USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 861 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 68 MET CE :methyl 178:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0912 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 62:sc= 0.0848 USER MOD Single : A 17 GLN : amide:sc= -0.744 K(o=-0.74,f=-2.8!) USER MOD Single : A 22 HIS : no HD1:sc= -2.49! K(o=-2.5!,f=-1.7) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -3.46! C(o=-3.5!,f=-5.9!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -167:sc= 0.636 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -108:sc= -2.81! (180deg=-4.62!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -156:sc= -0.0642 (180deg=-0.424) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0499 X(o=-0.05,f=-0.4) USER MOD Single : A 73 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.86) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 88:sc= 0.403 USER MOD Single : A 80 SER OG : rot 180:sc= -1.06 USER MOD Single : A 81 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 132:sc= -0.103 (180deg=-0.872) USER MOD Single : A 89 TYR OH : rot 5:sc= 1.17 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0.311 X(o=0.31,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -1.29 K(o=-1.3,f=0.11) USER MOD Single : A 101 GLN : amide:sc= -6.19! C(o=-6.2!,f=-6.1!) USER MOD Single : A 103 SER OG : rot 28:sc= 1.08 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.385 K(o=-0.39,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.212 27.218 -16.616 1.00 0.00 N ATOM 2 CA GLY A 1 6.351 26.557 -15.652 1.00 0.00 C ATOM 3 C GLY A 1 6.373 27.233 -14.295 1.00 0.00 C ATOM 4 O GLY A 1 7.054 28.242 -14.108 1.00 0.00 O ATOM 0 H1 GLY A 1 6.641 27.559 -17.415 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.687 28.024 -16.162 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.926 26.546 -16.962 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.329 26.544 -16.031 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.664 25.519 -15.542 1.00 0.00 H new ATOM 8 N SER A 2 5.626 26.678 -13.347 1.00 0.00 N ATOM 9 CA SER A 2 5.558 27.238 -12.002 1.00 0.00 C ATOM 10 C SER A 2 4.904 26.254 -11.037 1.00 0.00 C ATOM 11 O SER A 2 3.820 25.735 -11.302 1.00 0.00 O ATOM 12 CB SER A 2 4.779 28.554 -12.012 1.00 0.00 C ATOM 13 OG SER A 2 5.203 29.407 -10.963 1.00 0.00 O ATOM 0 H SER A 2 5.059 25.841 -13.485 1.00 0.00 H new ATOM 0 HA SER A 2 6.576 27.430 -11.664 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.918 29.055 -12.970 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.713 28.350 -11.910 1.00 0.00 H new ATOM 0 HG SER A 2 4.691 30.242 -10.993 1.00 0.00 H new ATOM 19 N SER A 3 5.571 26.002 -9.915 1.00 0.00 N ATOM 20 CA SER A 3 5.058 25.078 -8.911 1.00 0.00 C ATOM 21 C SER A 3 5.016 25.737 -7.536 1.00 0.00 C ATOM 22 O SER A 3 5.744 26.693 -7.271 1.00 0.00 O ATOM 23 CB SER A 3 5.922 23.817 -8.858 1.00 0.00 C ATOM 24 OG SER A 3 5.251 22.765 -8.187 1.00 0.00 O ATOM 0 H SER A 3 6.468 26.425 -9.679 1.00 0.00 H new ATOM 0 HA SER A 3 4.042 24.802 -9.194 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.175 23.503 -9.871 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.860 24.037 -8.349 1.00 0.00 H new ATOM 0 HG SER A 3 5.824 21.970 -8.169 1.00 0.00 H new ATOM 30 N GLY A 4 4.158 25.219 -6.663 1.00 0.00 N ATOM 31 CA GLY A 4 4.036 25.769 -5.326 1.00 0.00 C ATOM 32 C GLY A 4 2.943 25.096 -4.519 1.00 0.00 C ATOM 33 O GLY A 4 1.994 24.550 -5.082 1.00 0.00 O ATOM 0 H GLY A 4 3.545 24.428 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.987 25.662 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.828 26.837 -5.393 1.00 0.00 H new ATOM 37 N SER A 5 3.076 25.134 -3.197 1.00 0.00 N ATOM 38 CA SER A 5 2.095 24.519 -2.312 1.00 0.00 C ATOM 39 C SER A 5 1.477 25.557 -1.380 1.00 0.00 C ATOM 40 O SER A 5 1.947 26.692 -1.299 1.00 0.00 O ATOM 41 CB SER A 5 2.746 23.404 -1.491 1.00 0.00 C ATOM 42 OG SER A 5 3.773 23.916 -0.660 1.00 0.00 O ATOM 0 H SER A 5 3.854 25.585 -2.715 1.00 0.00 H new ATOM 0 HA SER A 5 1.304 24.093 -2.928 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.991 22.910 -0.879 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.158 22.649 -2.160 1.00 0.00 H new ATOM 0 HG SER A 5 4.172 23.184 -0.145 1.00 0.00 H new ATOM 48 N SER A 6 0.420 25.159 -0.679 1.00 0.00 N ATOM 49 CA SER A 6 -0.266 26.055 0.244 1.00 0.00 C ATOM 50 C SER A 6 0.374 26.004 1.628 1.00 0.00 C ATOM 51 O SER A 6 0.866 27.011 2.135 1.00 0.00 O ATOM 52 CB SER A 6 -1.747 25.685 0.341 1.00 0.00 C ATOM 53 OG SER A 6 -2.435 26.561 1.218 1.00 0.00 O ATOM 0 H SER A 6 0.020 24.222 -0.733 1.00 0.00 H new ATOM 0 HA SER A 6 -0.177 27.071 -0.141 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.201 25.726 -0.649 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.846 24.659 0.695 1.00 0.00 H new ATOM 0 HG SER A 6 -3.380 26.305 1.262 1.00 0.00 H new ATOM 59 N GLY A 7 0.364 24.820 2.234 1.00 0.00 N ATOM 60 CA GLY A 7 0.946 24.658 3.554 1.00 0.00 C ATOM 61 C GLY A 7 1.870 23.459 3.636 1.00 0.00 C ATOM 62 O GLY A 7 3.077 23.583 3.428 1.00 0.00 O ATOM 0 H GLY A 7 -0.036 23.971 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.500 25.559 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.148 24.549 4.289 1.00 0.00 H new ATOM 66 N GLU A 8 1.303 22.296 3.942 1.00 0.00 N ATOM 67 CA GLU A 8 2.086 21.071 4.054 1.00 0.00 C ATOM 68 C GLU A 8 1.285 19.868 3.565 1.00 0.00 C ATOM 69 O GLU A 8 0.102 19.983 3.246 1.00 0.00 O ATOM 70 CB GLU A 8 2.525 20.851 5.503 1.00 0.00 C ATOM 71 CG GLU A 8 1.366 20.705 6.475 1.00 0.00 C ATOM 72 CD GLU A 8 1.809 20.220 7.842 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.926 18.990 8.025 1.00 0.00 O ATOM 74 OE2 GLU A 8 2.038 21.069 8.728 1.00 0.00 O ATOM 0 H GLU A 8 0.305 22.177 4.117 1.00 0.00 H new ATOM 0 HA GLU A 8 2.971 21.176 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.146 19.956 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.148 21.689 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.862 21.666 6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.638 20.006 6.064 1.00 0.00 H new ATOM 81 N VAL A 9 1.940 18.712 3.509 1.00 0.00 N ATOM 82 CA VAL A 9 1.291 17.486 3.060 1.00 0.00 C ATOM 83 C VAL A 9 0.473 16.855 4.181 1.00 0.00 C ATOM 84 O VAL A 9 0.913 16.800 5.329 1.00 0.00 O ATOM 85 CB VAL A 9 2.320 16.460 2.550 1.00 0.00 C ATOM 86 CG1 VAL A 9 3.252 16.034 3.674 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.616 15.255 1.944 1.00 0.00 C ATOM 0 H VAL A 9 2.920 18.599 3.769 1.00 0.00 H new ATOM 0 HA VAL A 9 0.627 17.761 2.240 1.00 0.00 H new ATOM 0 HB VAL A 9 2.920 16.930 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.972 15.309 3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.782 16.906 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.670 15.582 4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.359 14.540 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.989 14.782 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.995 15.578 1.109 1.00 0.00 H new ATOM 97 N ASP A 10 -0.719 16.379 3.840 1.00 0.00 N ATOM 98 CA ASP A 10 -1.600 15.750 4.817 1.00 0.00 C ATOM 99 C ASP A 10 -1.986 14.342 4.373 1.00 0.00 C ATOM 100 O ASP A 10 -2.352 14.106 3.222 1.00 0.00 O ATOM 101 CB ASP A 10 -2.857 16.596 5.023 1.00 0.00 C ATOM 102 CG ASP A 10 -3.441 16.437 6.413 1.00 0.00 C ATOM 103 OD1 ASP