOM 1124 C GLU B 7 2.561 -12.826 -9.059 1.00 33.53 C ATOM 1125 O GLU B 7 2.385 -11.619 -8.904 1.00 40.34 O ATOM 1126 CB GLU B 7 1.830 -14.230 -10.998 1.00 61.22 C ATOM 1127 CG GLU B 7 2.031 -14.605 -12.457 1.00 40.21 C ATOM 1128 CD GLU B 7 1.224 -13.735 -13.400 1.00 72.02 C ATOM 1129 OE1 GLU B 7 -0.003 -13.944 -13.497 1.00 1.52 O ATOM 1130 OE2 GLU B 7 1.819 -12.844 -14.042 1.00 1.31 O ATOM 0 H GLU B 7 4.063 -15.173 -10.542 1.00 20.24 H new ATOM 0 HA GLU B 7 3.175 -12.554 -11.091 1.00 42.30 H new ATOM 0 HB2 GLU B 7 1.727 -15.141 -10.408 1.00 61.22 H new ATOM 0 HB3 GLU B 7 0.895 -13.678 -10.899 1.00 61.22 H new ATOM 0 HG2 GLU B 7 3.089 -14.521 -12.707 1.00 40.21 H new ATOM 0 HG3 GLU B 7 1.751 -15.648 -12.602 1.00 40.21 H new ATOM 1138 N ALA B 8 2.414 -13.712 -8.080 1.00 55.15 N ATOM 1139 CA ALA B 8 2.028 -13.306 -6.734 1.00 70.54 C ATOM 1140 C ALA B 8 2.998 -12.269 -6.175 1.00 12.24 C ATOM 1141 O ALA B 8 2.631 -11.458 -5.326 1.00 2.01 O ATOM 1142 CB ALA B 8 1.960 -14.517 -5.817 1.00 11.41 C ATOM 0 H ALA B 8 2.556 -14.716 -8.193 1.00 55.15 H new ATOM 0 HA ALA B 8 1.040 -12.849 -6.787 1.00 70.54 H new ATOM 0 HB1 ALA B 8 1.671 -14.199 -4.815 1.00 11.41 H new ATOM 0 HB2 ALA B 8 1.223 -15.223 -6.201 1.00 11.41 H new ATOM 0 HB3 ALA B 8 2.937 -14.998 -5.777 1.00 11.41 H new ATOM 1148 N ALA B 9 4.236 -12.304 -6.657 1.00 54.32 N ATOM 1149 CA ALA B 9 5.257 -11.367 -6.206 1.00 21.23 C ATOM 1150 C ALA B 9 4.989 -9.964 -6.739 1.00 73.20 C ATOM 1151 O ALA B 9 5.193 -8.972 -6.038 1.00 15.31 O ATOM 1152 CB ALA B 9 6.637 -11.843 -6.636 1.00 20.11 C ATOM 0 H ALA B 9 4.556 -12.971 -7.359 1.00 54.32 H new ATOM 0 HA ALA B 9 5.222 -11.326 -5.117 1.00 21.23 H new ATOM 0 HB1 ALA B 9 7.390 -11.134 -6.292 1.00 20.11 H new ATOM 0 HB2 ALA B 9 6.836 -12.822 -6.201 1.00 20.11 H new ATOM 0 HB3 ALA B 9 6.675 -11.914 -7.723 1.00 20.11 H new ATOM 1158 N LYS B 10 4.532 -9.887 -7.985 1.00 24.00 N ATOM 1159 CA LYS B 10 4.236 -8.605 -8.613 1.00 72.05 C ATOM 1160 C LYS B 10 3.240 -7.806 -7.777 1.00 20.41 C ATOM 1161 O LYS B 10 3.306 -6.578 -7.721 1.00 60.35 O ATOM 1162 CB LYS B 10 3.677 -8.821 -10.021 1.00 30.12 C ATOM 1163 CG LYS B 10 4.504 -9.779 -10.863 1.00 42.11 C ATOM 1164 CD LYS B 10 4.746 -9.228 -12.259 1.00 4.34 C ATOM 1165 CE LYS B 10 3.643 -9.642 -13.220 1.00 40.13 C ATOM 1166 NZ LYS B 10 3.520 -8.695 -14.363 1.00 53.51 N ATOM 0 H LYS B 10 4.359 -10.698 -8.579 1.00 24.00 H new ATOM 0 HA LYS B 10 5.165 -8.039 -8.680 1.00 72.05 H new ATOM 0 HB2 LYS B 10 2.659 -9.204 -9.944 1.00 30.12 H new ATOM 0 HB3 LYS B 10 3.618 -7.860 -10.531 1.00 30.12 H new ATOM 0 HG2 LYS B 10 5.460 -9.963 -10.373 1.00 42.11 H new ATOM 0 HG3 LYS B 10 3.992 -10.738 -10.933 1.00 42.11 H new ATOM 0 HD2 LYS B 10 4.804 -8.140 -12.217 1.00 4.34 H new ATOM 0 HD3 LYS B 10 5.707 -9.585 -12.631 1.00 4.34 H new ATOM 0 HE2 LYS B 10 3.848 -10.644 -13.598 1.00 40.13 H new ATOM 0 HE3 LYS B 10 2.695 -9.691 -12.685 1.00 40.13 H new ATOM 0 HZ1 LYS B 10 2.758 -9.012 -14.996 1.00 53.51 H new ATOM 0 HZ2 LYS B 10 3.300 -7.744 -14.004 1.00 53.51 H new ATOM 0 HZ3 LYS B 10 4.417 -8.667 -14.889 1.00 53.51 H new ATOM 1180 N LEU B 11 2.320 -8.512 -7.128 1.00 64.12 N ATOM 1181 CA LEU B 11 1.312 -7.868 -6.294 1.00 41.42 C ATOM 1182 C LEU B 11 1.959 -6.916 -5.293 1.00 11.24 C ATOM 1183 O LEU B 11 1.476 -5.805 -5.075 1.00 72.23 O ATOM 1184 CB LEU B 11 0.488 -8.922 -5.552 1.00 61.24 C ATOM 1185 CG LEU B 11 -0.139 -10.015 -6.417 1.00 34.55 C ATOM 1186 CD1 LEU B 11 -1.035 -10.913 -5.578 1.00 72.55 C ATOM 1187 CD2 LEU B 11 -0.923 -9.401 -7.568 1.00 13.10 C ATOM 0 H LEU B 11 2.252 -9.529 -7.163 1.00 64.12 H new ATOM 0 HA LEU B 11 0.654 -7.290 -6.943 1.00 41.42 H new ATOM 0 HB2 LEU B 11 1.128 -9.397 -4.809 1.00 61.24 H new ATOM 0 HB3 LEU B 11 -0.309 -8.415 -5.009 1.00 61.24 H new ATOM 0 HG LEU B 11 0.662 -10.625 -6.834 1.00 34.55 H new ATOM 0 HD11 LEU B 11 -1.472 -11.685 -6.211 1.00 72.55 H new ATOM 0 HD12 LEU B 11 -0.445 -11.381 -4.790 1.00 72.55 H new ATOM 0 HD13 LEU B 11 -1.831 -10.317 -5.130 1.00 72.55 H new ATOM 0 HD21 LEU B 11 -1.362 -10.194 -8.173 1.00 13.10 H new ATOM 0 HD22 LEU B 11 -1.715 -8.766 -7.171 1.00 13.10 H new ATOM 0 HD23 LEU B 11 -0.254 -8.802 -8.186 1.00 13.10 H new ATOM 1199 N PHE B 12 3.057 -7.358 -4.688 1.00 51.12 N ATOM 1200 CA PHE B 12 3.773 -6.545 -3.712 1.00 50.53 C ATOM 1201 C PHE B 12 4.548 -5.425 -4.400 1.00 73.00 C ATOM 1202 O PHE B 12 4.792 -4.373 -3.811 1.00 1.31 O ATOM 1203 CB PHE B 12 4.729 -7.416 -2.894 1.00 42.34 C ATOM 1204 CG PHE B 12 4.035 -8.486 -2.100 1.00 63.43 C ATOM 1205 CD1 PHE B 12 2.833 -8.224 -1.463 1.00 42.54 C ATOM 1206 CD2 PHE B 12 4.586 -9.751 -1.990 1.00 35.14 C ATOM 1207 CE1 PHE B 12 2.191 -9.206 -0.732 1.00 24.45 C ATOM 1208 CE2 PHE B 12 3.949 -10.738 -1.261 1.00 22.10 C ATOM 1209 CZ PHE B 12 2.751 -10.465 -0.629 1.00 61.42 C ATOM 0 H PHE B 12 3.470 -8.275 -4.857 1.00 51.12 H new ATOM 0 HA PHE B 12 3.039 -6.096 -3.042 1.00 50.53 H new ATOM 0 HB2 PHE B 12 5.448 -7.883 -3.567 1.00 42.34 H new ATOM 0 HB3 PHE B 12 5.295 -6.780 -2.214 1.00 42.34 H new ATOM 0 HD1 PHE B 12 2.392 -7.241 -1.538 1.00 42.54 H new ATOM 0 HD2 PHE B 12 5.524 -9.969 -2.479 1.00 35.14 H new ATOM 0 HE1 PHE B 12 1.253 -8.990 -0.242 1.00 24.45 H new ATOM 0 HE2 PHE B 12 4.388 -11.722 -1.186 1.00 22.10 H new ATOM 0 HZ PHE B 12 2.254 -11.234 -0.056 1.00 61.42 H new ATOM 1219 N GLU B 13 4.932 -5.662 -5.651 1.00 5.10 N ATOM 1220 CA GLU B 13 5.682 -4.674 -6.418 1.00 54.42 C ATOM 1221 C GLU B 13 4.955 -3.333 -6.434 1.00 43.43 C ATOM 1222 O GLU B 13 5.585 -2.276 -6.466 1.00 54.14 O ATOM 1223 CB GLU B 13 5.897 -5.166 -7.851 1.00 34.03 C ATOM 1224 CG GLU B 13 7.300 -4.913 -8.377 1.00 62.42 C ATOM 1225 CD GLU B 13 7.418 -5.162 -9.868 1.00 41.01 C ATOM 1226 OE1 GLU B 13 8.378 -5.847 -10.280 1.00 43.35 O ATOM 1227 OE2 GLU B 13 6.552 -4.673 -10.622 1.00 12.10 O ATOM 0 H GLU B 13 4.736 -6.528 -6.154 1.00 5.10 H new ATOM 0 HA GLU B 13 6.651 -4.537 -5.938 1.00 54.42 H new ATOM 0 HB2 GLU B 13 5.689 -6.235 -7.894 1.00 34.03 H new ATOM 0 HB3 GLU B 13 5.178 -4.675 -8.507 1.00 34.03 H new ATOM 0 HG2 GLU B 13 7.585 -3.883 -8.161 1.00 62.42 