USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot 140:sc= 0.779 USER MOD Set 1.2: A 44 GLN : amide:sc= 0.283 K(o=1.1,f=-0.8) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -172:sc= 0 (180deg=-0.0402) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.165 K(o=-0.17,f=-3.1!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.37 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 11 TYR OH : rot -123:sc= 1.29 USER MOD Single : A 12 GLN : amide:sc= -8.52! C(o=-8.5!,f=-18!) USER MOD Single : A 13 THR OG1 : rot -129:sc= 0.312 USER MOD Single : A 18 LYS NZ :NH3+ -104:sc= 0 (180deg=-0.485) USER MOD Single : A 21 HIS : no HE2:sc= -0.223 K(o=-0.22,f=-6.1!) USER MOD Single : A 23 ASN : amide:sc= -0.335 K(o=-0.34,f=-4.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0.00484 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= -0.0976 (180deg=-0.195) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.741 X(o=-0.74,f=-1.2) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= -0.001 (180deg=-0.0371) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.215 X(o=-0.21,f=-0.061) USER MOD Single : A 61 LYS NZ :NH3+ -137:sc= 1.05 (180deg=-0.918) USER MOD Single : A 62 THR OG1 : rot -35:sc= 0.781 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -9.722 11.356 23.364 1.00 18.29 N ATOM 2 CA MET A 0 -11.180 11.160 23.225 1.00 18.26 C ATOM 3 C MET A 0 -11.511 9.762 22.700 1.00 17.41 C ATOM 4 O MET A 0 -12.242 9.018 23.346 1.00 17.41 O ATOM 5 CB MET A 0 -11.824 12.266 22.374 1.00 19.12 C ATOM 6 CG MET A 0 -11.861 13.616 23.109 1.00 20.04 C ATOM 7 SD MET A 0 -12.837 13.612 24.637 1.00 20.53 S ATOM 8 CE MET A 0 -12.496 15.277 25.251 1.00 21.68 C ATOM 0 H1 MET A 0 -9.538 12.258 23.847 1.00 18.29 H new ATOM 0 H2 MET A 0 -9.318 10.576 23.921 1.00 18.29 H new ATOM 0 H3 MET A 0 -9.282 11.372 22.422 1.00 18.29 H new ATOM 0 HA MET A 0 -11.616 11.237 24.221 1.00 18.26 H new ATOM 0 HB2 MET A 0 -11.268 12.376 21.443 1.00 19.12 H new ATOM 0 HB3 MET A 0 -12.839 11.972 22.106 1.00 19.12 H new ATOM 0 HG2 MET A 0 -10.840 13.915 23.346 1.00 20.04 H new ATOM 0 HG3 MET A 0 -12.266 14.371 22.436 1.00 20.04 H new ATOM 0 HE1 MET A 0 -13.026 15.434 26.190 1.00 21.68 H new ATOM 0 HE2 MET A 0 -11.425 15.392 25.415 1.00 21.68 H new ATOM 0 HE3 MET A 0 -12.832 16.011 24.518 1.00 21.68 H new ATOM 20 N ARG A 1 -10.935 9.390 21.556 1.00 16.89 N ATOM 21 CA ARG A 1 -11.043 8.049 20.988 1.00 16.19 C ATOM 22 C ARG A 1 -10.467 7.010 21.964 1.00 15.01 C ATOM 23 O ARG A 1 -9.286 6.673 21.893 1.00 14.31 O ATOM 24 CB ARG A 1 -10.303 8.028 19.640 1.00 16.39 C ATOM 25 CG ARG A 1 -10.448 6.711 18.861 1.00 16.29 C ATOM 26 CD ARG A 1 -11.698 6.687 17.967 1.00 17.43 C ATOM 27 NE ARG A 1 -11.670 5.544 17.035 1.00 17.67 N ATOM 28 CZ ARG A 1 -10.910 5.464 15.927 1.00 18.17 C ATOM 29 NH1 ARG A 1 -10.093 6.473 15.601 1.00 18.77 N ATOM 30 NH2 ARG A 1 -10.965 4.374 15.154 1.00 18.38 N ATOM 0 H ARG A 1 -10.371 10.024 20.990 1.00 16.89 H new ATOM 0 HA ARG A 1 -12.089 7.792 20.822 1.00 16.19 H new ATOM 0 HB2 ARG A 1 -10.674 8.845 19.022 1.00 16.39 H new ATOM 0 HB3 ARG A 1 -9.244 8.218 19.817 1.00 16.39 H new ATOM 0 HG2 ARG A 1 -9.562 6.559 18.245 1.00 16.29 H new ATOM 0 HG3 ARG A 1 -10.493 5.880 19.565 1.00 16.29 H new ATOM 0 HD2 ARG A 1 -12.591 6.630 18.589 1.00 17.43 H new ATOM 0 HD3 ARG A 1 -11.762 7.617 17.403 1.00 17.43 H new ATOM 0 HE ARG A 1 -12.275 4.751 17.247 1.00 17.67 H new ATOM 0 HH11 ARG A 1 -10.046 7.303 16.192 1.00 18.77 H new ATOM 0 HH12 ARG A 1 -9.517 6.412 14.761 1.00 18.77 H new ATOM 0 HH21 ARG A 1 -11.583 3.602 15.404 1.00 18.38 H new ATOM 0 HH22 ARG A 1 -10.389 4.314 14.315 1.00 18.38 H new ATOM 44 N LYS A 2 -11.288 6.512 22.889 1.00 15.14 N ATOM 45 CA LYS A 2 -10.886 5.468 23.817 1.00 14.49 C ATOM 46 C LYS A 2 -10.584 4.186 23.031 1.00 13.25 C ATOM 47 O LYS A 2 -11.509 3.521 22.578 1.00 13.57 O ATOM 48 CB LYS A 2 -11.987 5.251 24.871 1.00 15.87 C ATOM 49 CG LYS A 2 -11.496 4.386 26.044 1.00 15.91 C ATOM 50 CD LYS A 2 -10.678 5.216 27.051 1.00 16.81 C ATOM 51 CE LYS A 2 -9.450 4.476 27.601 1.00 16.50 C ATOM 52 NZ LYS A 2 -9.799 3.234 28.324 1.00 16.77 N ATOM 0 H LYS A 2 -12.251 6.825 23.012 1.00 15.14 H new ATOM 0 HA LYS A 2 -9.981 5.762 24.348 1.00 14.49 H new ATOM 0 HB2 LYS A 2 -12.324 6.217 25.248 1.00 15.87 H new ATOM 0 HB3 LYS A 2 -12.848 4.774 24.403 1.00 15.87 H new ATOM 0 HG2 LYS A 2 -12.351 3.937 26.550 1.00 15.91 H new ATOM 0 HG3 LYS A 2 -10.885 3.568 25.664 1.00 15.91 H new ATOM 0 HD2 LYS A 2 -10.351 6.138 26.569 1.00 16.81 H new ATOM 0 HD3 LYS A 2 -11.322 5.502 27.882 1.00 16.81 H new ATOM 0 HE2 LYS A 2 -8.779 4.234 26.777 1.00 16.50 H new ATOM 0 HE3 LYS A 2 -8.904 5.139 28.272 1.00 16.50 H new ATOM 0 HZ1 LYS A 2 -8.931 2.779 28.672 1.00 16.77 H new ATOM 0 HZ2 LYS A 2 -10.416 3.463 29.129 1.00 16.77 H new ATOM 0 HZ3 LYS A 2 -10.296 2.586 27.680 1.00 16.77 H new ATOM 66 N ARG A 3 -9.293 3.850 22.904 1.00 12.12 N ATOM 67 CA ARG A 3 -8.758 2.717 22.152 1.00 11.01 C ATOM 68 C ARG A 3 -8.781 2.999 20.646 1.00 10.62 C ATOM 69 O ARG A 3 -9.814 3.335 20.071 1.00 11.34 O ATOM 70 CB ARG A 3 -9.412 1.375 22.539 1.00 11.21 C ATOM 71 CG ARG A 3 -8.864 0.193 21.723 1.00 10.71 C ATOM 72 CD ARG A 3 -9.291 -1.134 22.370 1.00 11.11 C ATOM 73 NE ARG A 3 -9.400 -2.305 21.469 1.00 11.56 N ATOM 74 CZ ARG A 3 -8.540 -2.764 20.539 1.00 11.52 C ATOM 75 NH1 ARG A 3 -7.556 -1.997 20.060 1.00 11.11 N ATOM 76 NH2 ARG A 3 -8.675 -4.013 20.080 1.00 12.27 N ATOM 0 H ARG A 3 -8.556 4.396 23.350 1.00 12.12 H new ATOM 0 HA ARG A 3 -7.712 2.601 22.434 1.00 11.01 H new ATOM 0 HB2 ARG A 3 -9.247 1.187 23.600 1.00 11.21 H new ATOM 0 HB3 ARG A 3 -10.490 1.445 22.392 1.00 11.21 H new ATOM 0 HG2 ARG A 3 -9.235 0.244 20.699 1.00 10.71 H new ATOM 0 HG3 ARG A 3 -7.777 0.249 21.671 1.00 10.71 H new ATOM 0 HD2 ARG A 3 -8.577 -1.375 23.157 1.00 11.11 H new ATOM 0 HD3 ARG A 3 -10.257 -0.983 22.852 1.00 11.11 H new ATOM 0 HE ARG A 3 -10.258 -2.847 21.568 1.00 11.56 H new ATOM 0 HH11 ARG A 3 -7.444 -1.041 20.398 1.00 11.11 H new ATOM 0 HH12 ARG A 3 -6.917 -2.367 19.356 1.00 11.11 H new ATOM 0 HH21 ARG A 3 -9.424 -4.608 20.434 1.00 12.27 H new ATOM 0 HH22 ARG A 3 -8.029 -4.370 19.376 1.00 12.27 H new ATOM 90 N GLY A 4 -7.618 2.850 20.003 1.00 9.76 N ATOM 91 CA GLY A 4 -7.451 3.103 18.581 1.00 9.60 C ATOM 92 C GLY A 4 -5.969 3.257 18.249 1.00 8.13 C ATOM 93 O GLY A 4 -5.528 4.317 17.817 1.00 8.51 O ATOM 0 H GLY A 4 -6.761 2.547 20.466 1.00 9.76 H new ATOM 0 HA2 GLY A 4 -7.878 2.282 18.005 1.00 9.60 H new ATOM 0 HA3 GLY A 4 -7.991 4.006 18.298 1.00 9.60 H new ATOM 97 N ARG A 5 -5.200 2.183 18.461 1.00 6.76 N ATOM 98 CA ARG A 5 -3.858 2.060 17.899 1.00 5.54 C ATOM 99 C ARG A 5 -3.968 1.922 16.377 1.00 4.89 C ATOM 100 O ARG A 5 -5.068 1.796 15.844 1.00 5.20 O ATOM 101 CB ARG A 5 -3.159 0.834 18.512 1.00 5.00 C ATOM 102 CG ARG A 5 -2.543 1.149 19.884 1.00 5.40 C ATOM 103 CD ARG A 5 -1.075 1.609 19.784 1.00 6.18 C ATOM 104 NE ARG A 5 -0.171 0.691 20.506 1.00 5.86 N ATOM 105 CZ ARG A 5 -0.020 0.635 21.840 1.00 6.58 C ATOM 106 NH1 ARG A 5 -0.668 1.508 22.619 1.00 7.94 N ATOM 107 NH2 ARG A 5 0.761 -0.302 22.392 1.00 6.55 N ATOM 0 H ARG A 5 -5.491 1.383 19.023 1.00 6.76 H new ATOM 0 HA ARG A 5 -3.266 2.945 18.131 1.00 5.54 H new ATOM 0 HB2 ARG A 5 -3.878 0.021 18.615 1.00 5.00 H new ATOM 0 HB3 ARG A 5 -2.379 0.486 17.835 1.00 5.00 H new ATOM 0 HG2 ARG A 5 -3.131 1.926 20.372 1.00 5.40 H new ATOM 0 HG3 ARG A 5 -2.600 0.263 20.516 1.00 5.40 H new ATOM 0 HD2 ARG A 5 -0.780 1.663 18.736 1.00 6.18 H new ATOM 0 HD3 ARG A 5 -0.979 2.614 20.194 1.00 6.18 H new ATOM 0 HE ARG A 5 0.385 0.046 19.945 1.00 5.86 H new ATOM 0 HH11 ARG A 5 -1.274 2.213 22.200 1.00 7.94 H new ATOM 0 HH12 ARG A 5 -0.556 1.469 23.632 1.00 7.94 H new ATOM 0 HH21 ARG A 5 1.244 -0.977 21.799 1.00 6.55 H new ATOM 0 HH22 ARG A 5 0.873 -0.341 23.405 1.00 6.55 H new ATOM 121 N GLN A 6 -2.813 1.931 15.706 1.00 4.29 N ATOM 122 CA GLN A 6 -2.660 1.801 14.263 1.00 4.00 C ATOM 123 C GLN A 6 -3.254 0.476 13.772 1.00 3.02 C ATOM 124 O GLN A 6 -4.455 0.371 13.544 1.00 3.16 O ATOM 125 CB GLN A 6 -1.158 1.915 13.921 1.00 4.21 C ATOM 126 CG GLN A 6 -0.642 3.352 13.928 1.00 5.13 C ATOM 127 CD GLN A 6 -0.871 4.081 15.251 1.00 5.79 C ATOM 128 OE1 GLN A 6 -0.653 3.518 16.323 1.00 6.36 O ATOM 129 NE2 GLN A 6 -1.350 5.320 15.193 1.00 6.52 N ATOM 0 H GLN A 6 -1.917 2.035 16.183 1.00 4.29 H new ATOM 0 HA GLN A 6 -3.204 2.597 13.754 1.00 4.00 H new ATOM 0 HB2 GLN A 6 -0.584 1.327 14.638 1.00 4.21 H new ATOM 0 HB3 GLN A 6 -0.983 1.479 12.938 1.00 4.21 H new ATOM 0 HG2 GLN A 6 0.425 3.346 13.707 1.00 5.13 H new ATOM 0 HG3 GLN A 6 -1.131 3.908 13.128 1.00 5.13 H new ATOM 0 HE21 GLN A 6 -1.520 5.759 14.288 1.00 6.52 H