A 10 -2.671 16.520 7.393 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.668 16.232 6.520 1.00 0.00 O ATOM 0 H ASP A 10 -1.098 16.417 2.894 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.061 15.679 5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.617 17.645 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.606 16.314 4.283 1.00 0.00 H new ATOM 109 N PRO A 11 -1.903 13.383 5.307 1.00 0.00 N ATOM 110 CA PRO A 11 -2.239 11.982 5.036 1.00 0.00 C ATOM 111 C PRO A 11 -3.734 11.777 4.818 1.00 0.00 C ATOM 112 O PRO A 11 -4.145 11.082 3.889 1.00 0.00 O ATOM 113 CB PRO A 11 -1.778 11.255 6.302 1.00 0.00 C ATOM 114 CG PRO A 11 -1.821 12.292 7.371 1.00 0.00 C ATOM 115 CD PRO A 11 -1.474 13.593 6.701 1.00 0.00 C ATOM 0 HA PRO A 11 -1.766 11.618 4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.433 10.416 6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.773 10.851 6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.809 12.340 7.828 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.112 12.062 8.167 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.995 14.433 7.160 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.407 13.806 6.765 1.00 0.00 H new ATOM 123 N ALA A 12 -4.542 12.386 5.680 1.00 0.00 N ATOM 124 CA ALA A 12 -5.992 12.271 5.579 1.00 0.00 C ATOM 125 C ALA A 12 -6.472 12.600 4.170 1.00 0.00 C ATOM 126 O ALA A 12 -7.526 12.133 3.737 1.00 0.00 O ATOM 127 CB ALA A 12 -6.665 13.183 6.595 1.00 0.00 C ATOM 0 H ALA A 12 -4.217 12.964 6.455 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.266 11.239 5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.747 13.087 6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.355 12.899 7.601 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.376 14.216 6.404 1.00 0.00 H new ATOM 133 N LYS A 13 -5.693 13.407 3.458 1.00 0.00 N ATOM 134 CA LYS A 13 -6.038 13.799 2.096 1.00 0.00 C ATOM 135 C LYS A 13 -5.398 12.858 1.081 1.00 0.00 C ATOM 136 O LYS A 13 -5.907 12.686 -0.028 1.00 0.00 O ATOM 137 CB LYS A 13 -5.590 15.237 1.829 1.00 0.00 C ATOM 138 CG LYS A 13 -6.013 16.217 2.909 1.00 0.00 C ATOM 139 CD LYS A 13 -7.371 16.828 2.607 1.00 0.00 C ATOM 140 CE LYS A 13 -8.498 16.010 3.218 1.00 0.00 C ATOM 141 NZ LYS A 13 -9.829 16.418 2.689 1.00 0.00 N ATOM 0 H LYS A 13 -4.818 13.803 3.801 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.121 13.737 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.504 15.259 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.999 15.564 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.049 15.706 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.268 17.008 2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.407 17.846 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.510 16.892 1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.333 14.953 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.486 16.128 4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.571 15.837 3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.998 17.420 2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.849 16.282 1.658 1.00 0.00 H new ATOM 155 N CYS A 14 -4.281 12.251 1.466 1.00 0.00 N ATOM 156 CA CYS A 14 -3.571 11.327 0.588 1.00 0.00 C ATOM 157 C CYS A 14 -4.492 10.204 0.123 1.00 0.00 C ATOM 158 O CYS A 14 -5.507 9.915 0.758 1.00 0.00 O ATOM 159 CB CYS A 14 -2.355 10.741 1.307 1.00 0.00 C ATOM 160 SG CYS A 14 -0.964 11.886 1.458 1.00 0.00 S ATOM 0 H CYS A 14 -3.847 12.382 2.380 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.234 11.882 -0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.656 10.419 2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.023 9.852 0.771 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.323 12.913 2.169 1.00 0.00 H new ATOM 166 N VAL A 15 -4.133 9.574 -0.991 1.00 0.00 N ATOM 167 CA VAL A 15 -4.927 8.483 -1.543 1.00 0.00 C ATOM 168 C VAL A 15 -4.039 7.444 -2.218 1.00 0.00 C ATOM 169 O VAL A 15 -2.822 7.610 -2.299 1.00 0.00 O ATOM 170 CB VAL A 15 -5.960 9.000 -2.562 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.270 9.341 -1.869 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.413 10.206 -3.309 1.00 0.00 C ATOM 0 H VAL A 15 -3.297 9.801 -1.529 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.452 8.020 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.156 8.210 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.987 9.704 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.668 8.450 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.095 10.114 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.156 10.558 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.187 11.002 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.503 9.924 -3.839 1.00 0.00 H new ATOM 182 N LEU A 16 -4.656 6.371 -2.702 1.00 0.00 N ATOM 183 CA LEU A 16 -3.922 5.303 -3.372 1.00 0.00 C ATOM 184 C LEU A 16 -4.503 5.028 -4.756 1.00 0.00 C ATOM 185 O LEU A 16 -5.680 5.283 -5.006 1.00 0.00 O ATOM 186 CB LEU A 16 -3.957 4.027 -2.529 1.00 0.00 C ATOM 187 CG LEU A 16 -3.491 4.168 -1.079 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.211 3.168 -0.188 1.00 0.00 C ATOM 189 CD2 LEU A 16 -1.984 3.982 -0.983 1.00 0.00 C ATOM 0 H LEU A 16 -5.663 6.218 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.887 5.625 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.978 3.645 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.337 3.275 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.736 5.173 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.867 3.283 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.285 3.348 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.998 2.156 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.670 4.086 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.716 2.990 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.485 4.737 -1.590 1.00 0.00 H new ATOM 201 N GLN A 17 -3.668 4.506 -5.649 1.00 0.00 N ATOM 202 CA GLN A 17 -4.100 4.195 -7.006 1.00 0.00 C ATOM 203 C GLN A 17 -4.060 2.692 -7.259 1.00 0.00 C ATOM 204 O GLN A 17 -3.316 1.962 -6.606 1.00 0.00 O ATOM 205 CB GLN A 17 -3.216 4.919 -8.023 1.00 0.00 C ATOM 206 CG GLN A 17 -3.367 6.432 -7.993 1.00 0.00 C ATOM 207 CD GLN A 17 -2.940 7.087 -9.292 1.00 0.00 C ATOM 208 OE1 GLN A 17 -1.828 7.604 -9.403 1.00 0.00 O ATOM 209 NE2 GLN A 17 -3.824 7.068 -10.283 1.00 0.00 N ATOM 0 H GLN A 17 -2.690 4.290 -5.457 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.129 4.537 -7.120 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.174 4.662 -7.834 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.456 4.558 -9.023 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.407 6.686 -7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.772 6.837 -7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.734 6.628 -10.146 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.593 7.493 -11.181 1.00 0.00 H new ATOM 218 N GLY A 18 -4.866 2.235 -8.213 1.00 0.00 N ATOM 219 CA GLY A 18 -4.908 0.821 -8.535 1.00 0.00 C ATOM 220 C GLY A 18 -6.317 0.327 -8.796 1.00 0.00 C ATOM 221 O GLY A 18 -7.273 0.814 -8.194 1.00 0.00 O ATOM 0 H GLY A 18 -5.491 2.819 -8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.292 0.633 -9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.473 0.251 -7.714 1.00 0.00 H new ATOM 225 N GLU A 19 -6.445 -0.642 -9.697 1.00 