H new ATOM 0 HG3 GLU B 13 8.004 -5.556 -7.848 1.00 62.42 H new ATOM 1235 N GLU B 14 3.627 -3.384 -6.410 1.00 73.41 N ATOM 1236 CA GLU B 14 2.815 -2.172 -6.423 1.00 31.13 C ATOM 1237 C GLU B 14 2.843 -1.485 -5.061 1.00 63.54 C ATOM 1238 O GLU B 14 2.711 -0.264 -4.969 1.00 22.21 O ATOM 1239 CB GLU B 14 1.373 -2.503 -6.811 1.00 13.40 C ATOM 1240 CG GLU B 14 1.259 -3.383 -8.044 1.00 41.03 C ATOM 1241 CD GLU B 14 -0.037 -3.164 -8.800 1.00 52.34 C ATOM 1242 OE1 GLU B 14 -0.051 -2.319 -9.719 1.00 51.22 O ATOM 1243 OE2 GLU B 14 -1.037 -3.837 -8.472 1.00 20.35 O ATOM 0 H GLU B 14 3.090 -4.251 -6.381 1.00 73.41 H new ATOM 0 HA GLU B 14 3.235 -1.491 -7.163 1.00 31.13 H new ATOM 0 HB2 GLU B 14 0.886 -3.002 -5.973 1.00 13.40 H new ATOM 0 HB3 GLU B 14 0.831 -1.574 -6.987 1.00 13.40 H new ATOM 0 HG2 GLU B 14 2.100 -3.183 -8.707 1.00 41.03 H new ATOM 0 HG3 GLU B 14 1.329 -4.429 -7.747 1.00 41.03 H new ATOM 1251 N TRP B 15 3.016 -2.277 -4.009 1.00 65.34 N ATOM 1252 CA TRP B 15 3.061 -1.744 -2.652 1.00 20.23 C ATOM 1253 C TRP B 15 4.228 -0.778 -2.485 1.00 45.34 C ATOM 1254 O TRP B 15 4.051 0.353 -2.029 1.00 61.42 O ATOM 1255 CB TRP B 15 3.178 -2.883 -1.639 1.00 0.24 C ATOM 1256 CG TRP B 15 2.878 -2.461 -0.233 1.00 52.20 C ATOM 1257 CD1 TRP B 15 3.397 -1.385 0.428 1.00 65.34 C ATOM 1258 CD2 TRP B 15 1.991 -3.109 0.686 1.00 45.14 C ATOM 1259 NE1 TRP B 15 2.887 -1.324 1.702 1.00 55.55 N ATOM 1260 CE2 TRP B 15 2.021 -2.369 1.885 1.00 32.22 C ATOM 1261 CE3 TRP B 15 1.174 -4.239 0.612 1.00 55.41 C ATOM 1262 CZ2 TRP B 15 1.265 -2.727 2.999 1.00 60.31 C ATOM 1263 CZ3 TRP B 15 0.425 -4.593 1.718 1.00 54.20 C ATOM 1264 CH2 TRP B 15 0.473 -3.839 2.898 1.00 63.13 C ATOM 0 H TRP B 15 3.127 -3.289 -4.069 1.00 65.34 H new ATOM 0 HA TRP B 15 2.134 -1.200 -2.471 1.00 20.23 H new ATOM 0 HB2 TRP B 15 2.496 -3.684 -1.924 1.00 0.24 H new ATOM 0 HB3 TRP B 15 4.187 -3.294 -1.680 1.00 0.24 H new ATOM 0 HD1 TRP B 15 4.105 -0.684 0.010 1.00 65.34 H new ATOM 0 HE1 TRP B 15 3.116 -0.615 2.399 1.00 55.55 H new ATOM 0 HE3 TRP B 15 1.128 -4.826 -0.293 1.00 55.41 H new ATOM 0 HZ2 TRP B 15 1.302 -2.148 3.910 1.00 60.31 H new ATOM 0 HZ3 TRP B 15 -0.209 -5.466 1.672 1.00 54.20 H new ATOM 0 HH2 TRP B 15 -0.126 -4.141 3.744 1.00 63.13 H new ATOM 1275 N LYS B 16 5.422 -1.227 -2.856 1.00 72.24 N ATOM 1276 CA LYS B 16 6.619 -0.401 -2.750 1.00 13.42 C ATOM 1277 C LYS B 16 6.659 0.644 -3.860 1.00 4.03 C ATOM 1278 O LYS B 16 7.165 1.750 -3.666 1.00 62.45 O ATOM 1279 CB LYS B 16 7.873 -1.276 -2.811 1.00 64.05 C ATOM 1280 CG LYS B 16 8.182 -1.799 -4.203 1.00 72.33 C ATOM 1281 CD LYS B 16 9.401 -2.706 -4.201 1.00 43.00 C ATOM 1282 CE LYS B 16 10.655 -1.955 -4.624 1.00 54.10 C ATOM 1283 NZ LYS B 16 10.804 -1.916 -6.105 1.00 1.20 N ATOM 0 H LYS B 16 5.587 -2.160 -3.233 1.00 72.24 H new ATOM 0 HA LYS B 16 6.591 0.116 -1.791 1.00 13.42 H new ATOM 0 HB2 LYS B 16 8.726 -0.700 -2.451 1.00 64.05 H new ATOM 0 HB3 LYS B 16 7.750 -2.121 -2.134 1.00 64.05 H new ATOM 0 HG2 LYS B 16 7.321 -2.346 -4.586 1.00 72.33 H new ATOM 0 HG3 LYS B 16 8.353 -0.960 -4.878 1.00 72.33 H new ATOM 0 HD2 LYS B 16 9.544 -3.123 -3.204 1.00 43.00 H new ATOM 0 HD3 LYS B 16 9.233 -3.545 -4.876 1.00 43.00 H new ATOM 0 HE2 LYS B 16 10.617 -0.937 -4.236 1.00 54.10 H new ATOM 0 HE3 LYS B 16 11.530 -2.432 -4.183 1.00 54.10 H new ATOM 0 HZ1 LYS B 16 11.670 -1.396 -6.353 1.00 1.20 H new ATOM 0 HZ2 LYS B 16 10.865 -2.887 -6.473 1.00 1.20 H new ATOM 0 HZ3 LYS B 16 9.981 -1.438 -6.524 1.00 1.20 H new ATOM 1297 N LYS B 17 6.123 0.288 -5.021 1.00 63.32 N ATOM 1298 CA LYS B 17 6.095 1.196 -6.162 1.00 25.11 C ATOM 1299 C LYS B 17 5.345 2.479 -5.818 1.00 24.41 C ATOM 1300 O LYS B 17 5.918 3.570 -5.839 1.00 23.31 O ATOM 1301 CB LYS B 17 5.438 0.517 -7.365 1.00 15.41 C ATOM 1302 CG LYS B 17 6.425 -0.180 -8.285 1.00 23.13 C ATOM 1303 CD LYS B 17 6.635 0.600 -9.572 1.00 21.35 C ATOM 1304 CE LYS B 17 7.098 -0.305 -10.704 1.00 51.23 C ATOM 1305 NZ LYS B 17 6.034 -0.503 -11.726 1.00 71.41 N ATOM 0 H LYS B 17 5.701 -0.624 -5.198 1.00 63.32 H new ATOM 0 HA LYS B 17 7.124 1.453 -6.415 1.00 25.11 H new ATOM 0 HB2 LYS B 17 4.711 -0.212 -7.008 1.00 15.41 H new ATOM 0 HB3 LYS B 17 4.887 1.264 -7.936 1.00 15.41 H new ATOM 0 HG2 LYS B 17 7.379 -0.301 -7.772 1.00 23.13 H new ATOM 0 HG3 LYS B 17 6.061 -1.180 -8.520 1.00 23.13 H new ATOM 0 HD2 LYS B 17 5.705 1.093 -9.856 1.00 21.35 H new ATOM 0 HD3 LYS B 17 7.374 1.384 -9.407 1.00 21.35 H new ATOM 0 HE2 LYS B 17 7.980 0.127 -11.177 1.00 51.23 H new ATOM 0 HE3 LYS B 17 7.396 -1.272 -10.298 1.00 51.23 H new ATOM 0 HZ1 LYS B 17 6.389 -1.125 -12.480 1.00 71.41 H new ATOM 0 HZ2 LYS B 17 5.201 -0.939 -11.280 1.00 71.41 H new ATOM 0 HZ3 LYS B 17 5.768 0.416 -12.132 1.00 71.41 H new ATOM 1319 N LEU B 18 4.064 2.343 -5.500 1.00 13.53 N ATOM 1320 CA LEU B 18 3.235 3.492 -5.149 1.00 14.05 C ATOM 1321 C LEU B 18 3.861 4.285 -4.005 1.00 35.14 C ATOM 1322 O LEU B 18 3.895 5.515 -4.037 1.00 4.25 O ATOM 1323 CB LEU B 18 1.831 3.032 -4.757 1.00 13.51 C ATOM 1324 CG LEU B 18 0.892 2.680 -5.912 1.00 53.30 C ATOM 1325 CD1 LEU B 18 0.027 1.483 -5.551 1.00 32.25 C ATOM 1326 CD2 LEU B 18 0.025 3.877 -6.278 1.00 15.14 C ATOM 0 H LEU B 18 3.575 1.448 -5.478 1.00 13.53 H new ATOM 0 HA LEU B 18 3.167 4.141 -6.022 1.00 14.05 H new ATOM 0 HB2 LEU B 18 1.924 2.158 -4.112 1.00 13.51 H new ATOM 0 HB3 LEU B 18 1.365 3.819 -4.164 1.00 13.51 H new ATOM 0 HG LEU B 18 1.497 2.416 -6.779 1.00 53.30 H new ATOM 0 HD11 LEU B 18 -0.634 1.247 -6.385 1.00 32.25 H new ATOM 0 HD12 LEU B 18 0.664 0.624 -5.339 1.00 32.25 H new ATOM 0 HD13 LEU B 18 -0.570 1.718 -4.670 1.00 32.25 H new ATOM 0 HD21 LEU B 18 -0.637 3.609 -7.101 1.00 15.14 H new ATOM 0 HD22 LEU B 18 -0.571 4.172 -5.415 1.00 15.14 H new ATOM 0 HD23 LEU B 18 0.662 4.708 -6.580 1.00 15.14 H new ATOM 1338 N ALA B 19 4.356 3.572 -2.999 1.00 71.23 N ATOM 1339 CA ALA B 19 4.985 4.209 -1.849 1.00 55.50 C ATOM 1340 C ALA B 19 6.160 5.081 -2.277 1.00 11.01 C ATOM 1341 O ALA B 19 6.567 5.989 -1.554 1.00 14.44 O ATOM 1342 CB ALA B 19 5.442 3.158 -0.848 1.00 42.31 C ATOM 0 H ALA B 19 4.334 2.553 -2.957 1.00 71.23 H new