new ATOM 0 HE22 GLN A 6 -1.547 5.831 16.053 1.00 6.52 H new ATOM 138 N THR A 7 -2.387 -0.526 13.601 1.00 2.29 N ATOM 139 CA THR A 7 -2.687 -1.804 12.962 1.00 1.69 C ATOM 140 C THR A 7 -3.456 -1.618 11.642 1.00 1.78 C ATOM 141 O THR A 7 -3.476 -0.526 11.074 1.00 2.88 O ATOM 142 CB THR A 7 -3.320 -2.798 13.962 1.00 1.87 C ATOM 143 OG1 THR A 7 -3.355 -4.096 13.397 1.00 2.30 O ATOM 144 CG2 THR A 7 -4.730 -2.442 14.444 1.00 2.73 C ATOM 0 H THR A 7 -1.419 -0.463 13.918 1.00 2.29 H new ATOM 0 HA THR A 7 -1.751 -2.274 12.660 1.00 1.69 H new ATOM 0 HB THR A 7 -2.677 -2.749 14.841 1.00 1.87 H new ATOM 0 HG1 THR A 7 -3.756 -4.721 14.037 1.00 2.30 H new ATOM 0 HG21 THR A 7 -5.080 -3.204 15.141 1.00 2.73 H new ATOM 0 HG22 THR A 7 -4.710 -1.474 14.945 1.00 2.73 H new ATOM 0 HG23 THR A 7 -5.405 -2.394 13.590 1.00 2.73 H new ATOM 152 N TYR A 8 -4.038 -2.699 11.121 1.00 0.99 N ATOM 153 CA TYR A 8 -4.812 -2.723 9.887 1.00 0.91 C ATOM 154 C TYR A 8 -5.899 -3.791 10.026 1.00 0.92 C ATOM 155 O TYR A 8 -5.785 -4.675 10.873 1.00 1.09 O ATOM 156 CB TYR A 8 -3.907 -3.041 8.682 1.00 0.76 C ATOM 157 CG TYR A 8 -2.532 -2.405 8.707 1.00 0.83 C ATOM 158 CD1 TYR A 8 -2.380 -1.034 8.430 1.00 1.89 C ATOM 159 CD2 TYR A 8 -1.437 -3.147 9.191 1.00 1.99 C ATOM 160 CE1 TYR A 8 -1.169 -0.388 8.735 1.00 1.78 C ATOM 161 CE2 TYR A 8 -0.227 -2.501 9.492 1.00 2.24 C ATOM 162 CZ TYR A 8 -0.110 -1.114 9.301 1.00 1.16 C ATOM 163 OH TYR A 8 1.049 -0.474 9.621 1.00 1.39 O ATOM 0 H TYR A 8 -3.979 -3.615 11.567 1.00 0.99 H new ATOM 0 HA TYR A 8 -5.262 -1.745 9.716 1.00 0.91 H new ATOM 0 HB2 TYR A 8 -3.786 -4.122 8.617 1.00 0.76 H new ATOM 0 HB3 TYR A 8 -4.418 -2.723 7.773 1.00 0.76 H new ATOM 0 HD1 TYR A 8 -3.192 -0.479 7.984 1.00 1.89 H new ATOM 0 HD2 TYR A 8 -1.528 -4.214 9.331 1.00 1.99 H new ATOM 0 HE1 TYR A 8 -1.054 0.667 8.534 1.00 1.78 H new ATOM 0 HE2 TYR A 8 0.611 -3.069 9.869 1.00 2.24 H new ATOM 0 HH TYR A 8 1.682 -1.116 10.004 1.00 1.39 H new ATOM 173 N THR A 9 -6.926 -3.748 9.174 1.00 0.89 N ATOM 174 CA THR A 9 -7.865 -4.851 9.025 1.00 0.91 C ATOM 175 C THR A 9 -7.283 -5.829 8.006 1.00 0.76 C ATOM 176 O THR A 9 -6.470 -5.457 7.160 1.00 0.63 O ATOM 177 CB THR A 9 -9.267 -4.324 8.667 1.00 1.01 C ATOM 178 OG1 THR A 9 -9.198 -3.214 7.796 1.00 1.27 O ATOM 179 CG2 THR A 9 -10.002 -3.872 9.933 1.00 0.90 C ATOM 0 H THR A 9 -7.126 -2.949 8.572 1.00 0.89 H new ATOM 0 HA THR A 9 -8.001 -5.391 9.962 1.00 0.91 H new ATOM 0 HB THR A 9 -9.797 -5.141 8.178 1.00 1.01 H new ATOM 0 HG1 THR A 9 -10.104 -2.905 7.587 1.00 1.27 H new ATOM 0 HG21 THR A 9 -10.992 -3.502 9.666 1.00 0.90 H new ATOM 0 HG22 THR A 9 -10.102 -4.715 10.616 1.00 0.90 H new ATOM 0 HG23 THR A 9 -9.436 -3.077 10.418 1.00 0.90 H new ATOM 187 N ARG A 10 -7.687 -7.100 8.087 1.00 0.81 N ATOM 188 CA ARG A 10 -7.226 -8.131 7.182 1.00 0.70 C ATOM 189 C ARG A 10 -7.431 -7.639 5.746 1.00 0.55 C ATOM 190 O ARG A 10 -6.509 -7.702 4.933 1.00 0.57 O ATOM 191 CB ARG A 10 -8.009 -9.417 7.496 1.00 0.92 C ATOM 192 CG ARG A 10 -7.243 -10.711 7.213 1.00 1.28 C ATOM 193 CD ARG A 10 -6.813 -10.838 5.752 1.00 1.61 C ATOM 194 NE ARG A 10 -5.438 -10.340 5.548 1.00 3.14 N ATOM 195 CZ ARG A 10 -4.348 -11.085 5.276 1.00 4.40 C ATOM 196 NH1 ARG A 10 -4.461 -12.312 4.755 1.00 4.75 N ATOM 197 NH2 ARG A 10 -3.130 -10.603 5.535 1.00 5.85 N ATOM 0 H ARG A 10 -8.347 -7.434 8.790 1.00 0.81 H new ATOM 0 HA ARG A 10 -6.165 -8.349 7.301 1.00 0.70 H new ATOM 0 HB2 ARG A 10 -8.299 -9.404 8.547 1.00 0.92 H new ATOM 0 HB3 ARG A 10 -8.929 -9.419 6.912 1.00 0.92 H new ATOM 0 HG2 ARG A 10 -6.361 -10.752 7.851 1.00 1.28 H new ATOM 0 HG3 ARG A 10 -7.868 -11.563 7.478 1.00 1.28 H new ATOM 0 HD2 ARG A 10 -6.873 -11.882 5.443 1.00 1.61 H new ATOM 0 HD3 ARG A 10 -7.502 -10.278 5.119 1.00 1.61 H new ATOM 0 HE ARG A 10 -5.299 -9.332 5.620 1.00 3.14 H new ATOM 0 HH11 ARG A 10 -5.384 -12.699 4.557 1.00 4.75 H new ATOM 0 HH12 ARG A 10 -3.624 -12.861 4.556 1.00 4.75 H new ATOM 0 HH21 ARG A 10 -3.025 -9.672 5.938 1.00 5.85 H new ATOM 0 HH22 ARG A 10 -2.305 -11.166 5.330 1.00 5.85 H new ATOM 211 N TYR A 11 -8.632 -7.106 5.487 1.00 0.59 N ATOM 212 CA TYR A 11 -9.074 -6.615 4.184 1.00 0.62 C ATOM 213 C TYR A 11 -8.187 -5.469 3.692 1.00 0.60 C ATOM 214 O TYR A 11 -7.817 -5.410 2.521 1.00 0.64 O ATOM 215 CB TYR A 11 -10.539 -6.166 4.263 1.00 0.77 C ATOM 216 CG TYR A 11 -11.117 -5.819 2.905 1.00 0.93 C ATOM 217 CD1 TYR A 11 -11.519 -6.852 2.042 1.00 2.26 C ATOM 218 CD2 TYR A 11 -11.128 -4.488 2.446 1.00 1.63 C ATOM 219 CE1 TYR A 11 -11.909 -6.565 0.724 1.00 2.62 C ATOM 220 CE2 TYR A 11 -11.491 -4.201 1.119 1.00 1.59 C ATOM 221 CZ TYR A 11 -11.862 -5.243 0.252 1.00 1.58 C ATOM 222 OH TYR A 11 -12.213 -4.973 -1.033 1.00 1.96 O ATOM 0 H TYR A 11 -9.346 -7.003 6.209 1.00 0.59 H new ATOM 0 HA TYR A 11 -8.990 -7.430 3.465 1.00 0.62 H new ATOM 0 HB2 TYR A 11 -11.134 -6.959 4.715 1.00 0.77 H new ATOM 0 HB3 TYR A 11 -10.614 -5.298 4.918 1.00 0.77 H new ATOM 0 HD1 TYR A 11 -11.528 -7.873 2.394 1.00 2.26 H new ATOM 0 HD2 TYR A 11 -10.857 -3.685 3.116 1.00 1.63 H new ATOM 0 HE1 TYR A 11 -12.245 -7.360 0.074 1.00 2.62 H new ATOM 0 HE2 TYR A 11 -11.485 -3.180 0.766 1.00 1.59 H new ATOM 0 HH TYR A 11 -11.471 -4.521 -1.487 1.00 1.96 H new ATOM 232 N GLN A 12 -7.825 -4.575 4.610 1.00 0.59 N ATOM 233 CA GLN A 12 -6.886 -3.498 4.356 1.00 0.62 C ATOM 234 C GLN A 12 -5.628 -4.070 3.710 1.00 0.53 C ATOM 235 O GLN A 12 -5.212 -3.645 2.631 1.00 0.61 O ATOM 236 CB GLN A 12 -6.542 -2.851 5.700 1.00 0.69 C ATOM 237 CG GLN A 12 -6.085 -1.411 5.593 1.00 0.89 C ATOM 238 CD GLN A 12 -7.174 -0.457 5.121 1.00 2.62 C ATOM 239 OE1 GLN A 12 -6.865 0.475 4.395 1.00 4.16 O ATOM 240 NE2 GLN A 12 -8.433 -0.632 5.518 1.00 3.25 N ATOM 0 H GLN A 12 -8.185 -4.584 5.564 1.00 0.59 H new ATOM 0 HA GLN A 12 -7.316 -2.756 3.683 1.00 0.62 H new ATOM 0 HB2 GLN A 12 -7.418 -2.896 6.348 1.00 0.69 H new ATOM 0 HB3 GLN A 12 -5.758 -3.435 6.182 1.00 0.69 H new ATOM 0 HG2 GLN A 12 -5.722 -1.081 6.566 1.00 0.89 H new ATOM 0 HG3 GLN A 12 -5.243 -1.357 4.903 1.00 0.89 H new ATOM 0 HE21 GLN A 12 -8.672 -1.416 6.124 1.00 3.25 H new ATOM 0 HE22 GLN A 12 -9.158 0.018 5.216 1.00 3.25 H new ATOM 249 N THR A 13 -5.037 -5.062 4.386 1.00 0.45 N ATOM 250 CA THR A 13 -3.785 -5.633 3.916 1.00 0.45 C ATOM 251 C THR A 13 -4.070 -6.472 2.673 1.00 0.53 C ATOM 252 O THR A 13 -3.154 -6.698 1.900 1.00 0.81 O ATOM 253 CB THR A 13 -3.038 -6.380 5.042 1.00 0.48 C ATOM 254 OG1 THR A 13 -1.927 -5.620 5.494 1.00 0.54 O ATOM 255 CG2 THR A 13 -2.421 -7.716 4.647 1.00 0.59 C ATOM 0 H THR A 13 -5.403 -5.475 5.244 1.00 0.45 H new ATOM 0 HA THR A 13 -3.091 -4.845 3.623 1.00 0.45 H new ATOM 0 HB THR A 13 -3.819 -6.538 5.786 1.00 0.48 H new ATOM 0 HG1 THR A 13 -1.124 -6.182 5.494 1.00 0.54 H new ATOM 0 HG21 THR A 13 -1.921 -8.156 5.510 1.00 0.59 H new ATOM 0 HG22 THR A 13 -3.204 -8.390 4.299 1.00 0.59 H new ATOM 0 HG23 THR A 13 -1.695 -7.560 3.849 1.00 0.59 H new ATOM 263 N LEU A 14 -5.308 -6.919 2.433 1.00 0.47 N ATOM 264 CA LEU A 14 -5.637 -7.474 1.125 1.00 0.54 C ATOM 265 C LEU A 14 -5.505 -6.414 0.029 1.00 0.55 C ATOM 266 O LEU A 14 -4.741 -6.661 -0.899 1.00 0.62 O ATOM 267 CB LEU A 14 -6.993 -8.193 1.062 1.00 0.79 C ATOM 268 CG LEU A 14 -7.167 -9.355 2.055 1.00 1.55 C ATOM 269 CD1 LEU A 14 -8.405 -10.169 1.667 1.00 2.45 C ATOM 270 CD2 LEU A 14 -5.949 -10.282 2.124 1.00 2.48 C ATOM 0 H LEU A 14 -6.074 -6.907 3.107 1.00 0.47 H new ATOM 0 HA LEU A 14 -4.899 -8.256 0.945 1.00 0.54 H new ATOM 0 HB2 LEU A 14 -7.782 -7.462 1.241 1.00 0.79 H new ATOM 0 HB3 LEU A 14 -7.136 -8.576 0.051 1.00 0.79 H new ATOM 0 HG LEU A 14 -7.283 -8.913 3.045 1.00 1.55 H new ATOM 0 HD11 LEU A 14 -8.532 -10.994 2.368 1.00 2.45 H new ATOM 0 HD12 LEU A 14 -9.286 -9.528 1.697 1.00 2.45 H new ATOM 0 HD13 LEU A 14 -8.279 -10.565 0.659 1.00 2.45 H new ATOM 0 HD21 LEU A 14 -6.139 -11.079 2.843 1.00 2.48 H new ATOM 0 HD22 LEU A 14 -5.766 -10.716 1.141 1.00 2.48 H new ATOM 0 HD23 LEU A 14 -5.075 -9.711 2.437 1.00 2.48 H new ATOM 282 N GLU A 15 -6.194 -5.260 0.082 1.00 0.58 N ATOM 283 CA GLU A 15 -6.068 -4.324 -1.043 1.00 0.71 C ATOM 284 C GLU A 15 -4.653 -3.742 -1.153 1.00 0.68 C ATOM 285 O GLU A 15 -4.072 -3.776 -2.231 1.00 0.79 O ATOM 286 CB GLU A 15 -7.166 -3.261 -1.139 1.00 0.92 C ATOM 287 CG GLU A 15 -7.834 -3.283 -2.527 1.00 2.07 C ATOM 288 CD GLU A 15 -8.842 -4.415 -2.645 1.00 2.31 C ATOM 289 OE1 GLU A 15 -9.938 -4.252 -2.067 1.00 2.73 O ATOM 290 OE2 GLU A 15 -8.496 -5.424 -3.297 1.00 3.28 O ATOM 0 H GLU A 15 -6.807 -4.967 0.842 1.00 0.58 H new ATOM 0 HA GLU A 15 -6.236 -4.936 -1.929 1.00 0.71 H new ATOM 0 HB2 GLU A 15 -7.916 -3.436 -0.368 1.00 0.92 H new ATOM 0 HB3 GLU A 15 -6.740 -2.275 -0.952 1.00 0.92 H new ATOM 0 HG2 GLU A 15 -8.333 -2.331 -2.706 1.00 2.07 H new ATOM 0 HG3 GLU A 15 -7.071 -3.393 -3.297 1.00 2.07 H new ATOM 297 N LEU A 16 -3.998 -3.488 -0.018 1.00 0.57 N ATOM 298 CA LEU A 16 -2.540 -3.338 -0.028 1.00 0.61 C ATOM 299 C LEU A 16 -1.744 -4.497 -0.669 1.00 0.64 C ATOM 300 O LEU A 16 -0.973 -4.216 -1.594 1.00 0.69 O ATOM 301 CB LEU A 16 -1.955 -3.011 1.336 1.00 0.61 C ATOM 302 CG LEU A 16 -2.049 -1.587 1.867 1.00 0.53 C ATOM 303 CD1 LEU A 16 -3.013 -0.690 1.112 1.00 0.65 C ATOM 304 CD2 LEU A 16 -2.295 -1.584 3.371 1.00 0.46 C ATOM 0 H LEU A 16 -4.438 -3.384 0.896 1.00 0.57 H new ATOM 0 HA LEU A 16 -2.412 -2.480 -0.687 1.00 0.61 H new ATOM 0 HB2 LEU A 16 -2.437 -3.664 2.064 1.00 0.61 H new ATOM 0 HB3 LEU A 16 -0.900 -3.283 1.313 1.00 0.61 H new ATOM 0 HG LEU A 16 -1.075 -1.134 1.681 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -3.013 0.303 1.561 1.00 0.65 H new ATOM 0 HD12 LEU A 16 -2.702 -0.617 0.070 1.00 0.65 H new ATOM 0 HD13 LEU A 16 -4.017 -1.111 1.162 1.00 0.65 H new ATOM 0 HD21 LEU A 16 -2.358 -0.556 3.727 1.00 0.46 H new ATOM 0 HD22 LEU A 16 -3.230 -2.101 3.588 1.00 0.46 H new ATOM 0 HD23 LEU A 16 -1.473 -2.093 3.875 1.00 0.46 H new ATOM 316 N GLU A 17 -1.872 -5.764 -0.295 1.00 0.64 N ATOM 317 CA GLU A 17 -1.056 -6.807 -0.899 1.00 0.71 C ATOM 318 C GLU A 17 -1.418 -7.061 -2.367 1.00 0.79 C ATOM 319 O GLU A 17 -0.527 -7.137 -3.214 1.00 0.86 O ATOM 320 CB GLU A 17 -1.112 -8.092 -0.067 1.00 0.71 C ATOM 321 CG GLU A 17 -0.270 -8.158 1.211 1.00 1.08 C ATOM 322 CD GLU A 17 0.264 -9.569 1.449 1.00 1.23 C ATOM 323 OE1 GLU A 17 1.122 -9.974 0.625 1.00 2.08 O ATOM 324 OE2 GLU A 17 -0.195 -10.200 2.424 1.00 2.32 O ATOM 0 H GLU A 17 -2.526 -6.091 0.416 1.00 0.64 H new ATOM 0 HA GLU A 17 -0.026 -6.451 -0.900 1.00 0.71 H new ATOM 0 HB2 GLU A 17 -2.152 -8.266 0.209 1.00 0.71 H new ATOM 0 HB3 GLU A 17 -0.810 -8.919 -0.709 1.00 0.71 H new ATOM 0 HG2 GLU A 17 0.563 -7.459 1.137 1.00 1.08 H new ATOM 0 HG3 GLU A 17 -0.873 -7.846 2.064 1.00 1.08 H new ATOM 331 N LYS A 18 -2.701 -7.227 -2.692 1.00 0.88 N ATOM 332 CA LYS A 18 -3.110 -7.509 -4.063 1.00 1.08 C ATOM 333 C LYS A 18 -2.752 -6.339 -4.975 1.00 0.96 C ATOM 334 O LYS A 18 -2.346 -6.552 -6.117 1.00 0.98 O ATOM 335 CB LYS A 18 -4.587 -7.935 -4.137 1.00 1.35 C ATOM 336 CG LYS A 18 -5.585 -6.778 -3.996 1.00 1.62 C ATOM 337 CD LYS A 18 -6.034 -6.078 -5.293 1.00 2.63 C ATOM 338 CE LYS A 18 -6.878 -6.971 -6.215 1.00 3.12 C ATOM 339 NZ LYS A 18 -6.086 -7.579 -7.306 1.00 4.31 N ATOM 0 H LYS A 18 -3.470 -7.171 -2.025 1.00 0.88 H new ATOM 0 HA LYS A 18 -2.551 -8.368 -4.433 1.00 1.08 H new ATOM 0 HB2 LYS A 18 -4.761 -8.436 -5.089 1.00 1.35 H new ATOM 0 HB3 LYS A 18 -4.782 -8.666 -3.352 1.00 1.35 H new ATOM 0 HG2 LYS A 18 -6.473 -7.157 -3.491 1.00 1.62 H new ATOM 0 HG3 LYS A 18 -5.142 -6.027 -3.342 1.00 1.62 H new ATOM 0 HD2 LYS A 18 -6.610 -5.189 -5.035 1.00 2.63 H new ATOM 0 HD3 LYS A 18 -5.152 -5.740 -5.837 1.00 2.63 H new ATOM 0 HE2 LYS A 18 -7.340 -7.761 -5.624 1.00 3.12 H new ATOM 0 HE3 LYS A 18 -7.687 -6.380 -6.645 1.00 3.12 H new ATOM 0 HZ1 LYS A 18 -6.283 -7.080 -8.197 1.00 4.31 H new ATOM 0 HZ2 LYS A 18 -5.073 -7.503 -7.083 1.00 4.31 H new ATOM 0 HZ3 LYS A 18 -6.345 -8.581 -7.406 1.00 4.31 H new ATOM 353 N GLU A 19 -2.873 -5.111 -4.464 1.00 0.87 N ATOM 354 CA GLU A 19 -2.512 -3.935 -5.227 1.00 0.77 C ATOM 355 C GLU A 19 -1.007 -3.903 -5.458 1.00 0.65 C ATOM 356 O GLU A 19 -0.574 -3.641 -6.575 1.00 0.72 O ATOM 357 CB GLU A 19 -2.995 -2.658 -4.542 1.00 0.82 C ATOM 358 CG GLU A 19 -2.784 -1.436 -5.431 1.00 1.47 C ATOM 359 CD GLU A 19 -3.881 -1.308 -6.474 1.00 1.96 C ATOM 360 OE1 GLU A 19 -3.966 -2.159 -7.381 1.00 3.28 O ATOM 361 OE2 GLU A 19 -4.577 -0.273 -6.384 1.00 2.48 O ATOM 0 H GLU A 19 -3.219 -4.915 -3.525 1.00 0.87 H new ATOM 0 HA GLU A 19 -3.009 -3.987 -6.196 1.00 0.77 H new ATOM 0 HB2 GLU A 19 -4.053 -2.753 -4.296 1.00 0.82 H new ATOM 0 HB3 GLU A 19 -2.460 -2.523 -3.602 1.00 0.82 H new ATOM 0 HG2 GLU A 19 -2.760 -0.537 -4.815 1.00 1.47 H new ATOM 0 HG3 GLU A 19 -1.816 -1.509 -5.927 1.00 1.47 H new ATOM 368 N PHE A 20 -0.194 -4.185 -4.438 1.00 0.58 N ATOM 369 CA PHE A 20 1.255 -4.196 -4.615 1.00 0.62 C ATOM 370 C PHE A 20 1.671 -5.026 -5.834 1.00 0.70 C ATOM 371 O PHE A 20 2.521 -4.612 -6.621 1.00 0.75 O ATOM 372 CB PHE A 20 1.926 -4.738 -3.357 1.00 0.78 C ATOM 373 CG PHE A 20 3.430 -4.564 -3.370 1.00 1.08 C ATOM 374 CD1 PHE A 20 4.262 -5.527 -3.977 1.00 1.79 C ATOM 375 CD2 PHE A 20 4.001 -3.479 -2.685 1.00 2.44 C ATOM 376 CE1 PHE A 20 5.645 -5.506 -3.731 1.00 1.84 C ATOM 377 CE2 PHE A 20 5.387 -3.431 -2.484 1.00 2.59 C ATOM 378 CZ PHE A 20 6.191 -4.494 -2.922 1.00 1.44 C ATOM 0 H PHE A 20 -0.511 -4.406 -3.494 1.00 0.58 H new ATOM 0 HA PHE A 20 1.579 -3.170 -4.789 1.00 0.62 H new ATOM 0 HB2 PHE A 20 1.514 -4.231 -2.484 1.00 0.78 H new ATOM 0 HB3 PHE A 20 1.689 -5.797 -3.252 1.00 0.78 H new ATOM 0 HD1 PHE A 20 3.838 -6.277 -4.628 1.00 1.79 H new ATOM 0 HD2 PHE A 20 3.373 -2.683 -2.314 1.00 2.44 H new ATOM 0 HE1 PHE A 20 6.285 -6.263 -4.161 1.00 1.84 H new ATOM 0 HE2 PHE A 20 5.835 -2.579 -1.994 1.00 2.59 H new ATOM 0 HZ PHE A 20 7.232 -4.535 -2.637 1.00 1.44 H new ATOM 388 N HIS A 21 1.072 -6.210 -5.985 1.00 0.77 N ATOM 389 CA HIS A 21 1.347 -7.077 -7.121 1.00 0.88 C ATOM 390 C HIS A 21 0.883 -6.452 -8.447 1.00 0.76 C ATOM 391 O HIS A 21 1.492 -6.711 -9.481 1.00 0.88 O ATOM 392 CB HIS A 21 0.725 -8.457 -6.883 1.00 1.06 C ATOM 393 CG HIS A 21 1.225 -9.127 -5.624 1.00 2.23 C ATOM 394 ND1 HIS A 21 0.488 -9.373 -4.491 1.00 3.20 N ATOM 395 CD2 HIS A 21 2.502 -9.561 -5.383 1.00 3.58 C ATOM 396 CE1 HIS A 21 1.294 -9.967 -3.598 1.00 4.66 C ATOM 397 NE2 HIS A 21 2.547 -10.074 -4.080 1.00 4.91 N ATOM 0 H HIS A 21 0.390 -6.587 -5.327 1.00 0.77 H new ATOM 0 HA HIS A 21 2.426 -7.199 -7.210 1.00 0.88 H new ATOM 0 HB2 HIS A 21 -0.359 -8.355 -6.827 1.00 1.06 H new ATOM 0 HB3 HIS A 21 0.941 -9.098 -7.738 1.00 1.06 H new ATOM 0 HD1 HIS A 21 -0.497 -9.145 -4.353 1.00 3.20 H new ATOM 0 HD2 HIS A 21 3.329 -9.516 -6.076 1.00 3.58 H new ATOM 0 HE1 HIS A 21 0.980 -10.313 -2.624 1.00 4.66 H new ATOM 405 N PHE A 22 -0.176 -5.636 -8.429 1.00 0.63 N ATOM 406 CA PHE A 22 -0.649 -4.897 -9.586 1.00 0.61 C ATOM 407 C PHE A 22 0.296 -3.734 -9.916 1.00 0.57 C ATOM 408 O PHE A 22 0.581 -3.494 -11.087 1.00 0.93 O ATOM 409 CB PHE A 22 -2.080 -4.398 -9.318 1.00 0.69 C ATOM 410 CG PHE A 22 -3.221 -5.311 -9.740 1.00 0.86 C ATOM 411 CD1 PHE A 22 -3.070 -6.711 -9.776 1.00 2.14 C ATOM 412 CD2 PHE A 22 -4.437 -4.736 -10.153 1.00 2.04 C ATOM 413 CE1 PHE A 22 -4.078 -7.515 -10.339 1.00 2.20 C ATOM 414 CE2 PHE A 22 -5.448 -5.539 -10.711 1.00 2.13 C ATOM 415 CZ PHE A 22 -5.259 -6.927 -10.826 1.00 1.19 C ATOM 0 H PHE A 22 -0.733 -5.473 -7.590 1.00 0.63 H new ATOM 0 HA PHE A 22 -0.663 -5.556 -10.454 1.00 0.61 H new ATOM 0 HB2 PHE A 22 -2.177 -4.206 -8.249 1.00 0.69 H new ATOM 0 HB3 PHE A 22 -2.206 -3.442 -9.826 1.00 0.69 H new ATOM 0 HD1 PHE A 22 -2.179 -7.168 -9.371 1.00 2.14 H new ATOM 0 HD2 PHE A 22 -4.595 -3.673 -10.041 1.00 2.04 H new ATOM 0 HE1 PHE A 22 -3.945 -8.585 -10.397 1.00 2.20 H new ATOM 0 HE2 PHE A 22 -6.369 -5.089 -11.051 1.00 2.13 H new ATOM 0 HZ PHE A 22 -6.019 -7.540 -11.287 1.00 1.19 H new ATOM 425 N ASN A 23 0.769 -2.990 -8.909 1.00 0.61 N ATOM 426 CA ASN A 23 1.635 -1.831 -9.101 1.00 0.71 C ATOM 427 C ASN A 23 2.608 -1.656 -7.939 1.00 0.62 C ATOM 428 O ASN A 23 2.214 -1.503 -6.785 1.00 0.65 O ATOM 429 CB ASN A 23 0.834 -0.547 -9.366 1.00 0.95 C ATOM 430 CG ASN A 23 -0.300 -0.258 -8.383 1.00 1.80 C ATOM 431 OD1 ASN A 23 -1.452 -0.193 -8.791 1.00 2.79 O ATOM 432 ND2 ASN A 23 -0.011 -0.034 -7.105 1.00 3.21 N ATOM 0 H ASN A 23 0.556 -3.181 -7.930 1.00 0.61 H new ATOM 0 HA ASN A 23 2.227 -2.025 -9.995 1.00 0.71 H new ATOM 0 HB2 ASN A 23 1.523 0.298 -9.356 1.00 0.95 H new ATOM 0 HB3 ASN A 23 0.414 -0.604 -10.370 1.00 0.95 H new ATOM 0 HD21 ASN A 23 -0.755 0.196 -6.447 1.00 3.21 H new ATOM 0 HD22 ASN A 23 0.955 -0.093 -6.783 1.00 3.21 H new ATOM 439 N ARG A 24 3.902 -1.601 -8.254 1.00 0.76 N ATOM 440 CA ARG A 24 4.959 -1.489 -7.263 1.00 0.82 C ATOM 441 C ARG A 24 5.304 -0.024 -6.966 1.00 0.85 C ATOM 442 O ARG A 24 6.384 0.257 -6.448 1.00 1.38 O ATOM 443 CB ARG A 24 6.187 -2.236 -7.793 1.00 1.08 C ATOM 444 CG ARG A 24 7.017 -2.831 -6.653 1.00 1.32 C ATOM 445 CD ARG A 24 8.458 -3.131 -7.089 1.00 1.91 C ATOM 446 NE ARG A 24 8.588 -3.552 -8.497 1.00 2.46 N ATOM 447 CZ ARG A 24 8.182 -4.726 -9.009 1.00 3.26 C ATOM 448 NH1 ARG A 24 7.510 -5.589 -8.240 1.00 3.98 N ATOM 449 NH2 ARG A 24 8.449 -5.031 -10.283 1.00 4.56 N ATOM 0 H ARG A 24 4.244 -1.634 -9.215 1.00 0.76 H new ATOM 0 HA ARG A 24 4.622 -1.928 -6.324 1.00 0.82 H new ATOM 0 HB2 ARG A 24 5.868 -3.032 -8.466 1.00 1.08 H new ATOM 0 