0.00 N ATOM 226 CA GLU A 19 -7.749 -1.200 -10.037 1.00 0.00 C ATOM 227 C GLU A 19 -8.102 -2.361 -9.112 1.00 0.00 C ATOM 228 O GLU A 19 -9.245 -2.493 -8.672 1.00 0.00 O ATOM 229 CB GLU A 19 -7.763 -1.671 -11.493 1.00 0.00 C ATOM 230 CG GLU A 19 -6.765 -2.779 -11.784 1.00 0.00 C ATOM 231 CD GLU A 19 -6.355 -2.827 -13.242 1.00 0.00 C ATOM 232 OE1 GLU A 19 -7.250 -2.804 -14.113 1.00 0.00 O ATOM 233 OE2 GLU A 19 -5.137 -2.886 -13.513 1.00 0.00 O ATOM 0 H GLU A 19 -5.663 -1.056 -10.204 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.496 -0.416 -9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.765 -2.021 -11.743 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.550 -0.822 -12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.879 -2.636 -11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.200 -3.738 -11.501 1.00 0.00 H new ATOM 240 N ASP A 20 -7.114 -3.200 -8.822 1.00 0.00 N ATOM 241 CA ASP A 20 -7.319 -4.351 -7.950 1.00 0.00 C ATOM 242 C ASP A 20 -6.431 -4.260 -6.713 1.00 0.00 C ATOM 243 O ASP A 20 -5.580 -5.120 -6.482 1.00 0.00 O ATOM 244 CB ASP A 20 -7.031 -5.649 -8.706 1.00 0.00 C ATOM 245 CG ASP A 20 -8.190 -6.077 -9.584 1.00 0.00 C ATOM 246 OD1 ASP A 20 -8.441 -5.405 -10.606 1.00 0.00 O ATOM 247 OD2 ASP A 20 -8.846 -7.085 -9.249 1.00 0.00 O ATOM 0 H ASP A 20 -6.163 -3.105 -9.178 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.360 -4.351 -7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.142 -5.517 -9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.809 -6.441 -7.991 1.00 0.00 H new ATOM 252 N LEU A 21 -6.633 -3.212 -5.922 1.00 0.00 N ATOM 253 CA LEU A 21 -5.850 -3.007 -4.708 1.00 0.00 C ATOM 254 C LEU A 21 -6.303 -3.954 -3.601 1.00 0.00 C ATOM 255 O LEU A 21 -5.502 -4.387 -2.773 1.00 0.00 O ATOM 256 CB LEU A 21 -5.972 -1.557 -4.237 1.00 0.00 C ATOM 257 CG LEU A 21 -4.968 -0.570 -4.834 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.303 0.852 -4.414 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.551 -0.932 -4.416 1.00 0.00 C ATOM 0 H LEU A 21 -7.332 -2.491 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.806 -3.220 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.978 -1.205 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.868 -1.539 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.031 -0.630 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.578 1.540 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.302 1.109 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.269 0.928 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.850 -0.219 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.473 -0.902 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.313 -1.935 -4.769 1.00 0.00 H new ATOM 271 N HIS A 22 -7.594 -4.273 -3.594 1.00 0.00 N ATOM 272 CA HIS A 22 -8.154 -5.171 -2.591 1.00 0.00 C ATOM 273 C HIS A 22 -8.137 -6.614 -3.083 1.00 0.00 C ATOM 274 O HIS A 22 -8.908 -7.450 -2.612 1.00 0.00 O ATOM 275 CB HIS A 22 -9.584 -4.754 -2.244 1.00 0.00 C ATOM 276 CG HIS A 22 -9.659 -3.673 -1.210 1.00 0.00 C ATOM 277 ND1 HIS A 22 -9.841 -3.928 0.133 1.00 0.00 N ATOM 278 CD2 HIS A 22 -9.573 -2.328 -1.328 1.00 0.00 C ATOM 279 CE1 HIS A 22 -9.867 -2.786 0.796 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.706 -1.800 -0.067 1.00 0.00 N ATOM 0 H HIS A 22 -8.271 -3.923 -4.272 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.537 -5.105 -1.695 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.084 -4.414 -3.151 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.131 -5.626 -1.886 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.427 -1.773 -2.243 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.998 -2.677 1.863 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.684 -0.807 0.165 1.00 0.00 H new ATOM 289 N ARG A 23 -7.254 -6.900 -4.035 1.00 0.00 N ATOM 290 CA ARG A 23 -7.139 -8.242 -4.593 1.00 0.00 C ATOM 291 C ARG A 23 -5.719 -8.506 -5.086 1.00 0.00 C ATOM 292 O ARG A 23 -5.137 -7.689 -5.798 1.00 0.00 O ATOM 293 CB ARG A 23 -8.132 -8.426 -5.742 1.00 0.00 C ATOM 294 CG ARG A 23 -8.366 -9.880 -6.117 1.00 0.00 C ATOM 295 CD ARG A 23 -9.500 -10.489 -5.307 1.00 0.00 C ATOM 296 NE ARG A 23 -10.808 -10.023 -5.760 1.00 0.00 N ATOM 297 CZ ARG A 23 -11.899 -10.046 -5.002 1.00 0.00 C ATOM 298 NH1 ARG A 23 -11.839 -10.510 -3.762 1.00 0.00 N ATOM 299 NH2 ARG A 23 -13.053 -9.605 -5.486 1.00 0.00 N ATOM 0 H ARG A 23 -6.608 -6.220 -4.436 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.370 -8.958 -3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.084 -7.973 -5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.766 -7.888 -6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.598 -9.950 -7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.452 -10.451 -5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.456 -11.576 -5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.370 -10.237 -4.255 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.888 -9.660 -6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.954 -10.851 -3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.678 -10.526 -3.182 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.103 -9.248 -6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.890 -9.623 -4.904 1.00 0.00 H new ATOM 313 N ALA A 24 -5.168 -9.652 -4.700 1.00 0.00 N ATOM 314 CA ALA A 24 -3.818 -10.024 -5.103 1.00 0.00 C ATOM 315 C ALA A 24 -3.723 -11.519 -5.390 1.00 0.00 C ATOM 316 O ALA A 24 -4.622 -12.285 -5.045 1.00 0.00 O ATOM 317 CB ALA A 24 -2.817 -9.626 -4.028 1.00 0.00 C ATOM 0 H ALA A 24 -5.636 -10.339 -4.109 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.579 -9.488 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.813 -9.910 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.858 -8.548 -3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.063 -10.135 -3.096 1.00 0.00 H new ATOM 323 N ARG A 25 -2.628 -11.927 -6.023 1.00 0.00 N ATOM 324 CA ARG A 25 -2.417 -13.330 -6.357 1.00 0.00 C ATOM 325 C ARG A 25 -1.205 -13.889 -5.617 1.00 0.00 C ATOM 326 O ARG A 25 -0.378 -13.136 -5.104 1.00 0.00 O ATOM 327 CB ARG A 25 -2.226 -13.494 -7.866 1.00 0.00 C ATOM 328 CG ARG A 25 -2.722 -14.827 -8.401 1.00 0.00 C ATOM 329 CD ARG A 25 -2.480 -14.951 -9.898 1.00 0.00 C ATOM 330 NE ARG A 25 -3.364 -15.937 -10.515 1.00 0.00 N ATOM 331 CZ ARG A 25 -3.424 -16.152 -11.824 1.00 0.00 C ATOM 332 NH1 ARG A 25 -2.656 -15.454 -12.650 1.00 0.00 N ATOM 333 NH2 ARG A 25 -4.254 -17.066 -12.310 1.00 0.00 N ATOM 0 H ARG A 25 -1.873 -11.306 -6.315 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.300 -13.888 -6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.750 -12.688 -8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.167 -13.388 -8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.216 -15.640 -7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.787 -14.930 -8.194 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.632 -13.981 -10.371 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.442 -15.233 -10.075 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.968 -16.490 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.017 -14.750 -12.280 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.704 -15.621 -13.655 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.847 -17.604 -11.678 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.299 -17.230 -13.316 