ATOM 0 HA ALA B 19 4.245 4.852 -1.372 1.00 55.50 H new ATOM 0 HB1 ALA B 19 5.910 3.648 0.006 1.00 42.31 H new ATOM 0 HB2 ALA B 19 4.582 2.581 -0.509 1.00 42.31 H new ATOM 0 HB3 ALA B 19 6.162 2.492 -1.323 1.00 42.31 H new ATOM 1348 N GLU B 20 6.700 4.797 -3.458 1.00 64.34 N ATOM 1349 CA GLU B 20 7.831 5.556 -3.981 1.00 54.04 C ATOM 1350 C GLU B 20 7.390 6.944 -4.437 1.00 60.13 C ATOM 1351 O GLU B 20 8.002 7.949 -4.079 1.00 64.10 O ATOM 1352 CB GLU B 20 8.480 4.807 -5.147 1.00 63.41 C ATOM 1353 CG GLU B 20 9.988 4.980 -5.216 1.00 11.01 C ATOM 1354 CD GLU B 20 10.726 3.656 -5.256 1.00 53.21 C ATOM 1355 OE1 GLU B 20 11.519 3.447 -6.197 1.00 65.32 O ATOM 1356 OE2 GLU B 20 10.510 2.829 -4.346 1.00 0.12 O ATOM 0 H GLU B 20 6.374 4.049 -4.070 1.00 64.34 H new ATOM 0 HA GLU B 20 8.561 5.670 -3.180 1.00 54.04 H new ATOM 0 HB2 GLU B 20 8.248 3.746 -5.060 1.00 63.41 H new ATOM 0 HB3 GLU B 20 8.040 5.154 -6.082 1.00 63.41 H new ATOM 0 HG2 GLU B 20 10.243 5.561 -6.102 1.00 11.01 H new ATOM 0 HG3 GLU B 20 10.324 5.553 -4.352 1.00 11.01 H new ATOM 1364 N GLU B 21 6.323 6.989 -5.229 1.00 65.23 N ATOM 1365 CA GLU B 21 5.802 8.254 -5.735 1.00 73.15 C ATOM 1366 C GLU B 21 5.132 9.051 -4.619 1.00 54.14 C ATOM 1367 O GLU B 21 5.436 10.225 -4.412 1.00 43.11 O ATOM 1368 CB GLU B 21 4.804 8.003 -6.868 1.00 4.22 C ATOM 1369 CG GLU B 21 5.345 7.104 -7.966 1.00 53.22 C ATOM 1370 CD GLU B 21 5.527 7.835 -9.283 1.00 44.10 C ATOM 1371 OE1 GLU B 21 6.608 8.427 -9.487 1.00 54.10 O ATOM 1372 OE2 GLU B 21 4.590 7.817 -10.107 1.00 14.33 O ATOM 0 H GLU B 21 5.803 6.166 -5.534 1.00 65.23 H new ATOM 0 HA GLU B 21 6.640 8.835 -6.121 1.00 73.15 H new ATOM 0 HB2 GLU B 21 3.902 7.553 -6.453 1.00 4.22 H new ATOM 0 HB3 GLU B 21 4.513 8.959 -7.303 1.00 4.22 H new ATOM 0 HG2 GLU B 21 6.302 6.688 -7.651 1.00 53.22 H new ATOM 0 HG3 GLU B 21 4.665 6.265 -8.112 1.00 53.22 H new ATOM 1380 N ALA B 22 4.216 8.404 -3.906 1.00 4.41 N ATOM 1381 CA ALA B 22 3.504 9.051 -2.810 1.00 55.30 C ATOM 1382 C ALA B 22 4.476 9.656 -1.804 1.00 71.44 C ATOM 1383 O ALA B 22 4.173 10.660 -1.160 1.00 60.22 O ATOM 1384 CB ALA B 22 2.580 8.057 -2.122 1.00 31.03 C ATOM 0 H ALA B 22 3.949 7.433 -4.067 1.00 4.41 H new ATOM 0 HA ALA B 22 2.904 9.860 -3.227 1.00 55.30 H new ATOM 0 HB1 ALA B 22 2.055 8.553 -1.306 1.00 31.03 H new ATOM 0 HB2 ALA B 22 1.855 7.676 -2.841 1.00 31.03 H new ATOM 0 HB3 ALA B 22 3.167 7.229 -1.725 1.00 31.03 H new ATOM 1390 N ALA B 23 5.646 9.039 -1.673 1.00 12.12 N ATOM 1391 CA ALA B 23 6.663 9.518 -0.745 1.00 30.32 C ATOM 1392 C ALA B 23 7.293 10.814 -1.243 1.00 34.41 C ATOM 1393 O ALA B 23 7.331 11.814 -0.526 1.00 53.13 O ATOM 1394 CB ALA B 23 7.732 8.455 -0.539 1.00 24.02 C ATOM 0 H ALA B 23 5.913 8.206 -2.198 1.00 12.12 H new ATOM 0 HA ALA B 23 6.180 9.723 0.211 1.00 30.32 H new ATOM 0 HB1 ALA B 23 8.485 8.826 0.156 1.00 24.02 H new ATOM 0 HB2 ALA B 23 7.275 7.553 -0.131 1.00 24.02 H new ATOM 0 HB3 ALA B 23 8.203 8.223 -1.494 1.00 24.02 H new ATOM 1400 N LYS B 24 7.787 10.791 -2.477 1.00 12.11 N ATOM 1401 CA LYS B 24 8.416 11.964 -3.072 1.00 75.32 C ATOM 1402 C LYS B 24 7.405 13.093 -3.245 1.00 75.31 C ATOM 1403 O LYS B 24 7.747 14.271 -3.129 1.00 31.32 O ATOM 1404 CB LYS B 24 9.034 11.606 -4.425 1.00 73.03 C ATOM 1405 CG LYS B 24 8.053 10.961 -5.390 1.00 71.42 C ATOM 1406 CD LYS B 24 8.718 10.611 -6.711 1.00 64.02 C ATOM 1407 CE LYS B 24 9.512 9.318 -6.609 1.00 22.02 C ATOM 1408 NZ LYS B 24 10.190 8.981 -7.893 1.00 3.32 N ATOM 0 H LYS B 24 7.764 9.972 -3.084 1.00 12.11 H new ATOM 0 HA LYS B 24 9.203 12.304 -2.399 1.00 75.32 H new ATOM 0 HB2 LYS B 24 9.438 12.510 -4.881 1.00 73.03 H new ATOM 0 HB3 LYS B 24 9.872 10.928 -4.264 1.00 73.03 H new ATOM 0 HG2 LYS B 24 7.639 10.059 -4.940 1.00 71.42 H new ATOM 0 HG3 LYS B 24 7.219 11.639 -5.570 1.00 71.42 H new ATOM 0 HD2 LYS B 24 7.959 10.513 -7.487 1.00 64.02 H new ATOM 0 HD3 LYS B 24 9.380 11.423 -7.013 1.00 64.02 H new ATOM 0 HE2 LYS B 24 10.257 9.410 -5.818 1.00 22.02 H new ATOM 0 HE3 LYS B 24 8.845 8.504 -6.326 1.00 22.02 H new ATOM 0 HZ1 LYS B 24 10.721 8.093 -7.783 1.00 3.32 H new ATOM 0 HZ2 LYS B 24 9.478 8.868 -8.642 1.00 3.32 H new ATOM 0 HZ3 LYS B 24 10.845 9.746 -8.151 1.00 3.32 H new ATOM 1422 N LEU B 25 6.158 12.727 -3.524 1.00 41.02 N ATOM 1423 CA LEU B 25 5.097 13.710 -3.712 1.00 71.14 C ATOM 1424 C LEU B 25 4.633 14.274 -2.372 1.00 75.14 C ATOM 1425 O LEU B 25 4.378 15.472 -2.246 1.00 73.23 O ATOM 1426 CB LEU B 25 3.914 13.079 -4.449 1.00 14.24 C ATOM 1427 CG LEU B 25 3.767 13.449 -5.925 1.00 3.11 C ATOM 1428 CD1 LEU B 25 2.538 12.783 -6.523 1.00 20.22 C ATOM 1429 CD2 LEU B 25 3.691 14.960 -6.090 1.00 41.31 C ATOM 0 H LEU B 25 5.858 11.757 -3.625 1.00 41.02 H new ATOM 0 HA LEU B 25 5.496 14.528 -4.311 1.00 71.14 H new ATOM 0 HB2 LEU B 25 4.002 11.995 -4.374 1.00 14.24 H new ATOM 0 HB3 LEU B 25 2.997 13.361 -3.931 1.00 14.24 H new ATOM 0 HG LEU B 25 4.646 13.088 -6.460 1.00 3.11 H new ATOM 0 HD11 LEU B 25 2.450 13.058 -7.574 1.00 20.22 H new ATOM 0 HD12 LEU B 25 2.633 11.700 -6.438 1.00 20.22 H new ATOM 0 HD13 LEU B 25 1.648 13.112 -5.986 1.00 20.22 H new ATOM 0 HD21 LEU B 25 3.587 15.206 -7.147 1.00 41.31 H new ATOM 0 HD22 LEU B 25 2.830 15.343 -5.542 1.00 41.31 H new ATOM 0 HD23 LEU B 25 4.602 15.415 -5.700 1.00 41.31 H new ATOM 1441 N LEU B 26 4.527 13.403 -1.376 1.00 4.44 N ATOM 1442 CA LEU B 26 4.096 13.814 -0.043 1.00 71.24 C ATOM 1443 C LEU B 26 4.904 15.012 0.444 1.00 4.40 C ATOM 1444 O LEU B 26 4.340 16.010 0.895 1.00 24.44 O ATOM 1445 CB LEU B 26 4.240 12.653 0.942 1.00 60.13 C ATOM 1446 CG LEU B 26 2.966 11.858 1.231 1.00 5.45 C ATOM 1447 CD1 LEU B 26 3.262 10.703 2.177 1.00 2.45 C ATOM 1448 CD2 LEU B 26 1.892 12.764 1.814 1.00 42.11 C ATOM 0 H LEU B 26 4.733 12.408 -1.465 1.00 4.44 H new ATOM 0 HA LEU B 26 3.047 14.105 -0.101 1.00 71.24 H new ATOM 0 HB2 LEU B 26 4.993 11.966 0.556 1.00 60.13 H new ATOM 0 HB3 LEU B 26 4.621 13.047 1.884 1.00 60.13 H new ATOM 0 HG LEU B 26 2.596 11.447 0.292 1.00 5.45 H new ATOM 0 HD11 LEU B 26 2.344 10.148 2.372 1.00 2.45 H new ATOM 0 HD12 LEU B 26 3.998 10.040 1.722 1.00 2.45 H new