HB3 ARG A 24 6.805 -1.554 -8.377 1.00 1.08 H new ATOM 0 HG2 ARG A 24 7.029 -2.137 -5.813 1.00 1.32 H new ATOM 0 HG3 ARG A 24 6.546 -3.749 -6.302 1.00 1.32 H new ATOM 0 HD2 ARG A 24 9.067 -2.241 -6.930 1.00 1.91 H new ATOM 0 HD3 ARG A 24 8.864 -3.914 -6.448 1.00 1.91 H new ATOM 0 HE ARG A 24 9.026 -2.892 -9.140 1.00 2.46 H new ATOM 0 HH11 ARG A 24 7.307 -5.355 -7.268 1.00 3.98 H new ATOM 0 HH12 ARG A 24 7.200 -6.481 -8.625 1.00 3.98 H new ATOM 0 HH21 ARG A 24 8.962 -4.372 -10.868 1.00 4.56 H new ATOM 0 HH22 ARG A 24 8.140 -5.923 -10.669 1.00 4.56 H new ATOM 463 N TYR A 25 4.437 0.925 -7.317 1.00 0.81 N ATOM 464 CA TYR A 25 4.687 2.346 -7.141 1.00 0.81 C ATOM 465 C TYR A 25 3.333 2.975 -6.859 1.00 0.74 C ATOM 466 O TYR A 25 2.374 2.680 -7.571 1.00 0.84 O ATOM 467 CB TYR A 25 5.319 2.951 -8.410 1.00 1.04 C ATOM 468 CG TYR A 25 6.396 2.101 -9.059 1.00 1.36 C ATOM 469 CD1 TYR A 25 7.702 2.073 -8.535 1.00 1.72 C ATOM 470 CD2 TYR A 25 6.041 1.211 -10.089 1.00 2.79 C ATOM 471 CE1 TYR A 25 8.619 1.100 -8.978 1.00 1.78 C ATOM 472 CE2 TYR A 25 6.962 0.255 -10.549 1.00 3.27 C ATOM 473 CZ TYR A 25 8.241 0.182 -9.973 1.00 2.23 C ATOM 474 OH TYR A 25 9.076 -0.839 -10.313 1.00 2.74 O ATOM 0 H TYR A 25 3.530 0.720 -7.737 1.00 0.81 H new ATOM 0 HA TYR A 25 5.388 2.530 -6.327 1.00 0.81 H new ATOM 0 HB2 TYR A 25 4.530 3.131 -9.140 1.00 1.04 H new ATOM 0 HB3 TYR A 25 5.746 3.921 -8.157 1.00 1.04 H new ATOM 0 HD1 TYR A 25 8.001 2.798 -7.793 1.00 1.72 H new ATOM 0 HD2 TYR A 25 5.056 1.263 -10.528 1.00 2.79 H new ATOM 0 HE1 TYR A 25 9.611 1.059 -8.554 1.00 1.78 H new ATOM 0 HE2 TYR A 25 6.687 -0.422 -11.344 1.00 3.27 H new ATOM 0 HH TYR A 25 8.661 -1.381 -11.016 1.00 2.74 H new ATOM 484 N LEU A 26 3.242 3.812 -5.824 1.00 0.74 N ATOM 485 CA LEU A 26 2.089 4.648 -5.620 1.00 0.77 C ATOM 486 C LEU A 26 2.382 6.027 -6.211 1.00 0.73 C ATOM 487 O LEU A 26 3.542 6.395 -6.384 1.00 0.86 O ATOM 488 CB LEU A 26 1.737 4.705 -4.143 1.00 0.94 C ATOM 489 CG LEU A 26 1.215 3.351 -3.642 1.00 1.05 C ATOM 490 CD1 LEU A 26 0.650 3.554 -2.239 1.00 1.15 C ATOM 491 CD2 LEU A 26 0.103 2.694 -4.470 1.00 1.08 C ATOM 0 H LEU A 26 3.968 3.919 -5.115 1.00 0.74 H new ATOM 0 HA LEU A 26 1.217 4.237 -6.128 1.00 0.77 H new ATOM 0 HB2 LEU A 26 2.617 4.993 -3.568 1.00 0.94 H new ATOM 0 HB3 LEU A 26 0.982 5.473 -3.976 1.00 0.94 H new ATOM 0 HG LEU A 26 2.074 2.683 -3.703 1.00 1.05 H new ATOM 0 HD11 LEU A 26 0.271 2.605 -1.858 1.00 1.15 H new ATOM 0 HD12 LEU A 26 1.436 3.922 -1.580 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -0.162 4.280 -2.275 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -0.178 1.745 -4.013 1.00 1.08 H new ATOM 0 HD22 LEU A 26 -0.765 3.353 -4.502 1.00 1.08 H new ATOM 0 HD23 LEU A 26 0.461 2.517 -5.484 1.00 1.08 H new ATOM 503 N THR A 27 1.331 6.782 -6.521 1.00 0.85 N ATOM 504 CA THR A 27 1.396 8.151 -7.004 1.00 0.87 C ATOM 505 C THR A 27 0.323 8.915 -6.243 1.00 0.83 C ATOM 506 O THR A 27 -0.627 8.286 -5.769 1.00 0.83 O ATOM 507 CB THR A 27 1.119 8.186 -8.513 1.00 0.90 C ATOM 508 OG1 THR A 27 -0.116 7.556 -8.797 1.00 0.83 O ATOM 509 CG2 THR A 27 2.236 7.486 -9.290 1.00 1.07 C ATOM 0 H THR A 27 0.374 6.439 -6.438 1.00 0.85 H new ATOM 0 HA THR A 27 2.380 8.592 -6.845 1.00 0.87 H new ATOM 0 HB THR A 27 1.076 9.230 -8.823 1.00 0.90 H new ATOM 0 HG1 THR A 27 -0.284 7.585 -9.762 1.00 0.83 H new ATOM 0 HG21 THR A 27 2.016 7.524 -10.357 1.00 1.07 H new ATOM 0 HG22 THR A 27 3.184 7.988 -9.096 1.00 1.07 H new ATOM 0 HG23 THR A 27 2.305 6.446 -8.971 1.00 1.07 H new ATOM 517 N ARG A 28 0.465 10.242 -6.122 1.00 0.96 N ATOM 518 CA ARG A 28 -0.459 11.063 -5.347 1.00 0.99 C ATOM 519 C ARG A 28 -1.909 10.749 -5.702 1.00 0.91 C ATOM 520 O ARG A 28 -2.735 10.616 -4.804 1.00 0.97 O ATOM 521 CB ARG A 28 -0.147 12.556 -5.516 1.00 1.19 C ATOM 522 CG ARG A 28 -1.075 13.393 -4.619 1.00 1.27 C ATOM 523 CD ARG A 28 -0.485 14.778 -4.296 1.00 1.85 C ATOM 524 NE ARG A 28 -0.516 15.067 -2.850 1.00 2.75 N ATOM 525 CZ ARG A 28 0.153 14.389 -1.896 1.00 3.42 C ATOM 526 NH1 ARG A 28 0.966 13.380 -2.229 1.00 4.14 N ATOM 527 NH2 ARG A 28 -0.013 14.715 -0.609 1.00 4.47 N ATOM 0 H ARG A 28 1.222 10.769 -6.558 1.00 0.96 H new ATOM 0 HA ARG A 28 -0.322 10.817 -4.294 1.00 0.99 H new ATOM 0 HB2 ARG A 28 0.894 12.750 -5.257 1.00 1.19 H new ATOM 0 HB3 ARG A 28 -0.276 12.847 -6.558 1.00 1.19 H new ATOM 0 HG2 ARG A 28 -2.038 13.518 -5.113 1.00 1.27 H new ATOM 0 HG3 ARG A 28 -1.261 12.854 -3.690 1.00 1.27 H new ATOM 0 HD2 ARG A 28 0.544 14.827 -4.654 1.00 1.85 H new ATOM 0 HD3 ARG A 28 -1.045 15.545 -4.831 1.00 1.85 H new ATOM 0 HE ARG A 28 -1.095 15.849 -2.545 1.00 2.75 H new ATOM 0 HH11 ARG A 28 1.082 13.121 -3.209 1.00 4.14 H new ATOM 0 HH12 ARG A 28 1.470 12.870 -1.503 1.00 4.14 H new ATOM 0 HH21 ARG A 28 -0.644 15.474 -0.353 1.00 4.47 H new ATOM 0 HH22 ARG A 28 0.491 14.204 0.116 1.00 4.47 H new ATOM 541 N ARG A 29 -2.206 10.596 -6.998 1.00 0.86 N ATOM 542 CA ARG A 29 -3.527 10.169 -7.412 1.00 0.88 C ATOM 543 C ARG A 29 -3.896 8.849 -6.735 1.00 0.76 C ATOM 544 O ARG A 29 -4.719 8.846 -5.827 1.00 0.73 O ATOM 545 CB ARG A 29 -3.652 10.107 -8.943 1.00 1.01 C ATOM 546 CG ARG A 29 -5.062 9.598 -9.291 1.00 2.40 C ATOM 547 CD ARG A 29 -5.708 10.267 -10.509 1.00 2.88 C ATOM 548 NE ARG A 29 -7.163 10.341 -10.280 1.00 4.17 N ATOM 549 CZ ARG A 29 -7.933 11.439 -10.294 1.00 5.16 C ATOM 550 NH1 ARG A 29 -7.531 12.561 -10.902 1.00 5.36 N ATOM 551 NH2 ARG A 29 -9.108 11.392 -9.666 1.00 6.57 N ATOM 0 H ARG A 29 -1.551 10.762 -7.762 1.00 0.86 H new ATOM 0 HA ARG A 29 -4.250 10.916 -7.084 1.00 0.88 H new ATOM 0 HB2 ARG A 29 -3.486 11.092 -9.378 1.00 1.01 H new ATOM 0 HB3 ARG A 29 -2.895 9.443 -9.359 1.00 1.01 H new ATOM 0 HG2 ARG A 29 -5.011 8.524 -9.469 1.00 2.40 H new ATOM 0 HG3 ARG A 29 -5.710 9.747 -8.427 1.00 2.40 H new ATOM 0 HD2 ARG A 29 -5.296 11.265 -10.657 1.00 2.88 H new ATOM 0 HD3 ARG A 29 -5.495 9.697 -11.413 1.00 2.88 H new ATOM 0 HE ARG A 29 -7.637 9.458 -10.090 1.00 4.17 H new ATOM 0 HH11 ARG A 29 -6.623 12.592 -11.367 1.00 5.36 H new ATOM 0 HH12 ARG A 29 -8.132 13.385 -10.901 1.00 5.36 H new ATOM 0 HH21 ARG A 29 -9.399 10.537 -9.192 1.00 6.57 H new ATOM 0 HH22 ARG A 29 -9.716 12.211 -9.659 1.00 6.57 H new ATOM 565 N ARG A 30 -3.331 7.721 -7.174 1.00 0.83 N ATOM 566 CA ARG A 30 -3.874 6.429 -6.764 1.00 0.92 C ATOM 567 C ARG A 30 -3.766 6.198 -5.250 1.00 0.81 C ATOM 568 O ARG A 30 -4.643 5.590 -4.652 1.00 0.81 O ATOM 569 CB ARG A 30 -3.303 5.290 -7.604 1.00 1.24 C ATOM 570 CG ARG A 30 -1.942 4.791 -7.109 1.00 1.57 C ATOM 571 CD ARG A 30 -1.373 3.711 -8.039 1.00 2.39 C ATOM 572 NE ARG A 30 -2.431 2.820 -8.539 1.00 2.18 N ATOM 573 CZ ARG A 30 -3.111 1.898 -7.853 1.00 2.09 C ATOM 574 NH1 ARG A 30 -2.816 1.656 -6.580 1.00 3.30 N ATOM 575 NH2 ARG A 30 -4.117 1.241 -8.431 1.00 2.48 N ATOM 0 H ARG A 30 -2.523 7.677 -7.794 1.00 0.83 H new ATOM 0 HA ARG A 30 -4.945 6.445 -6.967 1.00 0.92 H new ATOM 0 HB2 ARG A 30 -4.008 4.459 -7.603 1.00 1.24 H new ATOM 0 HB3 ARG A 30 -3.205 5.624 -8.637 1.00 1.24 H new ATOM 0 HG2 ARG A 30 -1.245 5.627 -7.050 1.00 1.57 H new ATOM 0 HG3 ARG A 30 -2.044 4.389 -6.101 1.00 1.57 H new ATOM 0 HD2 ARG A 30 -0.866 4.184 -8.880 1.00 2.39 H new ATOM 0 HD3 ARG A 30 -0.625 3.126 -7.504 1.00 2.39 H new ATOM 0 HE ARG A 30 -2.674 2.918 -9.525 1.00 2.18 H new ATOM 0 HH11 ARG A 30 -2.067 2.176 -6.122 1.00 3.30 H new ATOM 0 HH12 ARG A 30 -3.339 0.951 -6.061 1.00 3.30 H new ATOM 0 HH21 ARG A 30 -4.368 1.442 -9.399 1.00 2.48 H new ATOM 0 HH22 ARG A 30 -4.635 0.537 -7.905 1.00 2.48 H new ATOM 589 N ARG A 31 -2.754 6.796 -4.622 1.00 0.77 N ATOM 590 CA ARG A 31 -2.676 7.028 -3.191 1.00 0.64 C ATOM 591 C ARG A 31 -3.885 7.801 -2.610 1.00 0.56 C ATOM 592 O ARG A 31 -4.497 7.287 -1.670 1.00 0.58 O ATOM 593 CB ARG A 31 -1.333 7.697 -2.935 1.00 0.81 C ATOM 594 CG ARG A 31 -0.926 7.930 -1.489 1.00 1.64 C ATOM 595 CD ARG A 31 -0.933 6.689 -0.590 1.00 2.58 C ATOM 596 NE ARG A 31 -2.262 6.292 -0.092 1.00 4.72 N ATOM 597 CZ ARG A 31 -2.990 6.942 0.833 1.00 6.47 C ATOM 598 NH1 ARG A 31 -2.737 8.224 1.093 1.00 6.83 N ATOM 599 NH2 ARG A 31 -3.963 6.324 1.509 1.00 8.22 N ATOM 0 H ARG A 31 -1.936 7.144 -5.122 1.00 0.77 H new ATOM 0 HA ARG A 31 -2.734 6.081 -2.654 1.00 0.64 H new ATOM 0 HB2 ARG A 31 -0.560 7.091 -3.408 1.00 0.81 H new ATOM 0 HB3 ARG A 31 -1.336 8.662 -3.443 1.00 0.81 H new ATOM 0 HG2 ARG A 31 0.076 8.359 -1.477 1.00 1.64 H new ATOM 0 HG3 ARG A 31 -1.596 8.673 -1.057 1.00 1.64 H new ATOM 0 HD2 ARG A 31 -0.504 5.854 -1.144 1.00 2.58 H new ATOM 0 HD3 ARG A 31 -0.281 6.873 0.264 1.00 2.58 H new ATOM 0 HE ARG A 31 -2.668 5.444 -0.486 1.00 4.72 H new ATOM 0 HH11 ARG A 31 -1.993 8.709 0.591 1.00 6.83 H new ATOM 0 HH12 ARG A 31 -3.287 8.720 1.794 1.00 