1.00 0.00 H new ATOM 347 N GLU A 26 -1.108 -15.214 -5.567 1.00 0.00 N ATOM 348 CA GLU A 26 0.002 -15.872 -4.888 1.00 0.00 C ATOM 349 C GLU A 26 1.321 -15.587 -5.600 1.00 0.00 C ATOM 350 O GLU A 26 1.439 -15.770 -6.812 1.00 0.00 O ATOM 351 CB GLU A 26 -0.237 -17.382 -4.819 1.00 0.00 C ATOM 352 CG GLU A 26 1.006 -18.179 -4.459 1.00 0.00 C ATOM 353 CD GLU A 26 1.320 -18.132 -2.976 1.00 0.00 C ATOM 354 OE1 GLU A 26 1.399 -17.015 -2.423 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.486 -19.210 -2.370 1.00 0.00 O ATOM 0 H GLU A 26 -1.784 -15.852 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 26 0.062 -15.474 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.015 -17.585 -4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.613 -17.726 -5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.869 -19.216 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.857 -17.791 -5.019 1.00 0.00 H new ATOM 362 N LYS A 27 2.313 -15.137 -4.838 1.00 0.00 N ATOM 363 CA LYS A 27 3.625 -14.826 -5.394 1.00 0.00 C ATOM 364 C LYS A 27 3.504 -13.853 -6.562 1.00 0.00 C ATOM 365 O LYS A 27 4.269 -13.927 -7.523 1.00 0.00 O ATOM 366 CB LYS A 27 4.323 -16.108 -5.853 1.00 0.00 C ATOM 367 CG LYS A 27 5.058 -16.833 -4.740 1.00 0.00 C ATOM 368 CD LYS A 27 5.913 -17.967 -5.281 1.00 0.00 C ATOM 369 CE LYS A 27 7.213 -17.449 -5.877 1.00 0.00 C ATOM 370 NZ LYS A 27 8.192 -18.547 -6.111 1.00 0.00 N ATOM 0 H LYS A 27 2.233 -14.980 -3.833 1.00 0.00 H new ATOM 0 HA LYS A 27 4.221 -14.355 -4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.582 -16.780 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.031 -15.863 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.688 -16.127 -4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.337 -17.229 -4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.134 -18.672 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.355 -18.514 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.004 -16.942 -6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.650 -16.709 -5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.065 -18.153 -6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.411 -19.015 -5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.785 -19.240 -6.771 1.00 0.00 H new ATOM 384 N GLN A 28 2.541 -12.942 -6.471 1.00 0.00 N ATOM 385 CA GLN A 28 2.322 -11.954 -7.521 1.00 0.00 C ATOM 386 C GLN A 28 2.947 -10.614 -7.146 1.00 0.00 C ATOM 387 O GLN A 28 3.057 -10.276 -5.967 1.00 0.00 O ATOM 388 CB GLN A 28 0.825 -11.778 -7.780 1.00 0.00 C ATOM 389 CG GLN A 28 0.446 -10.374 -8.225 1.00 0.00 C ATOM 390 CD GLN A 28 1.006 -10.023 -9.589 1.00 0.00 C ATOM 391 OE1 GLN A 28 1.635 -10.853 -10.247 1.00 0.00 O ATOM 392 NE2 GLN A 28 0.779 -8.789 -10.023 1.00 0.00 N ATOM 0 H GLN A 28 1.900 -12.867 -5.681 1.00 0.00 H new ATOM 0 HA GLN A 28 2.801 -12.315 -8.431 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.511 -12.490 -8.543 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.276 -12.023 -6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.640 -10.285 -8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.809 -9.654 -7.491 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.253 -8.134 -9.445 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.131 -8.496 -10.935 1.00 0.00 H new ATOM 401 N THR A 29 3.355 -9.854 -8.157 1.00 0.00 N ATOM 402 CA THR A 29 3.970 -8.551 -7.934 1.00 0.00 C ATOM 403 C THR A 29 2.933 -7.436 -7.997 1.00 0.00 C ATOM 404 O THR A 29 2.568 -6.976 -9.078 1.00 0.00 O ATOM 405 CB THR A 29 5.076 -8.268 -8.968 1.00 0.00 C ATOM 406 OG1 THR A 29 5.945 -9.401 -9.079 1.00 0.00 O ATOM 407 CG2 THR A 29 5.883 -7.040 -8.574 1.00 0.00 C ATOM 0 H THR A 29 3.271 -10.118 -9.139 1.00 0.00 H new ATOM 0 HA THR A 29 4.412 -8.576 -6.938 1.00 0.00 H new ATOM 0 HB THR A 29 4.602 -8.079 -9.931 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.644 -9.214 -9.740 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.658 -6.860 -9.319 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.224 -6.174 -8.519 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.346 -7.206 -7.601 1.00 0.00 H new ATOM 415 N ALA A 30 2.463 -7.004 -6.831 1.00 0.00 N ATOM 416 CA ALA A 30 1.470 -5.940 -6.754 1.00 0.00 C ATOM 417 C ALA A 30 2.134 -4.585 -6.531 1.00 0.00 C ATOM 418 O ALA A 30 2.933 -4.419 -5.609 1.00 0.00 O ATOM 419 CB ALA A 30 0.471 -6.230 -5.644 1.00 0.00 C ATOM 0 H ALA A 30 2.754 -7.375 -5.927 1.00 0.00 H new ATOM 0 HA ALA A 30 0.939 -5.903 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.265 -5.427 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.034 -7.174 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.995 -6.297 -4.691 1.00 0.00 H new ATOM 425 N SER A 31 1.798 -3.620 -7.380 1.00 0.00 N ATOM 426 CA SER A 31 2.364 -2.280 -7.278 1.00 0.00 C ATOM 427 C SER A 31 1.306 -1.219 -7.562 1.00 0.00 C ATOM 428 O SER A 31 0.523 -1.344 -8.504 1.00 0.00 O ATOM 429 CB SER A 31 3.534 -2.123 -8.252 1.00 0.00 C ATOM 430 OG SER A 31 3.146 -2.454 -9.574 1.00 0.00 O ATOM 0 H SER A 31 1.136 -3.741 -8.147 1.00 0.00 H new ATOM 0 HA SER A 31 2.726 -2.142 -6.259 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.900 -1.097 -8.223 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.359 -2.764 -7.941 1.00 0.00 H new ATOM 0 HG SER A 31 3.911 -2.344 -10.177 1.00 0.00 H new ATOM 436 N PHE A 32 1.288 -0.175 -6.740 1.00 0.00 N ATOM 437 CA PHE A 32 0.325 0.908 -6.901 1.00 0.00 C ATOM 438 C PHE A 32 0.997 2.265 -6.712 1.00 0.00 C ATOM 439 O PHE A 32 2.134 2.349 -6.246 1.00 0.00 O ATOM 440 CB PHE A 32 -0.823 0.751 -5.902 1.00 0.00 C ATOM 441 CG PHE A 32 -0.382 0.253 -4.556 1.00 0.00 C ATOM 442 CD1 PHE A 32 -0.259 -1.105 -4.311 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.092 1.143 -3.534 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.147 -1.567 -3.073 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.315 0.687 -2.295 1.00 0.00 C ATOM 446 CZ PHE A 32 0.433 -0.669 -2.063 1.00 0.00 C ATOM 0 H PHE A 32 1.929 -0.056 -5.956 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.075 0.858 -7.914 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.321 1.713 -5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.560 0.060 -6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.483 -1.811 -5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.185 2.205 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.240 -2.628 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.541 1.391 -1.508 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.748 -1.027 -1.094 1.00 0.00 H new ATOM 456 N THR A 33 0.286 3.327 -7.078 1.00 0.00 N ATOM 457 CA THR A 33 0.812 4.680 -6.950 1.00 0.00 C ATOM 458 C THR A 33 0.154 5.419 -5.791 1.00 0.00 C ATOM 459 O THR A 33 -1.067 5.384 -5.632 1.00 0.00 O ATOM 460 CB THR A 33 0.602 5.489 -8.245 1.00 0.00 C ATOM 461 OG1 THR A 33 1.378 4.923 -9.307 1.00 0.00 O ATOM 462 CG2 THR A 33 0.995 6.944 -8.043 1.00 0.00 C ATOM 0 H THR A 33 -0.656 3.276 -7.466 1.00 0.00 H new ATOM 0 HA THR A 33 1.881 4.586 -6.757 1.00 0.00 H new ATOM 0 HB THR A 33 -0.455 5.448 -8.506 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.238 5.441 -10.127 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.838 7.495 -8.970 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.383 7.380 -7.254 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.046 7.001 -7.760 1.00 0.00 H new