ATOM 0 HD13 LEU B 26 3.656 11.093 3.115 1.00 2.45 H new ATOM 0 HD21 LEU B 26 0.993 12.181 2.013 1.00 42.11 H new ATOM 0 HD22 LEU B 26 2.253 13.204 2.744 1.00 42.11 H new ATOM 0 HD23 LEU B 26 1.660 13.557 1.103 1.00 42.11 H new ATOM 1460 N GLU B 27 6.226 14.908 0.350 1.00 12.32 N ATOM 1461 CA GLU B 27 7.110 15.984 0.780 1.00 3.41 C ATOM 1462 C GLU B 27 7.493 16.876 -0.396 1.00 72.32 C ATOM 1463 O GLU B 27 8.404 17.697 -0.296 1.00 64.21 O ATOM 1464 CB GLU B 27 8.370 15.409 1.431 1.00 41.41 C ATOM 1465 CG GLU B 27 8.090 14.278 2.407 1.00 1.21 C ATOM 1466 CD GLU B 27 9.229 14.054 3.381 1.00 12.35 C ATOM 1467 OE1 GLU B 27 9.329 12.934 3.928 1.00 61.31 O ATOM 1468 OE2 GLU B 27 10.020 14.995 3.599 1.00 15.32 O ATOM 0 H GLU B 27 6.708 14.089 -0.020 1.00 12.32 H new ATOM 0 HA GLU B 27 6.575 16.589 1.512 1.00 3.41 H new ATOM 0 HB2 GLU B 27 9.039 15.047 0.650 1.00 41.41 H new ATOM 0 HB3 GLU B 27 8.895 16.208 1.955 1.00 41.41 H new ATOM 0 HG2 GLU B 27 7.179 14.500 2.963 1.00 1.21 H new ATOM 0 HG3 GLU B 27 7.907 13.359 1.850 1.00 1.21 H new ATOM 1476 N GLY B 28 6.790 16.709 -1.512 1.00 3.01 N ATOM 1477 CA GLY B 28 7.072 17.505 -2.692 1.00 74.34 C ATOM 1478 C GLY B 28 6.911 18.991 -2.441 1.00 23.30 C ATOM 1479 O GLY B 28 7.357 19.814 -3.239 1.00 65.50 O ATOM 0 H GLY B 28 6.030 16.037 -1.620 1.00 3.01 H new ATOM 0 HA2 GLY B 28 8.090 17.304 -3.027 1.00 74.34 H new ATOM 0 HA3 GLY B 28 6.405 17.202 -3.499 1.00 74.34 H new ATOM 1483 N GLY B 29 6.269 19.336 -1.329 1.00 21.53 N ATOM 1484 CA GLY B 29 6.061 20.733 -0.996 1.00 42.44 C ATOM 1485 C GLY B 29 4.648 21.011 -0.522 1.00 42.03 C ATOM 1486 O GLY B 29 4.020 21.978 -0.953 1.00 25.30 O ATOM 0 H GLY B 29 5.889 18.673 -0.653 1.00 21.53 H new ATOM 0 HA2 GLY B 29 6.766 21.027 -0.219 1.00 42.44 H new ATOM 0 HA3 GLY B 29 6.275 21.348 -1.870 1.00 42.44 H new ATOM 1490 N GLY B 30 4.144 20.159 0.366 1.00 63.13 N ATOM 1491 CA GLY B 30 2.799 20.335 0.883 1.00 74.41 C ATOM 1492 C GLY B 30 2.444 19.305 1.936 1.00 52.23 C ATOM 1493 O GLY B 30 2.624 19.541 3.130 1.00 3.14 O ATOM 0 H GLY B 30 4.643 19.350 0.736 1.00 63.13 H new ATOM 0 HA2 GLY B 30 2.705 21.334 1.310 1.00 74.41 H new ATOM 0 HA3 GLY B 30 2.086 20.271 0.061 1.00 74.41 H new ATOM 1497 N GLY B 31 1.935 18.159 1.494 1.00 54.32 N ATOM 1498 CA GLY B 31 1.558 17.108 2.421 1.00 31.13 C ATOM 1499 C GLY B 31 0.572 17.584 3.469 1.00 22.24 C ATOM 1500 O GLY B 31 -0.601 17.806 3.172 1.00 64.42 O ATOM 0 H GLY B 31 1.777 17.940 0.510 1.00 54.32 H new ATOM 0 HA2 GLY B 31 1.121 16.278 1.866 1.00 31.13 H new ATOM 0 HA3 GLY B 31 2.451 16.726 2.915 1.00 31.13 H new ATOM 1504 N GLY B 32 1.048 17.739 4.701 1.00 10.12 N ATOM 1505 CA GLY B 32 0.186 18.188 5.778 1.00 13.31 C ATOM 1506 C GLY B 32 0.882 19.159 6.712 1.00 33.50 C ATOM 1507 O GLY B 32 1.106 20.316 6.360 1.00 45.34 O ATOM 0 H GLY B 32 2.015 17.562 4.972 1.00 10.12 H new ATOM 0 HA2 GLY B 32 -0.699 18.665 5.356 1.00 13.31 H new ATOM 0 HA3 GLY B 32 -0.158 17.325 6.347 1.00 13.31 H new ATOM 1511 N GLY B 33 1.225 18.686 7.906 1.00 30.20 N ATOM 1512 CA GLY B 33 1.895 19.533 8.874 1.00 3.12 C ATOM 1513 C GLY B 33 3.331 19.114 9.117 1.00 20.43 C ATOM 1514 O GLY B 33 4.212 19.957 9.285 1.00 51.25 O ATOM 0 H GLY B 33 1.051 17.731 8.220 1.00 30.20 H new ATOM 0 HA2 GLY B 33 1.875 20.565 8.524 1.00 3.12 H new ATOM 0 HA3 GLY B 33 1.348 19.506 9.816 1.00 3.12 H new ATOM 1518 N GLY B 34 3.569 17.806 9.137 1.00 2.04 N ATOM 1519 CA GLY B 34 4.910 17.299 9.364 1.00 73.44 C ATOM 1520 C GLY B 34 5.041 16.578 10.691 1.00 53.12 C ATOM 1521 O GLY B 34 4.941 17.192 11.751 1.00 4.53 O ATOM 0 H GLY B 34 2.857 17.088 9.000 1.00 2.04 H new ATOM 0 HA2 GLY B 34 5.179 16.618 8.556 1.00 73.44 H new ATOM 0 HA3 GLY B 34 5.618 18.127 9.333 1.00 73.44 H new ATOM 1525 N GLY B 35 5.265 15.268 10.631 1.00 71.05 N ATOM 1526 CA GLY B 35 5.404 14.484 11.844 1.00 53.41 C ATOM 1527 C GLY B 35 4.773 13.112 11.722 1.00 32.10 C ATOM 1528 O GLY B 35 4.947 12.428 10.714 1.00 64.45 O ATOM 0 H GLY B 35 5.352 14.737 9.765 1.00 71.05 H new ATOM 0 HA2 GLY B 35 6.462 14.374 12.083 1.00 53.41 H new ATOM 0 HA3 GLY B 35 4.944 15.020 12.674 1.00 53.41 H new ATOM 1532 N GLU B 36 4.038 12.706 12.753 1.00 52.31 N ATOM 1533 CA GLU B 36 3.380 11.405 12.757 1.00 33.34 C ATOM 1534 C GLU B 36 2.440 11.266 11.563 1.00 22.44 C ATOM 1535 O GLU B 36 2.243 10.169 11.038 1.00 24.53 O ATOM 1536 CB GLU B 36 2.601 11.206 14.059 1.00 75.31 C ATOM 1537 CG GLU B 36 1.733 9.959 14.064 1.00 11.23 C ATOM 1538 CD GLU B 36 1.228 9.606 15.449 1.00 12.02 C ATOM 1539 OE1 GLU B 36 1.990 8.978 16.215 1.00 34.00 O ATOM 1540 OE2 GLU B 36 0.072 9.955 15.768 1.00 22.14 O ATOM 0 H GLU B 36 3.884 13.259 13.596 1.00 52.31 H new ATOM 0 HA GLU B 36 4.150 10.638 12.682 1.00 33.34 H new ATOM 0 HB2 GLU B 36 3.305 11.152 14.889 1.00 75.31 H new ATOM 0 HB3 GLU B 36 1.971 12.078 14.232 1.00 75.31 H new ATOM 0 HG2 GLU B 36 0.883 10.110 13.399 1.00 11.23 H new ATOM 0 HG3 GLU B 36 2.305 9.121 13.665 1.00 11.23 H new ATOM 1548 N LEU B 37 1.863 12.385 11.139 1.00 12.03 N ATOM 1549 CA LEU B 37 0.943 12.389 10.006 1.00 24.43 C ATOM 1550 C LEU B 37 1.656 11.972 8.724 1.00 20.11 C ATOM 1551 O LEU B 37 1.172 11.117 7.983 1.00 4.25 O ATOM 1552 CB LEU B 37 0.325 13.777 9.832 1.00 31.41 C ATOM 1553 CG LEU B 37 -0.350 14.047 8.487 1.00 50.11 C ATOM 1554 CD1 LEU B 37 -1.555 13.138 8.303 1.00 61.20 C ATOM 1555 CD2 LEU B 37 -0.761 15.508 8.380 1.00 33.41 C ATOM 0 H LEU B 37 2.015 13.301 11.562 1.00 12.03 H new ATOM 0 HA LEU B 37 0.151 11.668 10.209 1.00 24.43 H new ATOM 0 HB2 LEU B 37 -0.411 13.927 10.622 1.00 31.41 H new ATOM 0 HB3 LEU B 37 1.107 14.522 9.980 1.00 31.41 H new ATOM 0 HG LEU B 37 0.366 13.833 7.694 1.00 50.11 H new ATOM 0 HD11 LEU B 37 -2.023 13.344 7.340 1.00 61.20 H new ATOM 0 HD12 LEU B 37 -1.234 12.097 8.335 1.00 61.20 H new ATOM 0 HD13 LEU B 37 -2.274 13.320 9.102 1.00 61.20 H new ATOM 0 HD21 LEU B 37 -1.240 15.682 7.416 1.00 33.41 H new ATOM 0 HD22 LEU B 37 -1.460 15.749 9.181 1.00 33.41 H new ATOM 0 HD23 LEU B 37 0.122 16.142 8.466 1.00 33.41 H new ATOM 1567 N MET B 38 2.810 12.580 8.470 1.00 64.52 N ATOM 1568 CA MET B 