6.83 H new ATOM 0 HH21 ARG A 31 -4.165 5.341 1.327 1.00 8.22 H new ATOM 0 HH22 ARG A 31 -4.504 6.835 2.207 1.00 8.22 H new ATOM 613 N ILE A 32 -4.296 8.963 -3.132 1.00 0.55 N ATOM 614 CA ILE A 32 -5.528 9.624 -2.669 1.00 0.59 C ATOM 615 C ILE A 32 -6.753 8.729 -2.897 1.00 0.65 C ATOM 616 O ILE A 32 -7.546 8.519 -1.976 1.00 0.69 O ATOM 617 CB ILE A 32 -5.710 11.017 -3.312 1.00 0.73 C ATOM 618 CG1 ILE A 32 -4.765 12.066 -2.693 1.00 0.84 C ATOM 619 CG2 ILE A 32 -7.163 11.518 -3.239 1.00 0.88 C ATOM 620 CD1 ILE A 32 -5.060 12.433 -1.232 1.00 2.27 C ATOM 0 H ILE A 32 -3.800 9.464 -3.869 1.00 0.55 H new ATOM 0 HA ILE A 32 -5.431 9.783 -1.595 1.00 0.59 H new ATOM 0 HB ILE A 32 -5.451 10.890 -4.363 1.00 0.73 H new ATOM 0 HG12 ILE A 32 -3.743 11.693 -2.758 1.00 0.84 H new ATOM 0 HG13 ILE A 32 -4.812 12.973 -3.295 1.00 0.84 H new ATOM 0 HG21 ILE A 32 -7.233 12.501 -3.705 1.00 0.88 H new ATOM 0 HG22 ILE A 32 -7.815 10.820 -3.764 1.00 0.88 H new ATOM 0 HG23 ILE A 32 -7.472 11.589 -2.196 1.00 0.88 H new ATOM 0 HD11 ILE A 32 -4.340 13.177 -0.891 1.00 2.27 H new ATOM 0 HD12 ILE A 32 -6.068 12.841 -1.156 1.00 2.27 H new ATOM 0 HD13 ILE A 32 -4.982 11.541 -0.610 1.00 2.27 H new ATOM 632 N GLU A 33 -6.860 8.133 -4.088 1.00 0.72 N ATOM 633 CA GLU A 33 -7.928 7.191 -4.391 1.00 0.79 C ATOM 634 C GLU A 33 -7.940 6.047 -3.349 1.00 0.77 C ATOM 635 O GLU A 33 -9.006 5.674 -2.859 1.00 0.87 O ATOM 636 CB GLU A 33 -7.822 6.667 -5.839 1.00 0.88 C ATOM 637 CG GLU A 33 -7.595 7.720 -6.951 1.00 1.83 C ATOM 638 CD GLU A 33 -8.827 8.477 -7.428 1.00 3.00 C ATOM 639 OE1 GLU A 33 -9.842 8.482 -6.704 1.00 4.03 O ATOM 640 OE2 GLU A 33 -8.707 9.088 -8.518 1.00 3.80 O ATOM 0 H GLU A 33 -6.212 8.291 -4.860 1.00 0.72 H new ATOM 0 HA GLU A 33 -8.884 7.710 -4.323 1.00 0.79 H new ATOM 0 HB2 GLU A 33 -7.004 5.948 -5.880 1.00 0.88 H new ATOM 0 HB3 GLU A 33 -8.737 6.122 -6.070 1.00 0.88 H new ATOM 0 HG2 GLU A 33 -6.866 8.446 -6.590 1.00 1.83 H new ATOM 0 HG3 GLU A 33 -7.148 7.219 -7.810 1.00 1.83 H new ATOM 647 N ILE A 34 -6.773 5.538 -2.929 1.00 0.71 N ATOM 648 CA ILE A 34 -6.702 4.363 -2.058 1.00 0.73 C ATOM 649 C ILE A 34 -7.066 4.768 -0.635 1.00 0.72 C ATOM 650 O ILE A 34 -7.729 4.008 0.074 1.00 0.70 O ATOM 651 CB ILE A 34 -5.332 3.649 -2.167 1.00 0.77 C ATOM 652 CG1 ILE A 34 -5.414 2.342 -2.974 1.00 1.09 C ATOM 653 CG2 ILE A 34 -4.702 3.295 -0.821 1.00 1.35 C ATOM 654 CD1 ILE A 34 -4.134 2.129 -3.801 1.00 1.88 C ATOM 0 H ILE A 34 -5.864 5.926 -3.181 1.00 0.71 H new ATOM 0 HA ILE A 34 -7.431 3.622 -2.386 1.00 0.73 H new ATOM 0 HB ILE A 34 -4.708 4.385 -2.674 1.00 0.77 H new ATOM 0 HG12 ILE A 34 -5.559 1.500 -2.297 1.00 1.09 H new ATOM 0 HG13 ILE A 34 -6.279 2.372 -3.636 1.00 1.09 H new ATOM 0 HG21 ILE A 34 -3.746 2.798 -0.986 1.00 1.35 H new ATOM 0 HG22 ILE A 34 -4.543 4.205 -0.243 1.00 1.35 H new ATOM 0 HG23 ILE A 34 -5.367 2.628 -0.272 1.00 1.35 H new ATOM 0 HD11 ILE A 34 -4.215 1.199 -4.363 1.00 1.88 H new ATOM 0 HD12 ILE A 34 -4.005 2.961 -4.493 1.00 1.88 H new ATOM 0 HD13 ILE A 34 -3.274 2.076 -3.133 1.00 1.88 H new ATOM 666 N ALA A 35 -6.617 5.959 -0.220 1.00 0.75 N ATOM 667 CA ALA A 35 -6.970 6.516 1.074 1.00 0.81 C ATOM 668 C ALA A 35 -8.481 6.466 1.250 1.00 0.83 C ATOM 669 O ALA A 35 -8.977 5.926 2.240 1.00 0.93 O ATOM 670 CB ALA A 35 -6.476 7.966 1.181 1.00 0.93 C ATOM 0 H ALA A 35 -6.002 6.554 -0.775 1.00 0.75 H new ATOM 0 HA ALA A 35 -6.494 5.929 1.859 1.00 0.81 H new ATOM 0 HB1 ALA A 35 -6.747 8.372 2.156 1.00 0.93 H new ATOM 0 HB2 ALA A 35 -5.392 7.991 1.066 1.00 0.93 H new ATOM 0 HB3 ALA A 35 -6.937 8.566 0.397 1.00 0.93 H new ATOM 676 N HIS A 36 -9.191 7.019 0.264 1.00 0.78 N ATOM 677 CA HIS A 36 -10.638 7.135 0.330 1.00 0.87 C ATOM 678 C HIS A 36 -11.277 5.758 0.195 1.00 0.88 C ATOM 679 O HIS A 36 -12.239 5.458 0.893 1.00 1.13 O ATOM 680 CB HIS A 36 -11.147 8.131 -0.720 1.00 1.03 C ATOM 681 CG HIS A 36 -10.904 9.586 -0.377 1.00 1.40 C ATOM 682 ND1 HIS A 36 -11.657 10.646 -0.829 1.00 2.51 N ATOM 683 CD2 HIS A 36 -9.974 10.091 0.496 1.00 2.62 C ATOM 684 CE1 HIS A 36 -11.183 11.761 -0.248 1.00 3.49 C ATOM 685 NE2 HIS A 36 -10.157 11.475 0.568 1.00 3.71 N ATOM 0 H HIS A 36 -8.779 7.393 -0.591 1.00 0.78 H new ATOM 0 HA HIS A 36 -10.929 7.532 1.303 1.00 0.87 H new ATOM 0 HB2 HIS A 36 -10.667 7.911 -1.674 1.00 1.03 H new ATOM 0 HB3 HIS A 36 -12.217 7.978 -0.859 1.00 1.03 H new ATOM 0 HD2 HIS A 36 -9.231 9.520 1.033 1.00 2.62 H new ATOM 0 HE1 HIS A 36 -11.575 12.753 -0.415 1.00 3.49 H new ATOM 0 HE2 HIS A 36 -9.618 12.135 1.129 1.00 3.71 H new ATOM 693 N ALA A 37 -10.730 4.920 -0.688 1.00 0.84 N ATOM 694 CA ALA A 37 -11.221 3.567 -0.889 1.00 0.88 C ATOM 695 C ALA A 37 -11.182 2.750 0.407 1.00 0.86 C ATOM 696 O ALA A 37 -12.230 2.333 0.893 1.00 1.07 O ATOM 697 CB ALA A 37 -10.439 2.893 -2.017 1.00 0.89 C ATOM 0 H ALA A 37 -9.936 5.165 -1.280 1.00 0.84 H new ATOM 0 HA ALA A 37 -12.269 3.618 -1.184 1.00 0.88 H new ATOM 0 HB1 ALA A 37 -10.812 1.879 -2.163 1.00 0.89 H new ATOM 0 HB2 ALA A 37 -10.566 3.462 -2.938 1.00 0.89 H new ATOM 0 HB3 ALA A 37 -9.381 2.857 -1.755 1.00 0.89 H new ATOM 703 N LEU A 38 -9.992 2.476 0.959 1.00 0.73 N ATOM 704 CA LEU A 38 -9.876 1.564 2.089 1.00 0.86 C ATOM 705 C LEU A 38 -9.967 2.245 3.470 1.00 0.93 C ATOM 706 O LEU A 38 -10.024 1.532 4.473 1.00 1.74 O ATOM 707 CB LEU A 38 -8.553 0.814 2.009 1.00 1.02 C ATOM 708 CG LEU A 38 -8.379 -0.381 1.073 1.00 1.31 C ATOM 709 CD1 LEU A 38 -8.619 -0.107 -0.406 1.00 2.71 C ATOM 710 CD2 LEU A 38 -6.933 -0.846 1.262 1.00 1.34 C ATOM 0 H LEU A 38 -9.108 2.872 0.640 1.00 0.73 H new ATOM 0 HA LEU A 38 -10.730 0.891 2.011 1.00 0.86 H new ATOM 0 HB2 LEU A 38 -7.789 1.543 1.740 1.00 1.02 H new ATOM 0 HB3 LEU A 38 -8.322 0.467 3.016 1.00 1.02 H new ATOM 0 HG LEU A 38 -9.135 -1.120 1.337 1.00 1.31 H new ATOM 0 HD11 LEU A 38 -8.468 -1.024 -0.975 1.00 2.71 H new ATOM 0 HD12 LEU A 38 -9.641 0.245 -0.550 1.00 2.71 H new ATOM 0 HD13 LEU A 38 -7.921 0.655 -0.753 1.00 2.71 H new ATOM 0 HD21 LEU A 38 -6.739 -1.704 0.618 1.00 1.34 H new ATOM 0 HD22 LEU A 38 -6.253 -0.035 1.001 1.00 1.34 H new ATOM 0 HD23 LEU A 38 -6.775 -1.131 2.302 1.00 1.34 H new ATOM 722 N CYS A 39 -9.928 3.584 3.552 1.00 0.74 N ATOM 723 CA CYS A 39 -10.045 4.351 4.801 1.00 0.77 C ATOM 724 C CYS A 39 -8.751 4.280 5.621 1.00 0.82 C ATOM 725 O CYS A 39 -8.748 3.987 6.814 1.00 1.14 O ATOM 726 CB CYS A 39 -11.298 3.981 5.614 1.00 1.01 C ATOM 727 SG CYS A 39 -12.787 4.166 4.599 1.00 3.09 S ATOM 0 H CYS A 39 -9.811 4.178 2.731 1.00 0.74 H new ATOM 0 HA CYS A 39 -10.186 5.396 4.525 1.00 0.77 H new ATOM 0 HB2 CYS A 39 -11.218 2.954 5.970 1.00 1.01 H new ATOM 0 HB3 CYS A 39 -11.369 4.619 6.495 1.00 1.01 H new ATOM 0 HG CYS A 39 -13.833 3.847 5.301 1.00 3.09 H new ATOM 733 N LEU A 40 -7.657 4.601 4.935 1.00 0.60 N ATOM 734 CA LEU A 40 -6.245 4.669 5.311 1.00 0.57 C ATOM 735 C LEU A 40 -5.622 5.983 4.762 1.00 0.57 C ATOM 736 O LEU A 40 -6.334 6.828 4.230 1.00 0.58 O ATOM 737 CB LEU A 40 -5.550 3.420 4.741 1.00 0.70 C ATOM 738 CG LEU A 40 -5.202 2.363 5.799 1.00 0.72 C ATOM 739 CD1 LEU A 40 -6.318 1.977 6.779 1.00 1.11 C ATOM 740 CD2 LEU A 40 -4.271 1.282 5.224 1.00 0.84 C ATOM 0 H LEU A 40 -7.758 4.858 3.953 1.00 0.60 H new ATOM 0 HA LEU A 40 -6.120 4.683 6.394 1.00 0.57 H new ATOM 0 HB2 LEU A 40 -6.197 2.968 3.989 1.00 0.70 H new ATOM 0 HB3 LEU A 40 -4.636 3.726 4.233 1.00 0.70 H new ATOM 0 HG LEU A 40 -4.579 2.838 6.557 1.00 0.72 H new ATOM 0 HD11 LEU A 40 -5.947 1.224 7.474 1.00 1.11 H new ATOM 0 HD12 LEU A 40 -6.635 2.859 7.335 1.00 1.11 H new ATOM 0 HD13 LEU A 40 -7.165 1.573 6.225 1.00 1.11 H new ATOM 0 HD21 LEU A 40 -4.043 0.549 5.998 1.00 0.84 H new ATOM 0 HD22 LEU A 40 -4.763 0.786 4.387 1.00 0.84 H new ATOM 0 HD23 LEU A 40 -3.346 1.744 4.879 1.00 0.84 H new ATOM 752 N THR A 41 -4.303 6.194 4.910 1.00 0.73 N ATOM 753 CA THR A 41 -3.598 7.483 4.809 1.00 0.69 C ATOM 754 C THR A 41 -2.213 7.329 4.159 1.00 0.62 C ATOM 755 O THR A 41 -1.681 6.226 4.069 1.00 0.72 O ATOM 756 CB THR A 41 -3.438 8.103 6.215 1.00 0.84 C ATOM 757 OG1 THR A 41 -3.385 7.095 7.202 1.00 1.22 O ATOM 758 CG2 THR A 41 -4.584 9.061 6.549 1.00 1.06 C ATOM 0 H THR A 41 -3.664 5.426 5.115 1.00 0.73 H new ATOM 0 HA THR A 41 -4.197 8.137 4.175 1.00 0.69 H new ATOM 0 HB THR A 41 -2.504 8.664 6.207 1.00 0.84 H new ATOM 0 HG1 THR A 41 -2.713 7.331 7.875 1.00 1.22 H new ATOM 0 HG21 THR A 41 -4.433 9.475 7.546 1.00 1.06 H new ATOM 0 HG22 THR A 41 -4.606 9.870 5.819 1.00 1.06 H new ATOM 0 HG23 THR A 41 -5.530 8.521 6.520 1.00 1.06 H new ATOM 766 N GLU A 42 -1.620 8.453 3.731 1.00 0.67 N ATOM 767 CA GLU A 42 -0.360 8.517 2.985 1.00 0.77 C ATOM 768 C GLU A 42 0.786 8.025 3.849 1.00 0.77 C ATOM 769 O GLU A 42 1.453 7.044 3.530 1.00 0.92 O ATOM 