ATOM 470 N LEU A 34 0.969 6.089 -4.984 1.00 0.00 N ATOM 471 CA LEU A 34 0.465 6.838 -3.838 1.00 0.00 C ATOM 472 C LEU A 34 0.520 8.340 -4.102 1.00 0.00 C ATOM 473 O LEU A 34 1.593 8.944 -4.089 1.00 0.00 O ATOM 474 CB LEU A 34 1.276 6.500 -2.586 1.00 0.00 C ATOM 475 CG LEU A 34 1.087 7.434 -1.390 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.203 7.107 -0.655 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.278 7.343 -0.448 1.00 0.00 C ATOM 0 H LEU A 34 1.981 6.129 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.575 6.553 -3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.020 5.487 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.333 6.494 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 34 1.020 8.457 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.320 7.782 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.048 7.226 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.167 6.078 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.126 8.014 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.378 6.320 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.185 7.629 -0.980 1.00 0.00 H new ATOM 489 N LEU A 35 -0.643 8.936 -4.339 1.00 0.00 N ATOM 490 CA LEU A 35 -0.728 10.368 -4.604 1.00 0.00 C ATOM 491 C LEU A 35 -0.714 11.165 -3.304 1.00 0.00 C ATOM 492 O LEU A 35 -1.493 10.893 -2.389 1.00 0.00 O ATOM 493 CB LEU A 35 -1.998 10.686 -5.396 1.00 0.00 C ATOM 494 CG LEU A 35 -2.213 9.873 -6.673 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.663 9.962 -7.125 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.279 10.354 -7.775 1.00 0.00 C ATOM 0 H LEU A 35 -1.540 8.450 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 35 0.143 10.655 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.857 10.534 -4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.982 11.743 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.984 8.829 -6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.797 9.377 -8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.313 9.570 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.920 11.003 -7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.446 9.764 -8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.477 11.405 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.245 10.238 -7.452 1.00 0.00 H new ATOM 508 N CYS A 36 0.175 12.149 -3.229 1.00 0.00 N ATOM 509 CA CYS A 36 0.290 12.986 -2.040 1.00 0.00 C ATOM 510 C CYS A 36 -0.369 14.343 -2.265 1.00 0.00 C ATOM 511 O CYS A 36 -0.053 15.048 -3.224 1.00 0.00 O ATOM 512 CB CYS A 36 1.760 13.176 -1.664 1.00 0.00 C ATOM 513 SG CYS A 36 2.673 11.630 -1.450 1.00 0.00 S ATOM 0 H CYS A 36 0.826 12.387 -3.977 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.225 12.483 -1.221 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.248 13.770 -2.437 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.816 13.750 -0.739 1.00 0.00 H new ATOM 0 HG CYS A 36 3.816 11.876 -0.881 1.00 0.00 H new ATOM 519 N LYS A 37 -1.288 14.704 -1.376 1.00 0.00 N ATOM 520 CA LYS A 37 -1.993 15.976 -1.476 1.00 0.00 C ATOM 521 C LYS A 37 -1.701 16.857 -0.266 1.00 0.00 C ATOM 522 O LYS A 37 -1.031 16.432 0.676 1.00 0.00 O ATOM 523 CB LYS A 37 -3.500 15.739 -1.596 1.00 0.00 C ATOM 524 CG LYS A 37 -3.936 15.285 -2.978 1.00 0.00 C ATOM 525 CD LYS A 37 -3.901 13.771 -3.105 1.00 0.00 C ATOM 526 CE LYS A 37 -4.017 13.331 -4.556 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.391 13.540 -5.091 1.00 0.00 N ATOM 0 H LYS A 37 -1.562 14.132 -0.577 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.640 16.489 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.801 14.989 -0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.025 16.660 -1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.945 15.644 -3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.284 15.729 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.971 13.391 -2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.716 13.337 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.303 13.888 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.752 12.277 -4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.429 13.228 -6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.070 12.989 -4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.635 14.550 -5.036 1.00 0.00 H new ATOM 541 N ASP A 38 -2.208 18.085 -0.297 1.00 0.00 N ATOM 542 CA ASP A 38 -2.004 19.024 0.799 1.00 0.00 C ATOM 543 C ASP A 38 -3.216 19.053 1.724 1.00 0.00 C ATOM 544 O ASP A 38 -4.170 18.298 1.537 1.00 0.00 O ATOM 545 CB ASP A 38 -1.730 20.427 0.252 1.00 0.00 C ATOM 546 CG ASP A 38 -3.004 21.216 0.022 1.00 0.00 C ATOM 547 OD1 ASP A 38 -4.064 20.588 -0.181 1.00 0.00 O ATOM 548 OD2 ASP A 38 -2.940 22.463 0.046 1.00 0.00 O ATOM 0 H ASP A 38 -2.763 18.453 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.140 18.691 1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.092 20.968 0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.181 20.348 -0.686 1.00 0.00 H new ATOM 553 N ALA A 39 -3.172 19.929 2.723 1.00 0.00 N ATOM 554 CA ALA A 39 -4.267 20.056 3.676 1.00 0.00 C ATOM 555 C ALA A 39 -5.586 20.337 2.963 1.00 0.00 C ATOM 556 O ALA A 39 -6.644 19.878 3.393 1.00 0.00 O ATOM 557 CB ALA A 39 -3.965 21.156 4.683 1.00 0.00 C ATOM 0 H ALA A 39 -2.390 20.561 2.893 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.365 19.109 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.791 21.240 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.050 20.914 5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.837 22.103 4.159 1.00 0.00 H new ATOM 563 N ALA A 40 -5.515 21.092 1.872 1.00 0.00 N ATOM 564 CA ALA A 40 -6.703 21.432 1.099 1.00 0.00 C ATOM 565 C ALA A 40 -7.092 20.294 0.161 1.00 0.00 C ATOM 566 O ALA A 40 -8.029 20.418 -0.626 1.00 0.00 O ATOM 567 CB ALA A 40 -6.471 22.713 0.311 1.00 0.00 C ATOM 0 H ALA A 40 -4.647 21.480 1.503 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.526 21.591 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.366 22.955 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.249 23.528 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.631 22.574 -0.370 1.00 0.00 H new ATOM 573 N GLY A 41 -6.364 19.185 0.250 1.00 0.00 N ATOM 574 CA GLY A 41 -6.648 18.041 -0.597 1.00 0.00 C ATOM 575 C GLY A 41 -6.356 18.316 -2.059 1.00 0.00 C ATOM 576 O GLY A 41 -7.049 17.812 -2.941 1.00 0.00 O ATOM 0 H GLY A 41 -5.583 19.058 0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.053 17.190 -0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.695 17.761 -0.485 1.00 0.00 H new ATOM 580 N GLU A 42 -5.327 19.119 -2.314 1.00 0.00 N ATOM 581 CA GLU A 42 -4.948 19.461 -3.680 1.00 0.00 C ATOM 582 C GLU A 42 -3.539 18.965 -3.993 1.00 0.00 C ATOM 583 O GLU A 42 -2.703 18.833 -3.099 1.00 0.00 O ATOM 584 CB GLU A 42 -5.026 20.974 -3.891 1.00 0.00 C ATOM 585 CG GLU A 42 -3.912 21.744 -3.202 1.00 0.00 C ATOM 586 CD GLU A 42 -4.330 23.146 -2.805 1.00 0.00 C ATOM 587 OE1 GLU A 42 -5.549 23.415 -2.768 1.00 0.00 O ATOM 588 OE2 GLU A 42 -3.437 23.975 -2.531 1.00 0.00 O ATOM 0 H GLU A 42 -4.742 19.544 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.647 18.971 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.995 21.185 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.987 21.334 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.594 