38 3.591 12.269 7.278 1.00 23.43 C ATOM 1569 C MET B 38 4.248 10.898 7.402 1.00 11.13 C ATOM 1570 O MET B 38 4.236 10.105 6.460 1.00 44.01 O ATOM 1571 CB MET B 38 4.659 13.340 7.049 1.00 61.43 C ATOM 1572 CG MET B 38 5.654 12.983 5.956 1.00 13.41 C ATOM 1573 SD MET B 38 6.939 14.231 5.751 1.00 12.15 S ATOM 1574 CE MET B 38 5.950 15.677 5.385 1.00 41.14 C ATOM 0 H MET B 38 3.225 13.290 9.073 1.00 64.52 H new ATOM 0 HA MET B 38 2.914 12.252 6.424 1.00 23.43 H new ATOM 0 HB2 MET B 38 4.170 14.279 6.791 1.00 61.43 H new ATOM 0 HB3 MET B 38 5.200 13.507 7.981 1.00 61.43 H new ATOM 0 HG2 MET B 38 6.118 12.025 6.191 1.00 13.41 H new ATOM 0 HG3 MET B 38 5.122 12.857 5.013 1.00 13.41 H new ATOM 0 HE1 MET B 38 6.578 16.441 4.926 1.00 41.14 H new ATOM 0 HE2 MET B 38 5.148 15.405 4.698 1.00 41.14 H new ATOM 0 HE3 MET B 38 5.520 16.067 6.308 1.00 41.14 H new ATOM 1584 N LYS B 39 4.822 10.625 8.568 1.00 4.43 N ATOM 1585 CA LYS B 39 5.484 9.350 8.816 1.00 0.34 C ATOM 1586 C LYS B 39 4.484 8.199 8.765 1.00 34.31 C ATOM 1587 O LYS B 39 4.842 7.066 8.439 1.00 64.03 O ATOM 1588 CB LYS B 39 6.184 9.370 10.178 1.00 75.25 C ATOM 1589 CG LYS B 39 6.906 8.077 10.511 1.00 30.11 C ATOM 1590 CD LYS B 39 6.340 7.428 11.763 1.00 42.34 C ATOM 1591 CE LYS B 39 7.048 6.120 12.081 1.00 54.43 C ATOM 1592 NZ LYS B 39 8.206 6.323 12.994 1.00 62.54 N ATOM 0 H LYS B 39 4.842 11.271 9.357 1.00 4.43 H new ATOM 0 HA LYS B 39 6.228 9.198 8.034 1.00 0.34 H new ATOM 0 HB2 LYS B 39 6.900 10.191 10.197 1.00 75.25 H new ATOM 0 HB3 LYS B 39 5.446 9.574 10.953 1.00 75.25 H new ATOM 0 HG2 LYS B 39 6.822 7.386 9.672 1.00 30.11 H new ATOM 0 HG3 LYS B 39 7.968 8.278 10.653 1.00 30.11 H new ATOM 0 HD2 LYS B 39 6.441 8.112 12.606 1.00 42.34 H new ATOM 0 HD3 LYS B 39 5.274 7.243 11.628 1.00 42.34 H new ATOM 0 HE2 LYS B 39 6.342 5.427 12.539 1.00 54.43 H new ATOM 0 HE3 LYS B 39 7.392 5.659 11.155 1.00 54.43 H new ATOM 0 HZ1 LYS B 39 8.661 5.408 13.186 1.00 62.54 H new ATOM 0 HZ2 LYS B 39 8.892 6.964 12.547 1.00 62.54 H new ATOM 0 HZ3 LYS B 39 7.875 6.739 13.888 1.00 62.54 H new ATOM 1606 N LEU B 40 3.230 8.496 9.086 1.00 71.40 N ATOM 1607 CA LEU B 40 2.178 7.486 9.075 1.00 73.01 C ATOM 1608 C LEU B 40 2.118 6.777 7.725 1.00 71.35 C ATOM 1609 O LEU B 40 1.982 5.555 7.660 1.00 53.22 O ATOM 1610 CB LEU B 40 0.824 8.128 9.386 1.00 1.02 C ATOM 1611 CG LEU B 40 0.302 7.934 10.810 1.00 42.21 C ATOM 1612 CD1 LEU B 40 -0.879 8.855 11.076 1.00 23.54 C ATOM 1613 CD2 LEU B 40 -0.088 6.482 11.042 1.00 1.22 C ATOM 0 H LEU B 40 2.917 9.428 9.357 1.00 71.40 H new ATOM 0 HA LEU B 40 2.409 6.748 9.843 1.00 73.01 H new ATOM 0 HB2 LEU B 40 0.898 9.198 9.190 1.00 1.02 H new ATOM 0 HB3 LEU B 40 0.086 7.727 8.692 1.00 1.02 H new ATOM 0 HG LEU B 40 1.100 8.190 11.507 1.00 42.21 H new ATOM 0 HD11 LEU B 40 -1.237 8.703 12.094 1.00 23.54 H new ATOM 0 HD12 LEU B 40 -0.567 9.892 10.952 1.00 23.54 H new ATOM 0 HD13 LEU B 40 -1.681 8.631 10.372 1.00 23.54 H new ATOM 0 HD21 LEU B 40 -0.457 6.363 12.061 1.00 1.22 H new ATOM 0 HD22 LEU B 40 -0.870 6.198 10.337 1.00 1.22 H new ATOM 0 HD23 LEU B 40 0.783 5.843 10.895 1.00 1.22 H new ATOM 1625 N CYS B 41 2.224 7.551 6.651 1.00 54.13 N ATOM 1626 CA CYS B 41 2.183 6.998 5.303 1.00 74.24 C ATOM 1627 C CYS B 41 3.495 6.299 4.961 1.00 4.25 C ATOM 1628 O CYS B 41 3.524 5.375 4.150 1.00 35.25 O ATOM 1629 CB CYS B 41 1.901 8.102 4.284 1.00 72.35 C ATOM 1630 SG CYS B 41 2.020 7.566 2.560 1.00 24.23 S ATOM 0 H CYS B 41 2.339 8.564 6.688 1.00 54.13 H new ATOM 0 HA CYS B 41 1.379 6.263 5.264 1.00 74.24 H new ATOM 0 HB2 CYS B 41 0.901 8.498 4.462 1.00 72.35 H new ATOM 0 HB3 CYS B 41 2.602 8.920 4.448 1.00 72.35 H new ATOM 0 HG CYS B 41 2.611 6.409 2.505 1.00 24.23 H new ATOM 1636 N GLU B 42 4.579 6.747 5.588 1.00 50.43 N ATOM 1637 CA GLU B 42 5.894 6.166 5.348 1.00 11.04 C ATOM 1638 C GLU B 42 5.866 4.654 5.553 1.00 54.53 C ATOM 1639 O GLU B 42 6.675 3.925 4.980 1.00 2.33 O ATOM 1640 CB GLU B 42 6.932 6.798 6.278 1.00 34.11 C ATOM 1641 CG GLU B 42 8.359 6.670 5.772 1.00 42.11 C ATOM 1642 CD GLU B 42 9.038 8.015 5.597 1.00 24.23 C ATOM 1643 OE1 GLU B 42 8.499 8.858 4.852 1.00 43.34 O ATOM 1644 OE2 GLU B 42 10.109 8.222 6.205 1.00 63.01 O ATOM 0 H GLU B 42 4.572 7.510 6.265 1.00 50.43 H new ATOM 0 HA GLU B 42 6.170 6.370 4.314 1.00 11.04 H new ATOM 0 HB2 GLU B 42 6.695 7.854 6.409 1.00 34.11 H new ATOM 0 HB3 GLU B 42 6.860 6.331 7.260 1.00 34.11 H new ATOM 0 HG2 GLU B 42 8.936 6.064 6.471 1.00 42.11 H new ATOM 0 HG3 GLU B 42 8.357 6.141 4.819 1.00 42.11 H new ATOM 1652 N GLU B 43 4.928 4.191 6.373 1.00 1.33 N ATOM 1653 CA GLU B 43 4.795 2.766 6.655 1.00 41.33 C ATOM 1654 C GLU B 43 4.653 1.967 5.362 1.00 43.31 C ATOM 1655 O GLU B 43 5.112 0.830 5.270 1.00 15.45 O ATOM 1656 CB GLU B 43 3.587 2.513 7.559 1.00 20.33 C ATOM 1657 CG GLU B 43 3.627 3.294 8.861 1.00 63.05 C ATOM 1658 CD GLU B 43 4.391 2.571 9.953 1.00 22.42 C ATOM 1659 OE1 GLU B 43 3.961 1.465 10.345 1.00 64.24 O ATOM 1660 OE2 GLU B 43 5.419 3.109 10.416 1.00 52.03 O ATOM 0 H GLU B 43 4.249 4.781 6.854 1.00 1.33 H new ATOM 0 HA GLU B 43 5.699 2.437 7.168 1.00 41.33 H new ATOM 0 HB2 GLU B 43 2.678 2.773 7.017 1.00 20.33 H new ATOM 0 HB3 GLU B 43 3.530 1.448 7.785 1.00 20.33 H new ATOM 0 HG2 GLU B 43 4.088 4.266 8.683 1.00 63.05 H new ATOM 0 HG3 GLU B 43 2.608 3.481 9.199 1.00 63.05 H new ATOM 1668 N ALA B 44 4.014 2.573 4.367 1.00 73.20 N ATOM 1669 CA ALA B 44 3.812 1.920 3.080 1.00 74.51 C ATOM 1670 C ALA B 44 5.126 1.378 2.527 1.00 1.25 C ATOM 1671 O ALA B 44 5.178 0.266 2.004 1.00 1.04 O ATOM 1672 CB ALA B 44 3.181 2.888 2.090 1.00 64.14 C ATOM 0 H ALA B 44 3.627 3.515 4.428 1.00 73.20 H new ATOM 0 HA ALA B 44 3.136 1.078 3.230 1.00 74.51 H new ATOM 0 HB1 ALA B 44 3.036 2.387 1.133 1.00 64.14 H new ATOM 0 HB2 ALA B 44 2.218 3.224 2.473 1.00 64.14 H new ATOM 0 HB3 ALA B 44 3.837 3.748 1.953 1.00 64.14 H new ATOM 1678 N ALA B 45 6.186 2.172 2.646 1.00 2.41 N ATOM 1679 CA ALA B 45 7.499 1.771 2.161 1.00 33.43 C ATOM 1680 C ALA B 45 8.136 0.738 3.086 1.00 61.33 C ATOM 1681 O ALA B 45 9.009 -0.025 2.674 1.00 1.21 O ATOM 1682 CB ALA B 45 8.404 