770 CB GLU A 42 -0.144 9.972 2.506 1.00 1.02 C ATOM 771 CG GLU A 42 1.225 10.306 1.886 1.00 2.31 C ATOM 772 CD GLU A 42 1.380 9.793 0.466 1.00 3.15 C ATOM 773 OE1 GLU A 42 1.652 8.581 0.349 1.00 4.22 O ATOM 774 OE2 GLU A 42 1.213 10.625 -0.459 1.00 3.70 O ATOM 0 H GLU A 42 -2.021 9.375 3.902 1.00 0.67 H new ATOM 0 HA GLU A 42 -0.400 7.866 2.111 1.00 0.77 H new ATOM 0 HB2 GLU A 42 -0.915 10.205 1.771 1.00 1.02 H new ATOM 0 HB3 GLU A 42 -0.302 10.636 3.356 1.00 1.02 H new ATOM 0 HG2 GLU A 42 1.365 11.387 1.892 1.00 2.31 H new ATOM 0 HG3 GLU A 42 2.012 9.879 2.508 1.00 2.31 H new ATOM 781 N ARG A 43 0.970 8.703 4.978 1.00 0.72 N ATOM 782 CA ARG A 43 2.013 8.425 5.946 1.00 0.82 C ATOM 783 C ARG A 43 2.091 6.929 6.254 1.00 0.80 C ATOM 784 O ARG A 43 3.181 6.356 6.200 1.00 0.89 O ATOM 785 CB ARG A 43 1.744 9.276 7.194 1.00 0.87 C ATOM 786 CG ARG A 43 1.905 10.779 6.886 1.00 2.07 C ATOM 787 CD ARG A 43 3.202 11.350 7.471 1.00 3.08 C ATOM 788 NE ARG A 43 4.362 10.523 7.094 1.00 4.00 N ATOM 789 CZ ARG A 43 5.295 10.049 7.938 1.00 4.91 C ATOM 790 NH1 ARG A 43 5.438 10.579 9.156 1.00 5.37 N ATOM 791 NH2 ARG A 43 6.076 9.033 7.554 1.00 6.01 N ATOM 0 H ARG A 43 0.375 9.486 5.248 1.00 0.72 H new ATOM 0 HA ARG A 43 2.990 8.693 5.544 1.00 0.82 H new ATOM 0 HB2 ARG A 43 0.736 9.082 7.560 1.00 0.87 H new ATOM 0 HB3 ARG A 43 2.432 8.989 7.989 1.00 0.87 H new ATOM 0 HG2 ARG A 43 1.897 10.931 5.807 1.00 2.07 H new ATOM 0 HG3 ARG A 43 1.053 11.325 7.291 1.00 2.07 H new ATOM 0 HD2 ARG A 43 3.347 12.370 7.115 1.00 3.08 H new ATOM 0 HD3 ARG A 43 3.124 11.400 8.557 1.00 3.08 H new ATOM 0 HE ARG A 43 4.466 10.290 6.106 1.00 4.00 H new ATOM 0 HH11 ARG A 43 4.837 11.349 9.451 1.00 5.37 H new ATOM 0 HH12 ARG A 43 6.148 10.214 9.791 1.00 5.37 H new ATOM 0 HH21 ARG A 43 5.961 8.624 6.627 1.00 6.01 H new ATOM 0 HH22 ARG A 43 6.786 8.668 8.188 1.00 6.01 H new ATOM 805 N GLN A 44 0.945 6.293 6.520 1.00 0.74 N ATOM 806 CA GLN A 44 0.925 4.886 6.891 1.00 0.74 C ATOM 807 C GLN A 44 1.065 3.974 5.670 1.00 0.70 C ATOM 808 O GLN A 44 1.806 2.994 5.730 1.00 0.72 O ATOM 809 CB GLN A 44 -0.273 4.565 7.800 1.00 0.97 C ATOM 810 CG GLN A 44 -1.494 3.955 7.103 1.00 1.10 C ATOM 811 CD GLN A 44 -2.600 3.684 8.117 1.00 1.71 C ATOM 812 OE1 GLN A 44 -2.876 2.540 8.455 1.00 2.77 O ATOM 813 NE2 GLN A 44 -3.245 4.736 8.609 1.00 2.58 N ATOM 0 H GLN A 44 0.026 6.734 6.484 1.00 0.74 H new ATOM 0 HA GLN A 44 1.807 4.674 7.495 1.00 0.74 H new ATOM 0 HB2 GLN A 44 0.059 3.877 8.578 1.00 0.97 H new ATOM 0 HB3 GLN A 44 -0.584 5.483 8.298 1.00 0.97 H new ATOM 0 HG2 GLN A 44 -1.857 4.633 6.331 1.00 1.10 H new ATOM 0 HG3 GLN A 44 -1.212 3.027 6.605 1.00 1.10 H new ATOM 0 HE21 GLN A 44 -2.991 5.677 8.307 1.00 2.58 H new ATOM 0 HE22 GLN A 44 -3.994 4.603 9.289 1.00 2.58 H new ATOM 822 N ILE A 45 0.374 4.264 4.557 1.00 0.68 N ATOM 823 CA ILE A 45 0.470 3.383 3.398 1.00 0.75 C ATOM 824 C ILE A 45 1.893 3.385 2.855 1.00 0.60 C ATOM 825 O ILE A 45 2.390 2.330 2.476 1.00 0.63 O ATOM 826 CB ILE A 45 -0.595 3.710 2.338 1.00 0.93 C ATOM 827 CG1 ILE A 45 -1.942 3.178 2.862 1.00 1.33 C ATOM 828 CG2 ILE A 45 -0.260 3.079 0.975 1.00 1.05 C ATOM 829 CD1 ILE A 45 -3.003 3.130 1.773 1.00 1.14 C ATOM 0 H ILE A 45 -0.235 5.074 4.441 1.00 0.68 H new ATOM 0 HA ILE A 45 0.250 2.362 3.712 1.00 0.75 H new ATOM 0 HB ILE A 45 -0.635 4.787 2.178 1.00 0.93 H new ATOM 0 HG12 ILE A 45 -1.801 2.179 3.274 1.00 1.33 H new ATOM 0 HG13 ILE A 45 -2.289 3.813 3.677 1.00 1.33 H new ATOM 0 HG21 ILE A 45 -1.037 3.334 0.255 1.00 1.05 H new ATOM 0 HG22 ILE A 45 0.699 3.460 0.624 1.00 1.05 H new ATOM 0 HG23 ILE A 45 -0.204 1.995 1.080 1.00 1.05 H new ATOM 0 HD11 ILE A 45 -3.935 2.748 2.190 1.00 1.14 H new ATOM 0 HD12 ILE A 45 -3.165 4.133 1.379 1.00 1.14 H new ATOM 0 HD13 ILE A 45 -2.670 2.474 0.969 1.00 1.14 H new ATOM 841 N LYS A 46 2.560 4.542 2.835 1.00 0.52 N ATOM 842 CA LYS A 46 3.972 4.601 2.505 1.00 0.49 C ATOM 843 C LYS A 46 4.762 3.630 3.376 1.00 0.48 C ATOM 844 O LYS A 46 5.445 2.771 2.837 1.00 0.56 O ATOM 845 CB LYS A 46 4.487 6.037 2.638 1.00 0.56 C ATOM 846 CG LYS A 46 4.260 6.808 1.321 1.00 1.63 C ATOM 847 CD LYS A 46 5.573 7.045 0.552 1.00 2.02 C ATOM 848 CE LYS A 46 6.235 8.380 0.924 1.00 2.44 C ATOM 849 NZ LYS A 46 6.316 8.579 2.384 1.00 3.05 N ATOM 0 H LYS A 46 2.138 5.447 3.045 1.00 0.52 H new ATOM 0 HA LYS A 46 4.111 4.296 1.468 1.00 0.49 H new ATOM 0 HB2 LYS A 46 3.973 6.541 3.456 1.00 0.56 H new ATOM 0 HB3 LYS A 46 5.549 6.029 2.885 1.00 0.56 H new ATOM 0 HG2 LYS A 46 3.567 6.251 0.691 1.00 1.63 H new ATOM 0 HG3 LYS A 46 3.791 7.767 1.540 1.00 1.63 H new ATOM 0 HD2 LYS A 46 6.265 6.229 0.759 1.00 2.02 H new ATOM 0 HD3 LYS A 46 5.372 7.028 -0.519 1.00 2.02 H new ATOM 0 HE2 LYS A 46 7.238 8.416 0.499 1.00 2.44 H new ATOM 0 HE3 LYS A 46 5.670 9.199 0.479 1.00 2.44 H new ATOM 0 HZ1 LYS A 46 6.859 9.442 2.587 1.00 3.05 H new ATOM 0 HZ2 LYS A 46 5.357 8.673 2.775 1.00 3.05 H new ATOM 0 HZ3 LYS A 46 6.789 7.762 2.820 1.00 3.05 H new ATOM 863 N ILE A 47 4.674 3.748 4.702 1.00 0.51 N ATOM 864 CA ILE A 47 5.323 2.809 5.621 1.00 0.54 C ATOM 865 C ILE A 47 5.008 1.344 5.257 1.00 0.51 C ATOM 866 O ILE A 47 5.920 0.518 5.159 1.00 0.56 O ATOM 867 CB ILE A 47 4.973 3.173 7.079 1.00 0.61 C ATOM 868 CG1 ILE A 47 5.750 4.447 7.460 1.00 0.72 C ATOM 869 CG2 ILE A 47 5.302 2.031 8.057 1.00 0.78 C ATOM 870 CD1 ILE A 47 5.193 5.137 8.707 1.00 1.73 C ATOM 0 H ILE A 47 4.154 4.492 5.168 1.00 0.51 H new ATOM 0 HA ILE A 47 6.404 2.900 5.520 1.00 0.54 H new ATOM 0 HB ILE A 47 3.899 3.344 7.150 1.00 0.61 H new ATOM 0 HG12 ILE A 47 6.796 4.191 7.630 1.00 0.72 H new ATOM 0 HG13 ILE A 47 5.725 5.145 6.623 1.00 0.72 H new ATOM 0 HG21 ILE A 47 5.039 2.333 9.071 1.00 0.78 H new ATOM 0 HG22 ILE A 47 4.733 1.143 7.784 1.00 0.78 H new ATOM 0 HG23 ILE A 47 6.368 1.808 8.010 1.00 0.78 H new ATOM 0 HD11 ILE A 47 5.783 6.028 8.924 1.00 1.73 H new ATOM 0 HD12 ILE A 47 4.156 5.422 8.532 1.00 1.73 H new ATOM 0 HD13 ILE A 47 5.243 4.453 9.554 1.00 1.73 H new ATOM 882 N TRP A 48 3.732 1.007 5.049 1.00 0.45 N ATOM 883 CA TRP A 48 3.345 -0.360 4.718 1.00 0.41 C ATOM 884 C TRP A 48 4.002 -0.812 3.395 1.00 0.45 C ATOM 885 O TRP A 48 4.709 -1.817 3.368 1.00 0.50 O ATOM 886 CB TRP A 48 1.818 -0.515 4.781 1.00 0.39 C ATOM 887 CG TRP A 48 1.297 -1.921 4.666 1.00 0.40 C ATOM 888 CD1 TRP A 48 0.765 -2.690 5.643 1.00 0.47 C ATOM 889 CD2 TRP A 48 1.246 -2.735 3.470 1.00 0.46 C ATOM 890 NE1 TRP A 48 0.350 -3.902 5.109 1.00 0.52 N ATOM 891 CE2 TRP A 48 0.661 -4.005 3.769 1.00 0.47 C ATOM 892 CE3 TRP A 48 1.585 -2.478 2.137 1.00 0.64 C ATOM 893 CZ2 TRP A 48 0.448 -4.982 2.774 1.00 0.53 C ATOM 894 CZ3 TRP A 48 1.444 -3.454 1.164 1.00 0.73 C ATOM 895 CH2 TRP A 48 0.845 -4.673 1.475 1.00 0.60 C ATOM 0 H TRP A 48 2.953 1.664 5.105 1.00 0.45 H new ATOM 0 HA TRP A 48 3.731 -1.052 5.467 1.00 0.41 H new ATOM 0 HB2 TRP A 48 1.468 -0.094 5.723 1.00 0.39 H new ATOM 0 HB3 TRP A 48 1.378 0.082 3.982 1.00 0.39 H new ATOM 0 HD1 TRP A 48 0.677 -2.404 6.681 1.00 0.47 H new ATOM 0 HE1 TRP A 48 -0.127 -4.629 5.643 1.00 0.52 H new ATOM 0 HE3 TRP A 48 1.962 -1.504 1.863 1.00 0.64 H new ATOM 0 HZ2 TRP A 48 -0.006 -5.933 3.010 1.00 0.53 H new ATOM 0 HZ3 TRP A 48 1.800 -3.269 0.161 1.00 0.73 H new ATOM 0 HH2 TRP A 48 0.684 -5.396 0.689 1.00 0.60 H new ATOM 906 N PHE A 49 3.841 -0.034 2.314 1.00 0.44 N ATOM 907 CA PHE A 49 4.466 -0.288 1.011 1.00 0.47 C ATOM 908 C PHE A 49 5.991 -0.377 1.155 1.00 0.54 C ATOM 909 O PHE A 49 6.628 -1.198 0.497 1.00 0.80 O ATOM 910 CB PHE A 49 4.080 0.787 -0.035 1.00 0.49 C ATOM 911 CG PHE A 49 2.899 0.446 -0.943 1.00 0.49 C ATOM 912 CD1 PHE A 49 1.619 0.300 -0.385 1.00 0.45 C ATOM 913 CD2 PHE A 49 3.114 0.096 -2.292 1.00 0.65 C ATOM 914 CE1 PHE A 49 0.561 -0.202 -1.163 1.00 0.52 C ATOM 915 CE2 PHE A 49 2.052 -0.392 -3.076 1.00 0.72 C ATOM 916 CZ PHE A 49 0.778 -0.554 -2.507 1.00 0.64 C ATOM 0 H PHE A 49 3.261 0.805 2.323 1.00 0.44 H new ATOM 0 HA PHE A 49 4.089 -1.245 0.649 1.00 0.47 H new ATOM 0 HB2 PHE A 49 3.851 1.713 0.493 1.00 0.49 H new ATOM 0 HB3 PHE A 49 4.950 0.984 -0.662 1.00 0.49 H new ATOM 0 HD1 PHE A 49 1.447 0.574 0.645 1.00 0.45 H new ATOM 0 HD2 PHE A 49 4.098 0.203 -2.725 1.00 0.65 H new ATOM 0 HE1 PHE A 49 -0.421 -0.318 -0.727 1.00 0.52 H new ATOM 0 HE2 PHE A 49 2.216 -0.642 -4.114 1.00 0.72 H new ATOM 0 HZ PHE A 49 -0.033 -0.948 -3.101 1.00 0.64 H new ATOM 926 N GLN A 50 6.582 0.464 2.004 1.00 0.48 N ATOM 927 CA GLN A 50 8.014 0.528 2.231 1.00 0.51 C ATOM 928 C GLN A 50 8.505 -0.787 2.825 1.00 0.50 C ATOM 929 O GLN A 50 9.467 -1.354 2.303 1.00 0.60 O ATOM 930 CB GLN A 50 8.358 1.733 3.116 1.00 0.61 C ATOM 931 CG GLN A 50 9.865 1.966 3.243 1.00 0.62 C ATOM 932 CD GLN A 50 10.138 3.249 4.022 1.00 