21.198 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.050 21.801 -3.867 1.00 0.00 H new ATOM 595 N ILE A 43 -3.284 18.692 -5.268 1.00 0.00 N ATOM 596 CA ILE A 43 -1.977 18.211 -5.700 1.00 0.00 C ATOM 597 C ILE A 43 -0.877 19.197 -5.323 1.00 0.00 C ATOM 598 O ILE A 43 -1.000 20.399 -5.557 1.00 0.00 O ATOM 599 CB ILE A 43 -1.939 17.974 -7.221 1.00 0.00 C ATOM 600 CG1 ILE A 43 -3.098 17.070 -7.648 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.607 17.363 -7.628 1.00 0.00 C ATOM 602 CD1 ILE A 43 -3.032 15.681 -7.052 1.00 0.00 C ATOM 0 H ILE A 43 -3.965 18.796 -6.020 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.804 17.264 -5.189 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.047 18.934 -7.726 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.039 17.537 -7.357 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.105 16.990 -8.735 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.595 17.201 -8.706 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.203 18.039 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.473 16.410 -7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.884 15.096 -7.398 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.108 15.195 -7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.056 15.750 -5.964 1.00 0.00 H new ATOM 614 N MET A 44 0.199 18.680 -4.739 1.00 0.00 N ATOM 615 CA MET A 44 1.323 19.515 -4.333 1.00 0.00 C ATOM 616 C MET A 44 2.535 19.269 -5.226 1.00 0.00 C ATOM 617 O MET A 44 3.276 20.195 -5.553 1.00 0.00 O ATOM 618 CB MET A 44 1.687 19.241 -2.872 1.00 0.00 C ATOM 619 CG MET A 44 2.151 17.816 -2.618 1.00 0.00 C ATOM 620 SD MET A 44 1.908 17.301 -0.908 1.00 0.00 S ATOM 621 CE MET A 44 2.884 18.529 -0.042 1.00 0.00 C ATOM 0 H MET A 44 0.316 17.687 -4.536 1.00 0.00 H new ATOM 0 HA MET A 44 1.024 20.558 -4.437 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.474 19.930 -2.567 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.820 19.449 -2.245 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.609 17.139 -3.278 1.00 0.00 H new ATOM 0 HG3 MET A 44 3.208 17.731 -2.872 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.790 18.065 0.348 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.154 19.330 -0.730 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.303 18.940 0.783 1.00 0.00 H new ATOM 631 N GLY A 45 2.731 18.013 -5.617 1.00 0.00 N ATOM 632 CA GLY A 45 3.854 17.668 -6.468 1.00 0.00 C ATOM 633 C GLY A 45 5.135 18.360 -6.047 1.00 0.00 C ATOM 634 O GLY A 45 5.786 19.022 -6.856 1.00 0.00 O ATOM 0 H GLY A 45 2.132 17.229 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.004 16.589 -6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.621 17.937 -7.498 1.00 0.00 H new ATOM 638 N ARG A 46 5.497 18.210 -4.777 1.00 0.00 N ATOM 639 CA ARG A 46 6.707 18.828 -4.249 1.00 0.00 C ATOM 640 C ARG A 46 7.708 17.768 -3.799 1.00 0.00 C ATOM 641 O ARG A 46 8.903 18.037 -3.685 1.00 0.00 O ATOM 642 CB ARG A 46 6.364 19.751 -3.078 1.00 0.00 C ATOM 643 CG ARG A 46 5.683 21.043 -3.499 1.00 0.00 C ATOM 644 CD ARG A 46 6.645 21.967 -4.230 1.00 0.00 C ATOM 645 NE ARG A 46 7.329 22.878 -3.316 1.00 0.00 N ATOM 646 CZ ARG A 46 8.383 23.609 -3.660 1.00 0.00 C ATOM 647 NH1 ARG A 46 8.871 23.538 -4.891 1.00 0.00 N ATOM 648 NH2 ARG A 46 8.952 24.415 -2.772 1.00 0.00 N ATOM 0 H ARG A 46 4.969 17.666 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 46 7.162 19.416 -5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.714 19.217 -2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.279 19.992 -2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.835 20.815 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.287 21.550 -2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.383 21.371 -4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.098 22.544 -4.975 1.00 0.00 H new ATOM 0 HE ARG A 46 6.978 22.957 -2.362 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.437 22.921 -5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.681 24.101 -5.152 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.580 24.473 -1.824 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.762 24.976 -3.037 1.00 0.00 H new ATOM 662 N GLY A 47 7.210 16.562 -3.544 1.00 0.00 N ATOM 663 CA GLY A 47 8.074 15.480 -3.109 1.00 0.00 C ATOM 664 C GLY A 47 8.643 15.713 -1.724 1.00 0.00 C ATOM 665 O GLY A 47 9.291 16.729 -1.475 1.00 0.00 O ATOM 0 H GLY A 47 6.224 16.315 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.512 14.546 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.892 15.365 -3.820 1.00 0.00 H new ATOM 669 N GLY A 48 8.398 14.770 -0.819 1.00 0.00 N ATOM 670 CA GLY A 48 8.897 14.898 0.538 1.00 0.00 C ATOM 671 C GLY A 48 7.897 14.417 1.571 1.00 0.00 C ATOM 672 O GLY A 48 7.411 15.201 2.387 1.00 0.00 O ATOM 0 H GLY A 48 7.863 13.921 -1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.820 14.328 0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.144 15.941 0.734 1.00 0.00 H new ATOM 676 N ASP A 49 7.587 13.126 1.535 1.00 0.00 N ATOM 677 CA ASP A 49 6.637 12.541 2.475 1.00 0.00 C ATOM 678 C ASP A 49 7.103 11.162 2.931 1.00 0.00 C ATOM 679 O ASP A 49 7.447 10.310 2.113 1.00 0.00 O ATOM 680 CB ASP A 49 5.252 12.439 1.835 1.00 0.00 C ATOM 681 CG ASP A 49 4.933 13.628 0.950 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.007 14.772 1.445 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.610 13.414 -0.237 1.00 0.00 O ATOM 0 H ASP A 49 7.979 12.464 0.865 1.00 0.00 H new ATOM 0 HA ASP A 49 6.579 13.192 3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.195 11.525 1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.498 12.360 2.618 1.00 0.00 H new ATOM 688 N ASN A 50 7.113 10.950 4.243 1.00 0.00 N ATOM 689 CA ASN A 50 7.538 9.675 4.808 1.00 0.00 C ATOM 690 C ASN A 50 6.461 8.611 4.623 1.00 0.00 C ATOM 691 O ASN A 50 5.499 8.545 5.389 1.00 0.00 O ATOM 692 CB ASN A 50 7.862 9.835 6.295 1.00 0.00 C ATOM 693 CG ASN A 50 8.930 10.882 6.545 1.00 0.00 C ATOM 694 OD1 ASN A 50 8.633 11.999 6.970 1.00 0.00 O ATOM 695 ND2 ASN A 50 10.182 10.525 6.280 1.00 0.00 N ATOM 0 H ASN A 50 6.832 11.645 4.935 1.00 0.00 H new ATOM 0 HA ASN A 50 8.435 9.354 4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.955 10.109 6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.194 8.878 6.697 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.943 11.188 6.427 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.382 9.588 5.929 1.00 0.00 H new ATOM 702 N VAL A 51 6.628 7.778 3.600 1.00 0.00 N ATOM 703 CA VAL A 51 5.672 6.716 3.314 1.00 0.00 C ATOM 704 C VAL A 51 6.074 5.415 4.000 1.00 0.00 C ATOM 705 O VAL A 51 7.215 4.969 3.885 1.00 0.00 O ATOM 706 CB VAL A 51 5.545 6.467 1.799 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.550 5.350 1.523 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.137 7.745 1.082 1.00 0.00 C ATOM 0 H VAL A 51 7.417 7.819 2.955 1.00 0.00 H new ATOM 0 HA VAL A 51 4.708 7.045 3.702 1.00 0.00 H new ATOM 0 HB VAL A 51 6.517 6.157 1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.473 5.188 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.890 4.433 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.573 5.627 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.052 7.551 0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.176 8.087 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.890 