2.985 2.020 1.00 63.23 C ATOM 0 H ALA B 45 6.159 3.097 3.075 1.00 2.41 H new ATOM 0 HA ALA B 45 7.371 1.312 1.181 1.00 33.43 H new ATOM 0 HB1 ALA B 45 9.382 2.669 1.657 1.00 63.23 H new ATOM 0 HB2 ALA B 45 7.963 3.687 1.312 1.00 63.23 H new ATOM 0 HB3 ALA B 45 8.516 3.470 2.990 1.00 63.23 H new ATOM 1688 N LYS B 46 7.693 0.722 4.339 1.00 63.51 N ATOM 1689 CA LYS B 46 8.219 -0.216 5.324 1.00 53.24 C ATOM 1690 C LYS B 46 7.615 -1.603 5.130 1.00 20.32 C ATOM 1691 O LYS B 46 8.334 -2.601 5.067 1.00 3.40 O ATOM 1692 CB LYS B 46 7.928 0.284 6.740 1.00 50.12 C ATOM 1693 CG LYS B 46 9.178 0.598 7.544 1.00 70.44 C ATOM 1694 CD LYS B 46 8.861 0.798 9.015 1.00 10.31 C ATOM 1695 CE LYS B 46 10.127 0.952 9.843 1.00 43.41 C ATOM 1696 NZ LYS B 46 10.677 2.334 9.764 1.00 32.01 N ATOM 0 H LYS B 46 6.971 1.348 4.696 1.00 63.51 H new ATOM 0 HA LYS B 46 9.298 -0.285 5.184 1.00 53.24 H new ATOM 0 HB2 LYS B 46 7.310 1.180 6.680 1.00 50.12 H new ATOM 0 HB3 LYS B 46 7.345 -0.470 7.270 1.00 50.12 H new ATOM 0 HG2 LYS B 46 9.896 -0.214 7.433 1.00 70.44 H new ATOM 0 HG3 LYS B 46 9.650 1.497 7.147 1.00 70.44 H new ATOM 0 HD2 LYS B 46 8.236 1.683 9.136 1.00 10.31 H new ATOM 0 HD3 LYS B 46 8.286 -0.052 9.383 1.00 10.31 H new ATOM 0 HE2 LYS B 46 9.913 0.705 10.883 1.00 43.41 H new ATOM 0 HE3 LYS B 46 10.877 0.242 9.495 1.00 43.41 H new ATOM 0 HZ1 LYS B 46 11.539 2.398 10.342 1.00 32.01 H new ATOM 0 HZ2 LYS B 46 10.905 2.561 8.775 1.00 32.01 H new ATOM 0 HZ3 LYS B 46 9.971 3.010 10.120 1.00 32.01 H new ATOM 1710 N LYS B 47 6.292 -1.660 5.032 1.00 50.31 N ATOM 1711 CA LYS B 47 5.591 -2.924 4.843 1.00 70.24 C ATOM 1712 C LYS B 47 5.993 -3.576 3.524 1.00 24.13 C ATOM 1713 O LYS B 47 6.232 -4.782 3.465 1.00 71.22 O ATOM 1714 CB LYS B 47 4.077 -2.702 4.872 1.00 61.13 C ATOM 1715 CG LYS B 47 3.434 -3.067 6.198 1.00 5.02 C ATOM 1716 CD LYS B 47 3.259 -1.847 7.087 1.00 44.33 C ATOM 1717 CE LYS B 47 4.382 -1.736 8.108 1.00 4.20 C ATOM 1718 NZ LYS B 47 4.048 -2.436 9.379 1.00 43.23 N ATOM 0 H LYS B 47 5.682 -0.844 5.080 1.00 50.31 H new ATOM 0 HA LYS B 47 5.870 -3.590 5.659 1.00 70.24 H new ATOM 0 HB2 LYS B 47 3.868 -1.655 4.652 1.00 61.13 H new ATOM 0 HB3 LYS B 47 3.616 -3.292 4.080 1.00 61.13 H new ATOM 0 HG2 LYS B 47 2.463 -3.529 6.018 1.00 5.02 H new ATOM 0 HG3 LYS B 47 4.049 -3.807 6.710 1.00 5.02 H new ATOM 0 HD2 LYS B 47 3.235 -0.948 6.472 1.00 44.33 H new ATOM 0 HD3 LYS B 47 2.301 -1.906 7.603 1.00 44.33 H new ATOM 0 HE2 LYS B 47 5.296 -2.159 7.690 1.00 4.20 H new ATOM 0 HE3 LYS B 47 4.582 -0.685 8.314 1.00 4.20 H new ATOM 0 HZ1 LYS B 47 4.838 -2.337 10.048 1.00 43.23 H new ATOM 0 HZ2 LYS B 47 3.190 -2.016 9.791 1.00 43.23 H new ATOM 0 HZ3 LYS B 47 3.882 -3.444 9.187 1.00 43.23 H new ATOM 1732 N ALA B 48 6.069 -2.772 2.469 1.00 43.53 N ATOM 1733 CA ALA B 48 6.447 -3.270 1.153 1.00 31.12 C ATOM 1734 C ALA B 48 7.747 -4.065 1.219 1.00 42.42 C ATOM 1735 O ALA B 48 7.878 -5.110 0.583 1.00 30.02 O ATOM 1736 CB ALA B 48 6.581 -2.117 0.170 1.00 22.13 C ATOM 0 H ALA B 48 5.873 -1.771 2.501 1.00 43.53 H new ATOM 0 HA ALA B 48 5.660 -3.939 0.806 1.00 31.12 H new ATOM 0 HB1 ALA B 48 6.864 -2.504 -0.809 1.00 22.13 H new ATOM 0 HB2 ALA B 48 5.628 -1.593 0.092 1.00 22.13 H new ATOM 0 HB3 ALA B 48 7.347 -1.426 0.522 1.00 22.13 H new ATOM 1742 N GLU B 49 8.704 -3.562 1.993 1.00 70.33 N ATOM 1743 CA GLU B 49 9.994 -4.225 2.139 1.00 23.13 C ATOM 1744 C GLU B 49 9.854 -5.514 2.945 1.00 64.20 C ATOM 1745 O GLU B 49 10.584 -6.479 2.722 1.00 20.15 O ATOM 1746 CB GLU B 49 10.998 -3.292 2.819 1.00 22.31 C ATOM 1747 CG GLU B 49 12.444 -3.586 2.456 1.00 32.21 C ATOM 1748 CD GLU B 49 13.093 -2.455 1.682 1.00 4.23 C ATOM 1749 OE1 GLU B 49 13.310 -2.618 0.463 1.00 51.40 O ATOM 1750 OE2 GLU B 49 13.385 -1.407 2.295 1.00 14.51 O ATOM 0 H GLU B 49 8.610 -2.699 2.528 1.00 70.33 H new ATOM 0 HA GLU B 49 10.360 -4.476 1.143 1.00 23.13 H new ATOM 0 HB2 GLU B 49 10.766 -2.262 2.547 1.00 22.31 H new ATOM 0 HB3 GLU B 49 10.880 -3.371 3.900 1.00 22.31 H new ATOM 0 HG2 GLU B 49 13.013 -3.771 3.367 1.00 32.21 H new ATOM 0 HG3 GLU B 49 12.487 -4.499 1.862 1.00 32.21 H new ATOM 1758 N GLU B 50 8.913 -5.519 3.883 1.00 54.42 N ATOM 1759 CA GLU B 50 8.678 -6.688 4.722 1.00 4.34 C ATOM 1760 C GLU B 50 7.972 -7.789 3.938 1.00 13.42 C ATOM 1761 O GLU B 50 8.299 -8.969 4.071 1.00 0.10 O ATOM 1762 CB GLU B 50 7.844 -6.304 5.947 1.00 31.13 C ATOM 1763 CG GLU B 50 8.626 -5.534 6.999 1.00 12.01 C ATOM 1764 CD GLU B 50 9.276 -6.443 8.024 1.00 24.42 C ATOM 1765 OE1 GLU B 50 10.524 -6.475 8.079 1.00 32.35 O ATOM 1766 OE2 GLU B 50 8.540 -7.121 8.770 1.00 41.34 O ATOM 0 H GLU B 50 8.301 -4.727 4.081 1.00 54.42 H new ATOM 0 HA GLU B 50 9.645 -7.066 5.053 1.00 4.34 H new ATOM 0 HB2 GLU B 50 6.995 -5.701 5.624 1.00 31.13 H new ATOM 0 HB3 GLU B 50 7.438 -7.209 6.398 1.00 31.13 H new ATOM 0 HG2 GLU B 50 9.395 -4.936 6.510 1.00 12.01 H new ATOM 0 HG3 GLU B 50 7.957 -4.839 7.507 1.00 12.01 H new ATOM 1774 N LEU B 51 7.002 -7.396 3.120 1.00 74.01 N ATOM 1775 CA LEU B 51 6.248 -8.348 2.313 1.00 12.45 C ATOM 1776 C LEU B 51 7.100 -8.888 1.169 1.00 64.23 C ATOM 1777 O LEU B 51 7.236 -10.100 0.999 1.00 41.53 O ATOM 1778 CB LEU B 51 4.985 -7.689 1.756 1.00 1.22 C ATOM 1779 CG LEU B 51 3.717 -7.852 2.595 1.00 32.22 C ATOM 1780 CD1 LEU B 51 2.730 -6.734 2.294 1.00 4.35 C ATOM 1781 CD2 LEU B 51 3.080 -9.211 2.339 1.00 12.12 C ATOM 0 H LEU B 51 6.719 -6.424 2.998 1.00 74.01 H new ATOM 0 HA LEU B 51 5.962 -9.182 2.954 1.00 12.45 H new ATOM 0 HB2 LEU B 51 5.180 -6.624 1.632 1.00 1.22 H new ATOM 0 HB3 LEU B 51 4.794 -8.096 0.763 1.00 1.22 H new ATOM 0 HG LEU B 51 3.991 -7.793 3.648 1.00 32.22 H new ATOM 0 HD11 LEU B 51 1.834 -6.867 2.900 1.00 4.35 H new ATOM 0 HD12 LEU B 51 3.187 -5.772 2.528 1.00 4.35 H new ATOM 0 HD13 LEU B 51 2.461 -6.761 1.238 1.00 4.35 H new ATOM 0 HD21 LEU B 51 2.179 -9.310 2.944 1.00 12.12 H new ATOM 0 HD22 LEU B 51 2.820 -9.298 1.284 1.00 12.12 H new ATOM 0 HD23 LEU B 51 3.784 -9.999 2.605 1.00 12.12 H new ATOM 1793 N PHE B 52 7.675 -7.980 0.387 1.00 43.21 N ATOM 1794 CA PHE B 52 8.516 -8.364 -0.740 1.00 64.34 C ATOM 1795 C