1.49 C ATOM 933 OE1 GLN A 50 10.358 4.301 3.433 1.00 2.73 O ATOM 934 NE2 GLN A 50 10.118 3.179 5.350 1.00 1.88 N ATOM 0 H GLN A 50 6.058 1.135 2.565 1.00 0.48 H new ATOM 0 HA GLN A 50 8.530 0.670 1.282 1.00 0.51 H new ATOM 0 HB2 GLN A 50 7.891 2.627 2.702 1.00 0.61 H new ATOM 0 HB3 GLN A 50 7.934 1.582 4.109 1.00 0.61 H new ATOM 0 HG2 GLN A 50 10.329 1.119 3.749 1.00 0.62 H new ATOM 0 HG3 GLN A 50 10.315 2.031 2.252 1.00 0.62 H new ATOM 0 HE21 GLN A 50 9.932 2.288 5.811 1.00 1.88 H new ATOM 0 HE22 GLN A 50 10.289 4.016 5.907 1.00 1.88 H new ATOM 943 N ASN A 51 7.857 -1.286 3.887 1.00 0.50 N ATOM 944 CA ASN A 51 8.251 -2.593 4.404 1.00 0.56 C ATOM 945 C ASN A 51 8.005 -3.661 3.336 1.00 0.55 C ATOM 946 O ASN A 51 8.896 -4.463 3.069 1.00 0.66 O ATOM 947 CB ASN A 51 7.655 -2.921 5.783 1.00 0.73 C ATOM 948 CG ASN A 51 6.256 -3.530 5.755 1.00 1.88 C ATOM 949 OD1 ASN A 51 6.067 -4.660 5.319 1.00 3.39 O ATOM 950 ND2 ASN A 51 5.268 -2.807 6.266 1.00 2.62 N ATOM 0 H ASN A 51 7.093 -0.826 4.382 1.00 0.50 H new ATOM 0 HA ASN A 51 9.322 -2.572 4.607 1.00 0.56 H new ATOM 0 HB2 ASN A 51 8.325 -3.611 6.296 1.00 0.73 H new ATOM 0 HB3 ASN A 51 7.625 -2.007 6.375 1.00 0.73 H new ATOM 0 HD21 ASN A 51 4.323 -3.189 6.303 1.00 2.62 H new ATOM 0 HD22 ASN A 51 5.453 -1.869 6.622 1.00 2.62 H new ATOM 957 N ARG A 52 6.846 -3.617 2.663 1.00 0.50 N ATOM 958 CA ARG A 52 6.511 -4.566 1.609 1.00 0.56 C ATOM 959 C ARG A 52 7.584 -4.604 0.509 1.00 0.79 C ATOM 960 O ARG A 52 7.815 -5.641 -0.113 1.00 1.56 O ATOM 961 CB ARG A 52 5.107 -4.274 1.024 1.00 0.67 C ATOM 962 CG ARG A 52 4.247 -5.534 1.085 1.00 0.90 C ATOM 963 CD ARG A 52 3.212 -5.763 -0.010 1.00 1.50 C ATOM 964 NE ARG A 52 3.733 -6.567 -1.116 1.00 2.43 N ATOM 965 CZ ARG A 52 3.310 -7.789 -1.488 1.00 3.74 C ATOM 966 NH1 ARG A 52 2.182 -8.283 -0.975 1.00 4.60 N ATOM 967 NH2 ARG A 52 4.009 -8.486 -2.387 1.00 4.90 N ATOM 0 H ARG A 52 6.121 -2.922 2.839 1.00 0.50 H new ATOM 0 HA ARG A 52 6.485 -5.558 2.060 1.00 0.56 H new ATOM 0 HB2 ARG A 52 4.630 -3.470 1.584 1.00 0.67 H new ATOM 0 HB3 ARG A 52 5.197 -3.934 -0.008 1.00 0.67 H new ATOM 0 HG2 ARG A 52 4.918 -6.393 1.092 1.00 0.90 H new ATOM 0 HG3 ARG A 52 3.723 -5.532 2.041 1.00 0.90 H new ATOM 0 HD2 ARG A 52 2.341 -6.260 0.417 1.00 1.50 H new ATOM 0 HD3 ARG A 52 2.874 -4.800 -0.393 1.00 1.50 H new ATOM 0 HE ARG A 52 4.494 -6.160 -1.660 1.00 2.43 H new ATOM 0 HH11 ARG A 52 1.644 -7.735 -0.304 1.00 4.60 H new ATOM 0 HH12 ARG A 52 1.857 -9.209 -1.254 1.00 4.60 H new ATOM 0 HH21 ARG A 52 4.860 -8.092 -2.789 1.00 4.90 H new ATOM 0 HH22 ARG A 52 3.692 -9.413 -2.672 1.00 4.90 H new ATOM 981 N ARG A 53 8.221 -3.459 0.253 1.00 0.68 N ATOM 982 CA ARG A 53 9.291 -3.299 -0.719 1.00 0.80 C ATOM 983 C ARG A 53 10.592 -4.000 -0.327 1.00 0.57 C ATOM 984 O ARG A 53 11.283 -4.531 -1.202 1.00 0.53 O ATOM 985 CB ARG A 53 9.513 -1.803 -0.985 1.00 1.22 C ATOM 986 CG ARG A 53 8.861 -1.393 -2.300 1.00 1.36 C ATOM 987 CD ARG A 53 9.630 -1.978 -3.499 1.00 2.51 C ATOM 988 NE ARG A 53 10.382 -0.964 -4.263 1.00 3.21 N ATOM 989 CZ ARG A 53 9.795 -0.042 -5.042 1.00 3.68 C ATOM 990 NH1 ARG A 53 8.473 0.091 -4.969 1.00 4.08 N ATOM 991 NH2 ARG A 53 10.511 0.715 -5.879 1.00 4.65 N ATOM 0 H ARG A 53 7.994 -2.590 0.737 1.00 0.68 H new ATOM 0 HA ARG A 53 8.974 -3.794 -1.637 1.00 0.80 H new ATOM 0 HB2 ARG A 53 9.096 -1.216 -0.167 1.00 1.22 H new ATOM 0 HB3 ARG A 53 10.581 -1.588 -1.019 1.00 1.22 H new ATOM 0 HG2 ARG A 53 7.828 -1.739 -2.322 1.00 1.36 H new ATOM 0 HG3 ARG A 53 8.835 -0.306 -2.375 1.00 1.36 H new ATOM 0 HD2 ARG A 53 10.322 -2.740 -3.141 1.00 2.51 H new ATOM 0 HD3 ARG A 53 8.926 -2.476 -4.165 1.00 2.51 H new ATOM 0 HE ARG A 53 11.400 -0.964 -4.196 1.00 3.21 H new ATOM 0 HH11 ARG A 53 7.935 -0.499 -4.334 1.00 4.08 H new ATOM 0 HH12 ARG A 53 7.997 0.783 -5.548 1.00 4.08 H new ATOM 0 HH21 ARG A 53 11.523 0.598 -5.934 1.00 4.65 H new ATOM 0 HH22 ARG A 53 10.046 1.410 -6.463 1.00 4.65 H new ATOM 1005 N MET A 54 10.971 -3.985 0.952 1.00 0.59 N ATOM 1006 CA MET A 54 12.065 -4.800 1.419 1.00 0.65 C ATOM 1007 C MET A 54 11.645 -6.266 1.221 1.00 0.61 C ATOM 1008 O MET A 54 10.502 -6.627 1.482 1.00 0.73 O ATOM 1009 CB MET A 54 12.416 -4.361 2.852 1.00 0.83 C ATOM 1010 CG MET A 54 12.663 -5.531 3.793 1.00 0.92 C ATOM 1011 SD MET A 54 13.428 -5.095 5.375 1.00 1.39 S ATOM 1012 CE MET A 54 13.272 -6.678 6.232 1.00 2.95 C ATOM 0 H MET A 54 10.530 -3.414 1.673 1.00 0.59 H new ATOM 0 HA MET A 54 12.996 -4.681 0.865 1.00 0.65 H new ATOM 0 HB2 MET A 54 13.305 -3.731 2.825 1.00 0.83 H new ATOM 0 HB3 MET A 54 11.604 -3.750 3.247 1.00 0.83 H new ATOM 0 HG2 MET A 54 11.712 -6.025 3.991 1.00 0.92 H new ATOM 0 HG3 MET A 54 13.300 -6.256 3.287 1.00 0.92 H new ATOM 0 HE1 MET A 54 13.696 -6.593 7.233 1.00 2.95 H new ATOM 0 HE2 MET A 54 12.219 -6.950 6.306 1.00 2.95 H new ATOM 0 HE3 MET A 54 13.807 -7.447 5.675 1.00 2.95 H new ATOM 1022 N LYS A 55 12.564 -7.067 0.670 1.00 0.81 N ATOM 1023 CA LYS A 55 12.402 -8.409 0.114 1.00 0.98 C ATOM 1024 C LYS A 55 12.305 -8.340 -1.407 1.00 0.94 C ATOM 1025 O LYS A 55 12.915 -9.153 -2.089 1.00 1.45 O ATOM 1026 CB LYS A 55 11.279 -9.243 0.749 1.00 1.30 C ATOM 1027 CG LYS A 55 11.341 -10.711 0.284 1.00 2.03 C ATOM 1028 CD LYS A 55 10.494 -10.990 -0.973 1.00 3.32 C ATOM 1029 CE LYS A 55 9.093 -11.530 -0.650 1.00 4.19 C ATOM 1030 NZ LYS A 55 8.356 -10.671 0.300 1.00 4.93 N ATOM 0 H LYS A 55 13.533 -6.758 0.597 1.00 0.81 H new ATOM 0 HA LYS A 55 13.302 -8.963 0.381 1.00 0.98 H new ATOM 0 HB2 LYS A 55 11.360 -9.199 1.835 1.00 1.30 H new ATOM 0 HB3 LYS A 55 10.312 -8.816 0.484 1.00 1.30 H new ATOM 0 HG2 LYS A 55 12.378 -10.977 0.081 1.00 2.03 H new ATOM 0 HG3 LYS A 55 11.000 -11.356 1.094 1.00 2.03 H new ATOM 0 HD2 LYS A 55 10.398 -10.070 -1.550 1.00 3.32 H new ATOM 0 HD3 LYS A 55 11.017 -11.709 -1.604 1.00 3.32 H new ATOM 0 HE2 LYS A 55 8.520 -11.618 -1.573 1.00 4.19 H new ATOM 0 HE3 LYS A 55 9.182 -12.533 -0.233 1.00 4.19 H new ATOM 0 HZ1 LYS A 55 7.374 -11.004 0.379 1.00 4.93 H new ATOM 0 HZ2 LYS A 55 8.813 -10.714 1.233 1.00 4.93 H new ATOM 0 HZ3 LYS A 55 8.362 -9.689 -0.043 1.00 4.93 H new ATOM 1044 N TRP A 56 11.621 -7.336 -1.957 1.00 0.84 N ATOM 1045 CA TRP A 56 11.742 -7.110 -3.388 1.00 0.84 C ATOM 1046 C TRP A 56 13.090 -6.436 -3.660 1.00 0.79 C ATOM 1047 O TRP A 56 13.981 -7.036 -4.259 1.00 1.01 O ATOM 1048 CB TRP A 56 10.551 -6.346 -3.968 1.00 0.92 C ATOM 1049 CG TRP A 56 10.686 -6.108 -5.435 1.00 1.31 C ATOM 1050 CD1 TRP A 56 10.392 -7.006 -6.395 1.00 1.76 C ATOM 1051 CD2 TRP A 56 11.266 -4.964 -6.123 1.00 1.70 C ATOM 1052 NE1 TRP A 56 10.746 -6.503 -7.629 1.00 2.24 N ATOM 1053 CE2 TRP A 56 11.292 -5.240 -7.521 1.00 2.21 C ATOM 1054 CE3 TRP A 56 11.763 -3.713 -5.701 1.00 1.98 C ATOM 1055 CZ2 TRP A 56 11.788 -4.320 -8.456 1.00 2.77 C ATOM 1056 CZ3 TRP A 56 12.256 -2.779 -6.631 1.00 2.59 C ATOM 1057 CH2 TRP A 56 12.260 -3.076 -8.005 1.00 2.91 C ATOM 0 H TRP A 56 11.005 -6.695 -1.457 1.00 0.84 H new ATOM 0 HA TRP A 56 11.720 -8.067 -3.910 1.00 0.84 H new ATOM 0 HB2 TRP A 56 9.636 -6.906 -3.777 1.00 0.92 H new ATOM 0 HB3 TRP A 56 10.452 -5.389 -3.455 1.00 0.92 H new ATOM 0 HD1 TRP A 56 9.946 -7.975 -6.224 1.00 1.76 H new ATOM 0 HE1 TRP A 56 10.620 -7.001 -8.510 1.00 2.24 H new ATOM 0 HE3 TRP A 56 11.765 -3.469 -4.649 1.00 1.98 H new ATOM 0 HZ2 TRP A 56 11.807 -4.564 -9.508 1.00 2.77 H new ATOM 0 HZ3 TRP A 56 12.634 -1.828 -6.287 1.00 2.59 H new ATOM 0 HH2 TRP A 56 12.626 -2.348 -8.714 1.00 2.91 H new ATOM 1068 N LYS A 57 13.301 -5.224 -3.142 1.00 0.72 N ATOM 1069 CA LYS A 57 14.518 -4.468 -3.443 1.00 0.94 C ATOM 1070 C LYS A 57 15.771 -5.017 -2.751 1.00 1.12 C ATOM 1071 O LYS A 57 16.809 -4.361 -2.804 1.00 1.38 O ATOM 1072 CB LYS A 57 14.330 -2.982 -3.114 1.00 1.24 C ATOM 1073 CG LYS A 57 14.192 -2.796 -1.601 1.00 2.96 C ATOM 1074 CD LYS A 57 13.245 -1.650 -1.237 1.00 3.56 C ATOM 1075 CE LYS A 57 13.991 -0.354 -0.888 1.00 4.59 C ATOM 1076 NZ LYS A 57 13.161 0.558 -0.071 1.00 5.85 N ATOM 0 H LYS A 57 12.650 -4.748 -2.517 1.00 0.72 H new ATOM 0 HA LYS A 57 14.686 -4.584 -4.514 1.00 0.94 H new ATOM 0 HB2 LYS A 57 15.180 -2.409 -3.483 1.00 1.24 H new ATOM 0 HB3 LYS A 57 13.443 -2.598 -3.619 1.00 1.24 H new ATOM 0 HG2 LYS A 57 13.826 -3.721 -1.156 1.00 2.96 H new ATOM 0 HG3 LYS A 57 15.174 -2.602 -1.171 1.00 2.96 H new ATOM 0 HD2 LYS A 57 12.570 -1.462 -2.072 1.00 3.56 H new ATOM 0 HD3 LYS A 57 12.628 -1.949 -0.390 1.00 3.56 H new ATOM 0 HE2 LYS A 57 14.905 -0.596 -0.346 1.00 4.59 H new ATOM 0 HE3 LYS A 57 14.289 0.152 -1.806 1.00 4.59 H new ATOM 0 HZ1 LYS A 57 13.701 1.421 0.143 1.00 5.85 H new ATOM 0 HZ2 LYS A 57 12.300 0.810 -0.598 1.00 5.85 H new ATOM 0 HZ3 LYS A 57 12.897 0.085 0.817 1.00 5.85 H new ATOM 1090 N LYS A 58 