8.514 1.252 1.00 0.00 H new ATOM 718 N GLN A 52 5.128 4.812 4.713 1.00 0.00 N ATOM 719 CA GLN A 52 5.385 3.561 5.418 1.00 0.00 C ATOM 720 C GLN A 52 4.432 2.467 4.950 1.00 0.00 C ATOM 721 O GLN A 52 3.212 2.634 4.985 1.00 0.00 O ATOM 722 CB GLN A 52 5.244 3.765 6.928 1.00 0.00 C ATOM 723 CG GLN A 52 6.499 4.314 7.587 1.00 0.00 C ATOM 724 CD GLN A 52 6.628 3.894 9.038 1.00 0.00 C ATOM 725 OE1 GLN A 52 5.963 4.444 9.917 1.00 0.00 O ATOM 726 NE2 GLN A 52 7.486 2.915 9.297 1.00 0.00 N ATOM 0 H GLN A 52 4.178 5.169 4.818 1.00 0.00 H new ATOM 0 HA GLN A 52 6.405 3.249 5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.415 4.447 7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.986 2.813 7.392 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.374 3.972 7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.490 5.402 7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.016 2.488 8.538 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.615 2.590 10.255 1.00 0.00 H new ATOM 735 N VAL A 53 4.996 1.346 4.510 1.00 0.00 N ATOM 736 CA VAL A 53 4.196 0.224 4.035 1.00 0.00 C ATOM 737 C VAL A 53 4.554 -1.059 4.776 1.00 0.00 C ATOM 738 O VAL A 53 5.712 -1.476 4.793 1.00 0.00 O ATOM 739 CB VAL A 53 4.386 0.000 2.523 1.00 0.00 C ATOM 740 CG1 VAL A 53 3.552 -1.181 2.049 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.029 1.260 1.749 1.00 0.00 C ATOM 0 H VAL A 53 6.004 1.191 4.473 1.00 0.00 H new ATOM 0 HA VAL A 53 3.153 0.474 4.230 1.00 0.00 H new ATOM 0 HB VAL A 53 5.435 -0.229 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.699 -1.324 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.860 -2.081 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.498 -0.985 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.169 1.084 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.988 1.522 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.674 2.079 2.069 1.00 0.00 H new ATOM 751 N ALA A 54 3.553 -1.681 5.389 1.00 0.00 N ATOM 752 CA ALA A 54 3.762 -2.919 6.131 1.00 0.00 C ATOM 753 C ALA A 54 2.618 -3.900 5.895 1.00 0.00 C ATOM 754 O ALA A 54 1.482 -3.654 6.302 1.00 0.00 O ATOM 755 CB ALA A 54 3.910 -2.625 7.617 1.00 0.00 C ATOM 0 H ALA A 54 2.589 -1.348 5.387 1.00 0.00 H new ATOM 0 HA ALA A 54 4.681 -3.380 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.065 -3.558 8.159 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.765 -1.967 7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.006 -2.139 7.984 1.00 0.00 H new ATOM 761 N VAL A 55 2.925 -5.012 5.235 1.00 0.00 N ATOM 762 CA VAL A 55 1.923 -6.031 4.946 1.00 0.00 C ATOM 763 C VAL A 55 2.036 -7.203 5.913 1.00 0.00 C ATOM 764 O VAL A 55 3.095 -7.817 6.041 1.00 0.00 O ATOM 765 CB VAL A 55 2.055 -6.554 3.504 1.00 0.00 C ATOM 766 CG1 VAL A 55 1.094 -7.708 3.264 1.00 0.00 C ATOM 767 CG2 VAL A 55 1.813 -5.432 2.505 1.00 0.00 C ATOM 0 H VAL A 55 3.860 -5.230 4.890 1.00 0.00 H new ATOM 0 HA VAL A 55 0.948 -5.559 5.065 1.00 0.00 H new ATOM 0 HB VAL A 55 3.071 -6.923 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.202 -8.064 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.320 -8.519 3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.071 -7.369 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.910 -5.820 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.809 -5.030 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.546 -4.640 2.662 1.00 0.00 H new ATOM 777 N VAL A 56 0.936 -7.511 6.594 1.00 0.00 N ATOM 778 CA VAL A 56 0.910 -8.611 7.549 1.00 0.00 C ATOM 779 C VAL A 56 -0.317 -9.491 7.341 1.00 0.00 C ATOM 780 O VAL A 56 -1.456 -9.022 7.344 1.00 0.00 O ATOM 781 CB VAL A 56 0.919 -8.095 9.000 1.00 0.00 C ATOM 782 CG1 VAL A 56 0.952 -9.258 9.980 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.099 -7.163 9.227 1.00 0.00 C ATOM 0 H VAL A 56 0.051 -7.013 6.501 1.00 0.00 H new ATOM 0 HA VAL A 56 1.810 -9.201 7.376 1.00 0.00 H new ATOM 0 HB VAL A 56 0.002 -7.531 9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.958 -8.874 11.000 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.071 -9.883 9.833 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.850 -9.851 9.810 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.089 -6.808 10.258 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.028 -7.700 9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.026 -6.312 8.550 1.00 0.00 H new ATOM 793 N PRO A 57 -0.084 -10.799 7.157 1.00 0.00 N ATOM 794 CA PRO A 57 -1.159 -11.773 6.945 1.00 0.00 C ATOM 795 C PRO A 57 -1.992 -11.999 8.202 1.00 0.00 C ATOM 796 O PRO A 57 -1.455 -12.268 9.276 1.00 0.00 O ATOM 797 CB PRO A 57 -0.409 -13.052 6.564 1.00 0.00 C ATOM 798 CG PRO A 57 0.939 -12.899 7.181 1.00 0.00 C ATOM 799 CD PRO A 57 1.248 -11.428 7.142 1.00 0.00 C ATOM 0 HA PRO A 57 -1.869 -11.438 6.189 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.919 -13.938 6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.339 -13.162 5.482 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.944 -13.272 8.205 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.687 -13.470 6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.847 -11.120 7.999 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.809 -11.159 6.247 1.00 0.00 H new ATOM 807 N LYS A 58 -3.309 -11.888 8.061 1.00 0.00 N ATOM 808 CA LYS A 58 -4.218 -12.082 9.184 1.00 0.00 C ATOM 809 C LYS A 58 -3.978 -13.432 9.852 1.00 0.00 C ATOM 810 O LYS A 58 -4.158 -13.577 11.061 1.00 0.00 O ATOM 811 CB LYS A 58 -5.671 -11.985 8.713 1.00 0.00 C ATOM 812 CG LYS A 58 -6.662 -11.754 9.840 1.00 0.00 C ATOM 813 CD LYS A 58 -7.873 -10.968 9.366 1.00 0.00 C ATOM 814 CE LYS A 58 -7.646 -9.468 9.487 1.00 0.00 C ATOM 815 NZ LYS A 58 -7.563 -9.033 10.909 1.00 0.00 N ATOM 0 H LYS A 58 -3.770 -11.665 7.179 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.026 -11.296 9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.757 -11.172 7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.936 -12.904 8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.985 -12.713 10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.172 -11.215 10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.090 -11.222 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.746 -11.254 9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.726 -9.197 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.458 -8.936 8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.814 -8.026 10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.223 -9.595 11.