PHE B 52 9.658 -9.267 -0.284 1.00 33.34 C ATOM 1796 O PHE B 52 10.194 -10.052 -1.066 1.00 24.44 O ATOM 1797 CB PHE B 52 9.079 -7.120 -1.431 1.00 23.13 C ATOM 1798 CG PHE B 52 10.116 -7.430 -2.473 1.00 11.25 C ATOM 1799 CD1 PHE B 52 9.806 -8.229 -3.561 1.00 22.11 C ATOM 1800 CD2 PHE B 52 11.401 -6.923 -2.362 1.00 32.43 C ATOM 1801 CE1 PHE B 52 10.758 -8.516 -4.521 1.00 75.52 C ATOM 1802 CE2 PHE B 52 12.356 -7.207 -3.320 1.00 63.34 C ATOM 1803 CZ PHE B 52 12.035 -8.004 -4.400 1.00 12.33 C ATOM 0 H PHE B 52 7.574 -6.973 0.513 1.00 43.21 H new ATOM 0 HA PHE B 52 7.900 -8.917 -1.449 1.00 64.34 H new ATOM 0 HB2 PHE B 52 8.260 -6.571 -1.897 1.00 23.13 H new ATOM 0 HB3 PHE B 52 9.516 -6.463 -0.679 1.00 23.13 H new ATOM 0 HD1 PHE B 52 8.809 -8.632 -3.660 1.00 22.11 H new ATOM 0 HD2 PHE B 52 11.659 -6.300 -1.518 1.00 32.43 H new ATOM 0 HE1 PHE B 52 10.504 -9.140 -5.365 1.00 75.52 H new ATOM 0 HE2 PHE B 52 13.354 -6.805 -3.223 1.00 63.34 H new ATOM 0 HZ PHE B 52 12.781 -8.227 -5.149 1.00 12.33 H new ATOM 1813 N LYS B 53 10.026 -9.150 0.987 1.00 62.14 N ATOM 1814 CA LYS B 53 11.104 -9.954 1.550 1.00 3.52 C ATOM 1815 C LYS B 53 10.875 -11.437 1.278 1.00 54.14 C ATOM 1816 O LYS B 53 11.726 -12.111 0.696 1.00 71.14 O ATOM 1817 CB LYS B 53 11.214 -9.713 3.057 1.00 63.32 C ATOM 1818 CG LYS B 53 12.572 -10.077 3.634 1.00 12.13 C ATOM 1819 CD LYS B 53 13.643 -9.088 3.206 1.00 2.35 C ATOM 1820 CE LYS B 53 15.028 -9.718 3.237 1.00 53.31 C ATOM 1821 NZ LYS B 53 15.738 -9.557 1.939 1.00 30.34 N ATOM 0 H LYS B 53 9.593 -8.505 1.648 1.00 62.14 H new ATOM 0 HA LYS B 53 12.036 -9.654 1.071 1.00 3.52 H new ATOM 0 HB2 LYS B 53 11.010 -8.662 3.264 1.00 63.32 H new ATOM 0 HB3 LYS B 53 10.445 -10.293 3.566 1.00 63.32 H new ATOM 0 HG2 LYS B 53 12.511 -10.101 4.722 1.00 12.13 H new ATOM 0 HG3 LYS B 53 12.850 -11.079 3.308 1.00 12.13 H new ATOM 0 HD2 LYS B 53 13.428 -8.730 2.199 1.00 2.35 H new ATOM 0 HD3 LYS B 53 13.622 -8.220 3.865 1.00 2.35 H new ATOM 0 HE2 LYS B 53 15.617 -9.262 4.032 1.00 53.31 H new ATOM 0 HE3 LYS B 53 14.940 -10.778 3.474 1.00 53.31 H new ATOM 0 HZ1 LYS B 53 16.764 -9.629 2.093 1.00 30.34 H new ATOM 0 HZ2 LYS B 53 15.433 -10.303 1.282 1.00 30.34 H new ATOM 0 HZ3 LYS B 53 15.514 -8.626 1.534 1.00 30.34 H new ATOM 1835 N LEU B 54 9.720 -11.940 1.701 1.00 32.14 N ATOM 1836 CA LEU B 54 9.377 -13.344 1.500 1.00 24.04 C ATOM 1837 C LEU B 54 8.986 -13.608 0.050 1.00 30.15 C ATOM 1838 O LEU B 54 9.053 -14.741 -0.424 1.00 52.12 O ATOM 1839 CB LEU B 54 8.233 -13.748 2.431 1.00 44.41 C ATOM 1840 CG LEU B 54 8.630 -14.528 3.685 1.00 65.12 C ATOM 1841 CD1 LEU B 54 8.155 -13.805 4.936 1.00 1.22 C ATOM 1842 CD2 LEU B 54 8.067 -15.940 3.636 1.00 32.15 C ATOM 0 H LEU B 54 9.005 -11.397 2.185 1.00 32.14 H new ATOM 0 HA LEU B 54 10.257 -13.944 1.734 1.00 24.04 H new ATOM 0 HB2 LEU B 54 7.707 -12.845 2.741 1.00 44.41 H new ATOM 0 HB3 LEU B 54 7.524 -14.350 1.862 1.00 44.41 H new ATOM 0 HG LEU B 54 9.717 -14.594 3.719 1.00 65.12 H new ATOM 0 HD11 LEU B 54 8.446 -14.375 5.818 1.00 1.22 H new ATOM 0 HD12 LEU B 54 8.608 -12.814 4.978 1.00 1.22 H new ATOM 0 HD13 LEU B 54 7.070 -13.707 4.910 1.00 1.22 H new ATOM 0 HD21 LEU B 54 8.360 -16.480 4.536 1.00 32.15 H new ATOM 0 HD22 LEU B 54 6.980 -15.896 3.577 1.00 32.15 H new ATOM 0 HD23 LEU B 54 8.458 -16.457 2.760 1.00 32.15 H new ATOM 1854 N ALA B 55 8.580 -12.553 -0.649 1.00 51.03 N ATOM 1855 CA ALA B 55 8.182 -12.670 -2.046 1.00 25.32 C ATOM 1856 C ALA B 55 9.276 -13.336 -2.874 1.00 50.11 C ATOM 1857 O ALA B 55 8.993 -14.008 -3.866 1.00 11.22 O ATOM 1858 CB ALA B 55 7.846 -11.300 -2.616 1.00 64.43 C ATOM 0 H ALA B 55 8.518 -11.608 -0.270 1.00 51.03 H new ATOM 0 HA ALA B 55 7.293 -13.299 -2.093 1.00 25.32 H new ATOM 0 HB1 ALA B 55 7.550 -11.403 -3.660 1.00 64.43 H new ATOM 0 HB2 ALA B 55 7.026 -10.861 -2.048 1.00 64.43 H new ATOM 0 HB3 ALA B 55 8.721 -10.653 -2.549 1.00 64.43 H new ATOM 1864 N GLU B 56 10.524 -13.144 -2.462 1.00 1.24 N ATOM 1865 CA GLU B 56 11.660 -13.726 -3.167 1.00 74.41 C ATOM 1866 C GLU B 56 11.793 -15.213 -2.850 1.00 33.13 C ATOM 1867 O GLU B 56 12.338 -15.980 -3.644 1.00 72.20 O ATOM 1868 CB GLU B 56 12.951 -12.996 -2.793 1.00 70.00 C ATOM 1869 CG GLU B 56 13.442 -13.309 -1.389 1.00 35.42 C ATOM 1870 CD GLU B 56 14.115 -12.122 -0.728 1.00 13.21 C ATOM 1871 OE1 GLU B 56 14.406 -11.135 -1.436 1.00 53.12 O ATOM 1872 OE2 GLU B 56 14.351 -12.180 0.497 1.00 73.10 O ATOM 0 H GLU B 56 10.775 -12.590 -1.643 1.00 1.24 H new ATOM 0 HA GLU B 56 11.486 -13.614 -4.237 1.00 74.41 H new ATOM 0 HB2 GLU B 56 13.729 -13.262 -3.509 1.00 70.00 H new ATOM 0 HB3 GLU B 56 12.790 -11.922 -2.881 1.00 70.00 H new ATOM 0 HG2 GLU B 56 12.600 -13.631 -0.777 1.00 35.42 H new ATOM 0 HG3 GLU B 56 14.143 -14.143 -1.431 1.00 35.42 H new ATOM 1880 N GLU B 57 11.293 -15.611 -1.686 1.00 3.34 N ATOM 1881 CA GLU B 57 11.358 -17.006 -1.263 1.00 5.01 C ATOM 1882 C GLU B 57 10.567 -17.899 -2.213 1.00 32.31 C ATOM 1883 O GLU B 57 11.048 -18.949 -2.640 1.00 21.14 O ATOM 1884 CB GLU B 57 10.820 -17.156 0.161 1.00 44.23 C ATOM 1885 CG GLU B 57 10.878 -18.580 0.687 1.00 53.11 C ATOM 1886 CD GLU B 57 12.293 -19.123 0.746 1.00 34.33 C ATOM 1887 OE1 GLU B 57 13.214 -18.343 1.064 1.00 22.12 O ATOM 1888 OE2 GLU B 57 12.479 -20.327 0.473 1.00 10.33 O ATOM 0 H GLU B 57 10.838 -14.988 -1.018 1.00 3.34 H new ATOM 0 HA GLU B 57 12.403 -17.317 -1.284 1.00 5.01 H new ATOM 0 HB2 GLU B 57 11.391 -16.508 0.826 1.00 44.23 H new ATOM 0 HB3 GLU B 57 9.787 -16.809 0.188 1.00 44.23 H new ATOM 0 HG2 GLU B 57 10.438 -18.613 1.684 1.00 53.11 H new ATOM 0 HG3 GLU B 57 10.272 -19.224 0.050 1.00 53.11 H new ATOM 1896 N ARG B 58 9.351 -17.475 -2.542 1.00 61.14 N ATOM 1897 CA ARG B 58 8.492 -18.237 -3.441 1.00 5.13 C ATOM 1898 C ARG B 58 8.843 -17.954 -4.898 1.00 25.11 C ATOM 1899 O ARG B 58 8.400 -18.661 -5.803 1.00 12.14 O ATOM 1900 CB ARG B 58 7.023 -17.899 -3.184 1.00 41.04 C ATOM 1901 CG ARG B 58 6.752 -16.409 -3.062 1.00 63.14 C ATOM 1902 CD ARG B 58 6.331 -16.032 -1.650 1.00 73.11 C ATOM 1903 NE ARG B 58 7.155 -16.688 -0.639 1.00 31.22 N ATOM 1904 CZ ARG B 58 6.736 -17.707 