15.702 -6.199 -2.125 1.00 1.19 N ATOM 1091 CA LYS A 58 16.903 -6.880 -1.657 1.00 1.52 C ATOM 1092 C LYS A 58 16.937 -8.384 -1.936 1.00 1.68 C ATOM 1093 O LYS A 58 17.864 -9.045 -1.482 1.00 2.23 O ATOM 1094 CB LYS A 58 17.205 -6.492 -0.196 1.00 1.81 C ATOM 1095 CG LYS A 58 16.299 -7.209 0.822 1.00 2.76 C ATOM 1096 CD LYS A 58 17.048 -8.304 1.602 1.00 4.31 C ATOM 1097 CE LYS A 58 17.621 -7.764 2.922 1.00 4.62 C ATOM 1098 NZ LYS A 58 18.530 -8.734 3.569 1.00 5.58 N ATOM 0 H LYS A 58 14.832 -6.696 -1.935 1.00 1.19 H new ATOM 0 HA LYS A 58 17.732 -6.518 -2.265 1.00 1.52 H new ATOM 0 HB2 LYS A 58 18.246 -6.725 0.027 1.00 1.81 H new ATOM 0 HB3 LYS A 58 17.088 -5.414 -0.081 1.00 1.81 H new ATOM 0 HG2 LYS A 58 15.895 -6.479 1.523 1.00 2.76 H new ATOM 0 HG3 LYS A 58 15.451 -7.653 0.301 1.00 2.76 H new ATOM 0 HD2 LYS A 58 16.370 -9.132 1.810 1.00 4.31 H new ATOM 0 HD3 LYS A 58 17.857 -8.701 0.988 1.00 4.31 H new ATOM 0 HE2 LYS A 58 18.159 -6.835 2.731 1.00 4.62 H new ATOM 0 HE3 LYS A 58 16.803 -7.525 3.601 1.00 4.62 H new ATOM 0 HZ1 LYS A 58 18.894 -8.330 4.456 1.00 5.58 H new ATOM 0 HZ2 LYS A 58 18.011 -9.612 3.775 1.00 5.58 H new ATOM 0 HZ3 LYS A 58 19.325 -8.943 2.932 1.00 5.58 H new ATOM 1112 N GLU A 59 15.996 -8.881 -2.747 1.00 1.46 N ATOM 1113 CA GLU A 59 15.930 -10.277 -3.200 1.00 1.71 C ATOM 1114 C GLU A 59 15.085 -10.435 -4.484 1.00 2.07 C ATOM 1115 O GLU A 59 14.489 -11.485 -4.715 1.00 3.10 O ATOM 1116 CB GLU A 59 15.426 -11.215 -2.076 1.00 1.66 C ATOM 1117 CG GLU A 59 16.488 -11.701 -1.080 1.00 2.23 C ATOM 1118 CD GLU A 59 15.916 -12.762 -0.152 1.00 2.53 C ATOM 1119 OE1 GLU A 59 14.849 -12.472 0.434 1.00 2.71 O ATOM 1120 OE2 GLU A 59 16.561 -13.824 -0.034 1.00 3.60 O ATOM 0 H GLU A 59 15.238 -8.308 -3.117 1.00 1.46 H new ATOM 0 HA GLU A 59 16.948 -10.575 -3.450 1.00 1.71 H new ATOM 0 HB2 GLU A 59 14.645 -10.696 -1.520 1.00 1.66 H new ATOM 0 HB3 GLU A 59 14.963 -12.087 -2.538 1.00 1.66 H new ATOM 0 HG2 GLU A 59 17.342 -12.108 -1.622 1.00 2.23 H new ATOM 0 HG3 GLU A 59 16.855 -10.859 -0.494 1.00 2.23 H new ATOM 1127 N ASN A 60 15.051 -9.438 -5.377 1.00 1.72 N ATOM 1128 CA ASN A 60 14.407 -9.569 -6.675 1.00 2.20 C ATOM 1129 C ASN A 60 15.015 -8.589 -7.663 1.00 2.55 C ATOM 1130 O ASN A 60 14.619 -7.425 -7.717 1.00 3.78 O ATOM 1131 CB ASN A 60 12.890 -9.337 -6.584 1.00 2.37 C ATOM 1132 CG ASN A 60 12.100 -10.631 -6.524 1.00 2.51 C ATOM 1133 OD1 ASN A 60 11.241 -10.811 -5.666 1.00 3.76 O ATOM 1134 ND2 ASN A 60 12.351 -11.514 -7.484 1.00 2.30 N ATOM 0 H ASN A 60 15.470 -8.523 -5.214 1.00 1.72 H new ATOM 0 HA ASN A 60 14.572 -10.589 -7.021 1.00 2.20 H new ATOM 0 HB2 ASN A 60 12.671 -8.741 -5.698 1.00 2.37 H new ATOM 0 HB3 ASN A 60 12.563 -8.757 -7.447 1.00 2.37 H new ATOM 0 HD21 ASN A 60 11.820 -12.384 -7.529 1.00 2.30 H new ATOM 0 HD22 ASN A 60 13.075 -11.322 -8.177 1.00 2.30 H new ATOM 1141 N LYS A 61 15.945 -9.094 -8.476 1.00 2.56 N ATOM 1142 CA LYS A 61 16.543 -8.429 -9.619 1.00 3.23 C ATOM 1143 C LYS A 61 17.417 -7.248 -9.196 1.00 3.42 C ATOM 1144 O LYS A 61 18.627 -7.314 -9.388 1.00 4.24 O ATOM 1145 CB LYS A 61 15.473 -8.070 -10.663 1.00 3.86 C ATOM 1146 CG LYS A 61 16.128 -7.475 -11.919 1.00 4.75 C ATOM 1147 CD LYS A 61 15.577 -6.079 -12.248 1.00 5.48 C ATOM 1148 CE LYS A 61 16.434 -5.403 -13.330 1.00 6.65 C ATOM 1149 NZ LYS A 61 17.713 -4.888 -12.794 1.00 7.26 N ATOM 0 H LYS A 61 16.318 -10.034 -8.340 1.00 2.56 H new ATOM 0 HA LYS A 61 17.224 -9.125 -10.108 1.00 3.23 H new ATOM 0 HB2 LYS A 61 14.903 -8.960 -10.929 1.00 3.86 H new ATOM 0 HB3 LYS A 61 14.768 -7.355 -10.239 1.00 3.86 H new ATOM 0 HG2 LYS A 61 17.206 -7.414 -11.771 1.00 4.75 H new ATOM 0 HG3 LYS A 61 15.959 -8.140 -12.766 1.00 4.75 H new ATOM 0 HD2 LYS A 61 14.546 -6.160 -12.591 1.00 5.48 H new ATOM 0 HD3 LYS A 61 15.566 -5.464 -11.348 1.00 5.48 H new ATOM 0 HE2 LYS A 61 16.638 -6.118 -14.127 1.00 6.65 H new ATOM 0 HE3 LYS A 61 15.872 -4.582 -13.775 1.00 6.65 H new ATOM 0 HZ1 LYS A 61 17.898 -3.943 -13.186 1.00 7.26 H new ATOM 0 HZ2 LYS A 61 17.656 -4.828 -11.757 1.00 7.26 H new ATOM 0 HZ3 LYS A 61 18.485 -5.531 -13.061 1.00 7.26 H new ATOM 1163 N THR A 62 16.789 -6.187 -8.681 1.00 3.56 N ATOM 1164 CA THR A 62 17.382 -4.951 -8.218 1.00 4.13 C ATOM 1165 C THR A 62 18.057 -4.186 -9.359 1.00 5.19 C ATOM 1166 O THR A 62 18.482 -4.742 -10.372 1.00 5.71 O ATOM 1167 CB THR A 62 18.237 -5.151 -6.948 1.00 3.93 C ATOM 1168 OG1 THR A 62 19.506 -5.691 -7.239 1.00 4.13 O ATOM 1169 CG2 THR A 62 17.526 -6.066 -5.939 1.00 4.65 C ATOM 0 H THR A 62 15.775 -6.180 -8.573 1.00 3.56 H new ATOM 0 HA THR A 62 16.582 -4.289 -7.886 1.00 4.13 H new ATOM 0 HB THR A 62 18.373 -4.160 -6.514 1.00 3.93 H new ATOM 0 HG1 THR A 62 19.431 -6.315 -7.991 1.00 4.13 H new ATOM 0 HG21 THR A 62 18.152 -6.189 -5.055 1.00 4.65 H new ATOM 0 HG22 THR A 62 16.574 -5.620 -5.651 1.00 4.65 H new ATOM 0 HG23 THR A 62 17.347 -7.040 -6.394 1.00 4.65 H new ATOM 1177 N LYS A 63 18.055 -2.862 -9.255 1.00 6.40 N ATOM 1178 CA LYS A 63 18.958 -2.012 -10.015 1.00 7.69 C ATOM 1179 C LYS A 63 20.293 -1.968 -9.269 1.00 7.56 C ATOM 1180 O LYS A 63 20.319 -2.022 -8.041 1.00 7.28 O ATOM 1181 CB LYS A 63 18.361 -0.609 -10.211 1.00 9.44 C ATOM 1182 CG LYS A 63 17.633 -0.427 -11.558 1.00 10.86 C ATOM 1183 CD LYS A 63 18.622 -0.337 -12.740 1.00 11.45 C ATOM 1184 CE LYS A 63 18.051 0.377 -13.983 1.00 13.34 C ATOM 1185 NZ LYS A 63 17.086 -0.431 -14.759 1.00 14.33 N ATOM 0 H LYS A 63 17.425 -2.348 -8.639 1.00 6.40 H new ATOM 0 HA LYS A 63 19.113 -2.417 -11.015 1.00 7.69 H new ATOM 0 HB2 LYS A 63 17.662 -0.405 -9.400 1.00 9.44 H new ATOM 0 HB3 LYS A 63 19.159 0.129 -10.137 1.00 9.44 H new ATOM 0 HG2 LYS A 63 16.951 -1.262 -11.718 1.00 10.86 H new ATOM 0 HG3 LYS A 63 17.026 0.478 -11.523 1.00 10.86 H new ATOM 0 HD2 LYS A 63 19.518 0.189 -12.411 1.00 11.45 H new ATOM 0 HD3 LYS A 63 18.929 -1.344 -13.021 1.00 11.45 H new ATOM 0 HE2 LYS A 63 17.563 1.299 -13.666 1.00 13.34 H new ATOM 0 HE3 LYS A 63 18.877 0.661 -14.635 1.00 13.34 H new ATOM 0 HZ1 LYS A 63 16.750 0.119 -15.575 1.00 14.33 H new ATOM 0 HZ2 LYS A 63 17.550 -1.299 -15.094 1.00 14.33 H new ATOM 0 HZ3 LYS A 63 16.278 -0.682 -14.154 1.00 14.33 H new ATOM 1199 N GLY A 64 21.389 -1.888 -10.024 1.00 8.34 N ATOM 1200 CA GLY A 64 22.742 -1.904 -9.491 1.00 8.83 C ATOM 1201 C GLY A 64 23.714 -1.983 -10.660 1.00 9.64 C ATOM 1202 O GLY A 64 24.526 -1.083 -10.854 1.00 10.51 O ATOM 0 H GLY A 64 21.356 -1.809 -11.040 1.00 8.34 H new ATOM 0 HA2 GLY A 64 22.929 -1.006 -8.902 1.00 8.83 H new ATOM 0 HA3 GLY A 64 22.878 -2.756 -8.825 1.00 8.83 H new ATOM 1206 N GLU A 65 23.568 -3.034 -11.472 1.00 9.70 N ATOM 1207 CA GLU A 65 24.317 -3.240 -12.702 1.00 10.81 C ATOM 1208 C GLU A 65 23.367 -3.009 -13.888 1.00 11.56 C ATOM 1209 O GLU A 65 22.580 -3.899 -14.213 1.00 11.91 O ATOM 1210 CB GLU A 65 24.896 -4.664 -12.679 1.00 11.02 C ATOM 1211 CG GLU A 65 25.984 -4.864 -13.738 1.00 12.04 C ATOM 1212 CD GLU A 65 26.532 -6.283 -13.675 1.00 12.36 C ATOM 1213 OE1 GLU A 65 25.774 -7.196 -14.067 1.00 12.39 O ATOM 1214 OE2 GLU A 65 27.682 -6.429 -13.210 1.00 12.92 O ATOM 0 H GLU A 65 22.904 -3.784 -11.280 1.00 9.70 H new ATOM 0 HA GLU A 65 25.149 -2.542 -12.800 1.00 10.81 H new ATOM 0 HB2 GLU A 65 25.310 -4.870 -11.692 1.00 11.02 H new ATOM 0 HB3 GLU A 65 24.094 -5.383 -12.845 1.00 11.02 H new ATOM 0 HG2 GLU A 65 25.575 -4.669 -14.730 1.00 12.04 H new ATOM 0 HG3 GLU A 65 26.791 -4.148 -13.579 1.00 12.04 H new ATOM 1221 N PRO A 66 23.344 -1.812 -14.496 1.00 12.20 N ATOM 1222 CA PRO A 66 22.561 -1.556 -15.694 1.00 13.35 C ATOM 1223 C PRO A 66 23.326 -2.026 -16.936 1.00 14.50 C ATOM 1224 O PRO A 66 24.531 -2.266 -16.883 1.00 14.69 O ATOM 1225 CB PRO A 66 22.358 -0.041 -15.709 1.00 13.85 C ATOM 1226 CG PRO A 66 23.662 0.474 -15.098 1.00 13.49 C ATOM 1227 CD PRO A 66 24.015 -0.595 -14.061 1.00 12.27 C ATOM 0 HA PRO A 66 21.611 -2.090 -15.698 1.00 13.35 H new ATOM 0 HB2 PRO A 66 22.206 0.338 -16.720 1.00 13.85 H new ATOM 0 HB3 PRO A 66 21.489 0.258 -15.122 1.00 13.85 H new ATOM 0 HG2 PRO A 66 24.444 0.578 -15.850 1.00 13.49 H new ATOM 0 HG3 PRO A 66 23.531 1.453 -14.637 1.00 13.49 H new ATOM 0 HD2 PRO A 66 25.093 -0.743 -14.004 1.00 12.27 H new ATOM 0 HD3 PRO A 66 23.681 -0.299 -13.066 1.00 12.27 H new ATOM 1235 N GLY A 67 22.618 -2.121 -18.058 1.00 15.50 N ATOM 1236 CA GLY A 67 23.125 -2.447 -19.372 1.00 16.89 C ATOM 1237 C GLY A 67 21.924 -2.323 -20.310 1.00 17.66 C ATOM 1238 O GLY A 67 20.829 -2.068 -19.745 1.00 17.48 O ATOM 1239 OXT GLY A 67 22.138 -2.484 -21.531 1.00 18.59 O ATOM 0 H GLY A 67 21.611 -1.961 -18.065 1.00 15.50 H new ATOM 0 HA2 GLY A 67 23.925 -1.767 -19.665 1.00 16.89 H new ATOM 0 HA3 GLY A 67 23.539 -3.455 -19.395 1.00 16.89 H new TER 1243 GLY A 67