0.103 1.00 43.04 C ATOM 1905 NH1 ARG B 58 5.509 -18.184 -0.052 1.00 41.20 N ATOM 1906 NH2 ARG B 58 7.546 -18.251 1.003 1.00 74.12 N ATOM 0 H ARG B 58 8.938 -16.607 -2.199 1.00 61.14 H new ATOM 0 HA ARG B 58 8.653 -19.297 -3.246 1.00 5.13 H new ATOM 0 HB2 ARG B 58 6.419 -18.304 -3.996 1.00 41.04 H new ATOM 0 HB3 ARG B 58 6.700 -18.394 -2.268 1.00 41.04 H new ATOM 0 HG2 ARG B 58 7.648 -15.852 -3.337 1.00 63.14 H new ATOM 0 HG3 ARG B 58 5.970 -16.122 -3.765 1.00 63.14 H new ATOM 0 HD2 ARG B 58 6.400 -14.951 -1.528 1.00 73.11 H new ATOM 0 HD3 ARG B 58 5.286 -16.304 -1.498 1.00 73.11 H new ATOM 0 HE ARG B 58 8.105 -16.345 -0.494 1.00 31.22 H new ATOM 0 HH11 ARG B 58 4.884 -17.768 -0.743 1.00 41.20 H new ATOM 0 HH12 ARG B 58 5.190 -18.967 0.519 1.00 41.20 H new ATOM 0 HH21 ARG B 58 8.491 -17.887 1.125 1.00 74.12 H new ATOM 0 HH22 ARG B 58 7.224 -19.033 1.572 1.00 74.12 H new ATOM 1920 N LEU B 59 9.641 -16.915 -5.118 1.00 4.44 N ATOM 1921 CA LEU B 59 10.052 -16.537 -6.466 1.00 32.24 C ATOM 1922 C LEU B 59 11.572 -16.561 -6.599 1.00 43.53 C ATOM 1923 O LEU B 59 12.142 -17.493 -7.166 1.00 5.42 O ATOM 1924 CB LEU B 59 9.520 -15.146 -6.811 1.00 51.14 C ATOM 1925 CG LEU B 59 10.083 -14.508 -8.083 1.00 41.30 C ATOM 1926 CD1 LEU B 59 9.822 -15.398 -9.286 1.00 33.55 C ATOM 1927 CD2 LEU B 59 9.481 -13.127 -8.297 1.00 21.30 C ATOM 0 H LEU B 59 10.016 -16.319 -4.380 1.00 4.44 H new ATOM 0 HA LEU B 59 9.634 -17.262 -7.164 1.00 32.24 H new ATOM 0 HB2 LEU B 59 8.436 -15.207 -6.908 1.00 51.14 H new ATOM 0 HB3 LEU B 59 9.728 -14.481 -5.973 1.00 51.14 H new ATOM 0 HG LEU B 59 11.161 -14.398 -7.966 1.00 41.30 H new ATOM 0 HD11 LEU B 59 10.229 -14.928 -10.181 1.00 33.55 H new ATOM 0 HD12 LEU B 59 10.301 -16.365 -9.134 1.00 33.55 H new ATOM 0 HD13 LEU B 59 8.748 -15.540 -9.407 1.00 33.55 H new ATOM 0 HD21 LEU B 59 9.892 -12.688 -9.206 1.00 21.30 H new ATOM 0 HD22 LEU B 59 8.399 -13.213 -8.393 1.00 21.30 H new ATOM 0 HD23 LEU B 59 9.720 -12.490 -7.446 1.00 21.30 H new ATOM 1939 N LYS B 60 12.222 -15.530 -6.070 1.00 62.34 N ATOM 1940 CA LYS B 60 13.676 -15.432 -6.126 1.00 63.21 C ATOM 1941 C LYS B 60 14.149 -15.157 -7.550 1.00 65.22 C ATOM 1942 O LYS B 60 13.340 -14.948 -8.454 1.00 73.12 O ATOM 1943 CB LYS B 60 14.315 -16.721 -5.605 1.00 54.31 C ATOM 1944 CG LYS B 60 15.075 -16.540 -4.302 1.00 71.02 C ATOM 1945 CD LYS B 60 15.268 -17.863 -3.581 1.00 1.21 C ATOM 1946 CE LYS B 60 16.266 -18.752 -4.306 1.00 23.35 C ATOM 1947 NZ LYS B 60 17.663 -18.258 -4.151 1.00 73.14 N ATOM 0 H LYS B 60 11.765 -14.750 -5.597 1.00 62.34 H new ATOM 0 HA LYS B 60 13.983 -14.600 -5.493 1.00 63.21 H new ATOM 0 HB2 LYS B 60 13.536 -17.470 -5.461 1.00 54.31 H new ATOM 0 HB3 LYS B 60 14.996 -17.111 -6.362 1.00 54.31 H new ATOM 0 HG2 LYS B 60 16.047 -16.091 -4.506 1.00 71.02 H new ATOM 0 HG3 LYS B 60 14.533 -15.849 -3.657 1.00 71.02 H new ATOM 0 HD2 LYS B 60 15.616 -17.677 -2.565 1.00 1.21 H new ATOM 0 HD3 LYS B 60 14.311 -18.378 -3.501 1.00 1.21 H new ATOM 0 HE2 LYS B 60 16.195 -19.769 -3.919 1.00 23.35 H new ATOM 0 HE3 LYS B 60 16.011 -18.796 -5.365 1.00 23.35 H new ATOM 0 HZ1 LYS B 60 18.327 -18.981 -4.495 1.00 73.14 H new ATOM 0 HZ2 LYS B 60 17.786 -17.385 -4.702 1.00 73.14 H new ATOM 0 HZ3 LYS B 60 17.853 -18.063 -3.147 1.00 73.14 H new ATOM 1961 N LYS B 61 15.464 -15.160 -7.743 1.00 42.12 N ATOM 1962 CA LYS B 61 16.045 -14.914 -9.058 1.00 12.34 C ATOM 1963 C LYS B 61 15.777 -13.483 -9.512 1.00 63.14 C ATOM 1964 O LYS B 61 15.804 -13.185 -10.707 1.00 43.31 O ATOM 1965 CB LYS B 61 15.478 -15.900 -10.081 1.00 44.24 C ATOM 1966 CG LYS B 61 16.544 -16.606 -10.901 1.00 42.52 C ATOM 1967 CD LYS B 61 16.946 -17.929 -10.271 1.00 71.12 C ATOM 1968 CE LYS B 61 18.348 -18.343 -10.690 1.00 71.42 C ATOM 1969 NZ LYS B 61 18.998 -19.213 -9.671 1.00 43.22 N ATOM 0 H LYS B 61 16.148 -15.330 -7.005 1.00 42.12 H new ATOM 0 HA LYS B 61 17.123 -15.057 -8.984 1.00 12.34 H new ATOM 0 HB2 LYS B 61 14.879 -16.647 -9.560 1.00 44.24 H new ATOM 0 HB3 LYS B 61 14.808 -15.366 -10.755 1.00 44.24 H new ATOM 0 HG2 LYS B 61 16.172 -16.781 -11.910 1.00 42.52 H new ATOM 0 HG3 LYS B 61 17.420 -15.964 -10.991 1.00 42.52 H new ATOM 0 HD2 LYS B 61 16.900 -17.845 -9.185 1.00 71.12 H new ATOM 0 HD3 LYS B 61 16.235 -18.702 -10.562 1.00 71.12 H new ATOM 0 HE2 LYS B 61 18.301 -18.872 -11.642 1.00 71.42 H new ATOM 0 HE3 LYS B 61 18.957 -17.453 -10.849 1.00 71.42 H new ATOM 0 HZ1 LYS B 61 19.952 -19.473 -9.994 1.00 43.22 H new ATOM 0 HZ2 LYS B 61 19.066 -18.700 -8.769 1.00 43.22 H new ATOM 0 HZ3 LYS B 61 18.431 -20.074 -9.537 1.00 43.22 H new ATOM 1983 N LEU B 62 15.521 -12.601 -8.552 1.00 50.10 N ATOM 1984 CA LEU B 62 15.249 -11.199 -8.854 1.00 24.31 C ATOM 1985 C LEU B 62 16.337 -10.615 -9.749 1.00 22.33 C ATOM 1986 O LEU B 62 17.506 -10.629 -9.365 1.00 35.34 O ATOM 1987 CB LEU B 62 15.148 -10.389 -7.560 1.00 1.22 C ATOM 1988 CG LEU B 62 14.163 -10.914 -6.515 1.00 70.33 C ATOM 1989 CD1 LEU B 62 13.024 -11.667 -7.185 1.00 62.43 C ATOM 1990 CD2 LEU B 62 14.877 -11.807 -5.511 1.00 50.50 C ATOM 0 H LEU B 62 15.496 -12.831 -7.559 1.00 50.10 H new ATOM 0 HA LEU B 62 14.299 -11.144 -9.385 1.00 24.31 H new ATOM 0 HB2 LEU B 62 16.138 -10.342 -7.106 1.00 1.22 H new ATOM 0 HB3 LEU B 62 14.866 -9.368 -7.815 1.00 1.22 H new ATOM 0 HG LEU B 62 13.743 -10.062 -5.980 1.00 70.33 H new ATOM 0 HD11 LEU B 62 12.333 -12.033 -6.425 1.00 62.43 H new ATOM 0 HD12 LEU B 62 12.495 -10.998 -7.864 1.00 62.43 H new ATOM 0 HD13 LEU B 62 13.426 -12.510 -7.746 1.00 62.43 H new ATOM 0 HD21 LEU B 62 14.161 -12.172 -4.775 1.00 50.50 H new ATOM 0 HD22 LEU B 62 15.325 -12.653 -6.031 1.00 50.50 H new ATOM 0 HD23 LEU B 62 15.657 -11.236 -5.007 1.00 50.50 H new TER 2002 LEU B 62 HETATM 2003 F1 HLT A 101 1.482 1.202 0.175 1.00 61.14 F HETATM 2004 C2 HLT A 101 1.113 2.162 -0.719 1.00 65.51 C HETATM 2005 F2 HLT A 101 1.030 3.353 -0.061 1.00 61.15 F HETATM 2006 F3 HLT A 101 2.074 2.258 -1.677 1.00 54.23 F HETATM 2007 C1 HLT A 101 -0.301 1.794 -1.356 1.00 41.04 C HETATM 2008 BR HLT A 101 -0.845 3.140 -2.542 1.00 32.14 BR HETATM 2009 CL HLT A 101 -0.179 0.208 -2.136 1.00 10.51 CL