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.594 -9.173 11.259 1.00 0.00 H new ATOM 829 N ASP A 59 -3.570 -14.415 9.058 1.00 0.00 N ATOM 830 CA ASP A 59 -3.302 -15.753 9.573 1.00 0.00 C ATOM 831 C ASP A 59 -2.126 -15.736 10.545 1.00 0.00 C ATOM 832 O ASP A 59 -2.288 -15.999 11.737 1.00 0.00 O ATOM 833 CB ASP A 59 -3.015 -16.718 8.422 1.00 0.00 C ATOM 834 CG ASP A 59 -2.699 -18.120 8.906 1.00 0.00 C ATOM 835 OD1 ASP A 59 -3.576 -18.737 9.547 1.00 0.00 O ATOM 836 OD2 ASP A 59 -1.576 -18.599 8.646 1.00 0.00 O ATOM 0 H ASP A 59 -3.417 -14.311 8.055 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.188 -16.093 10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.878 -16.752 7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.176 -16.341 7.837 1.00 0.00 H new ATOM 841 N LYS A 60 -0.943 -15.425 10.028 1.00 0.00 N ATOM 842 CA LYS A 60 0.262 -15.373 10.848 1.00 0.00 C ATOM 843 C LYS A 60 0.613 -13.933 11.207 1.00 0.00 C ATOM 844 O LYS A 60 0.543 -13.037 10.366 1.00 0.00 O ATOM 845 CB LYS A 60 1.433 -16.027 10.113 1.00 0.00 C ATOM 846 CG LYS A 60 1.261 -17.521 9.901 1.00 0.00 C ATOM 847 CD LYS A 60 1.655 -18.309 11.140 1.00 0.00 C ATOM 848 CE LYS A 60 2.080 -19.726 10.787 1.00 0.00 C ATOM 849 NZ LYS A 60 1.839 -20.673 11.911 1.00 0.00 N ATOM 0 H LYS A 60 -0.792 -15.205 9.044 1.00 0.00 H new ATOM 0 HA LYS A 60 0.068 -15.922 11.770 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.558 -15.543 9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.349 -15.852 10.678 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.223 -17.736 9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.870 -17.842 9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.472 -17.800 11.652 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.815 -18.342 11.834 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.532 -20.061 9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.138 -19.734 10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.142 -21.628 11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.382 -20.368 12.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.825 -20.685 12.143 1.00 0.00 H new ATOM 863 N LYS A 61 0.994 -13.717 12.462 1.00 0.00 N ATOM 864 CA LYS A 61 1.360 -12.387 12.933 1.00 0.00 C ATOM 865 C LYS A 61 2.828 -12.091 12.642 1.00 0.00 C ATOM 866 O LYS A 61 3.163 -11.036 12.103 1.00 0.00 O ATOM 867 CB LYS A 61 1.092 -12.263 14.435 1.00 0.00 C ATOM 868 CG LYS A 61 -0.383 -12.155 14.782 1.00 0.00 C ATOM 869 CD LYS A 61 -0.620 -12.348 16.271 1.00 0.00 C ATOM 870 CE LYS A 61 -0.347 -11.071 17.050 1.00 0.00 C ATOM 871 NZ LYS A 61 -0.816 -11.170 18.460 1.00 0.00 N ATOM 0 H LYS A 61 1.057 -14.447 13.171 1.00 0.00 H new ATOM 0 HA LYS A 61 0.748 -11.660 12.400 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.514 -13.130 14.944 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.612 -11.385 14.817 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.759 -11.179 14.476 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.945 -12.903 14.223 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.650 -12.664 16.438 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.023 -13.146 16.642 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.722 -10.859 17.037 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.844 -10.234 16.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.612 -10.280 18.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.841 -11.347 18.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.323 -11.953 18.936 1.00 0.00 H new ATOM 885 N ASP A 62 3.697 -13.029 13.000 1.00 0.00 N ATOM 886 CA ASP A 62 5.129 -12.870 12.775 1.00 0.00 C ATOM 887 C ASP A 62 5.450 -12.889 11.283 1.00 0.00 C ATOM 888 O ASP A 62 5.899 -11.890 10.722 1.00 0.00 O ATOM 889 CB ASP A 62 5.906 -13.976 13.491 1.00 0.00 C ATOM 890 CG ASP A 62 7.335 -13.574 13.799 1.00 0.00 C ATOM 891 OD1 ASP A 62 8.207 -13.763 12.925 1.00 0.00 O ATOM 892 OD2 ASP A 62 7.581 -13.069 14.914 1.00 0.00 O ATOM 0 H ASP A 62 3.435 -13.908 13.447 1.00 0.00 H new ATOM 0 HA ASP A 62 5.430 -11.904 13.181 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.396 -14.232 14.419 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.910 -14.873 12.872 1.00 0.00 H new ATOM 897 N SER A 63 5.218 -14.033 10.648 1.00 0.00 N ATOM 898 CA SER A 63 5.487 -14.184 9.223 1.00 0.00 C ATOM 899 C SER A 63 5.271 -12.866 8.487 1.00 0.00 C ATOM 900 O SER A 63 4.156 -12.517 8.098 1.00 0.00 O ATOM 901 CB SER A 63 4.589 -15.269 8.625 1.00 0.00 C ATOM 902 OG SER A 63 4.666 -15.272 7.210 1.00 0.00 O ATOM 0 H SER A 63 4.844 -14.869 11.098 1.00 0.00 H new ATOM 0 HA SER A 63 6.529 -14.479 9.104 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.886 -16.244 9.011 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.557 -15.104 8.936 1.00 0.00 H new ATOM 0 HG SER A 63 4.085 -15.975 6.852 1.00 0.00 H new ATOM 908 N PRO A 64 6.364 -12.113 8.289 1.00 0.00 N ATOM 909 CA PRO A 64 6.321 -10.821 7.598 1.00 0.00 C ATOM 910 C PRO A 64 6.035 -10.970 6.108 1.00 0.00 C ATOM 911 O PRO A 64 5.799 -12.075 5.618 1.00 0.00 O ATOM 912 CB PRO A 64 7.726 -10.255 7.819 1.00 0.00 C ATOM 913 CG PRO A 64 8.589 -11.451 8.029 1.00 0.00 C ATOM 914 CD PRO A 64 7.726 -12.466 8.725 1.00 0.00 C ATOM 0 HA PRO A 64 5.524 -10.182 7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.058 -9.674 6.959 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.754 -9.591 8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.958 -11.838 7.079 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.462 -11.201 8.632 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.989 -13.483 8.436 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.829 -12.406 9.808 1.00 0.00 H new ATOM 922 N VAL A 65 6.057 -9.851 5.391 1.00 0.00 N ATOM 923 CA VAL A 65 5.802 -9.858 3.955 1.00 0.00 C ATOM 924 C VAL A 65 6.776 -8.945 3.219 1.00 0.00 C ATOM 925 O VAL A 65 6.917 -7.770 3.557 1.00 0.00 O ATOM 926 CB VAL A 65 4.361 -9.413 3.640 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.159 -9.283 2.138 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.360 -10.390 4.238 1.00 0.00 C ATOM 0 H VAL A 65 6.249 -8.928 5.781 1.00 0.00 H new ATOM 0 HA VAL A 65 5.942 -10.884 3.613 1.00 0.00 H new ATOM 0 HB VAL A 65 4.194 -8.435 4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.136 -8.968 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.853 -8.542 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.344 -10.246 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.347 -10.061 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.524 -11.382 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.490 -10.428 5.319 1.00 0.00 H new ATOM 938 N ARG A 66 7.446 -9.494 2.211 1.00 0.00 N ATOM 939 CA ARG A 66 8.409 -8.730 1.427 1.00 0.00 C ATOM 940 C ARG A 66 7.748 -7.508 0.796 1.00 0.00 C ATOM 941 O ARG A 66 6.754 -7.627 0.078 1.00 0.00 O ATOM 942 CB ARG A 66 9.025 -9.609 0.338 1.00 0.00 C ATOM 943 CG ARG A 66 10.151 -10.499 0.838 1.00 0.00 C ATOM 944 CD ARG A 66 11.500 -9.805 0.730 1.00 0.00 C ATOM 945 NE ARG A 66 11.723 -8.870 1.830 1.00 0.00 N ATOM 946 CZ ARG A 66 12.623 -7.893 1.792 1.00 0.00 C ATOM 947 NH1 ARG A 66 13.378 -7.724 0.716 1.00 0.00 N ATOM 948 NH2 ARG A 66 12.767 -7.083 2.833 1.00 0.00 N ATOM 0 H ARG A 66 7.340 -10.465 1.918 1.00 0.00 H new ATOM 0 HA ARG A 66 9.198 -8.390 2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.245 -10.234 -0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.405 -8.971 -0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.965 -10.775 1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.169 -11.424 0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.293 -10.553 0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.558 -9.270 -0.218 1.00 0.00 H new ATOM 0 HE ARG A 66 11.157 -8.973 2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.269 -8.345 -0.086 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.068 -6.973 0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.187 -7.210 3.662 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.458 -6.333 2.804 1.00 0.00 H new ATOM 962 N THR A 67 8.305 -6.332 1.069 1.00 0.00 N ATOM 963 CA THR A 67 7.770 -5.089 0.530 1.00 0.00 C ATOM 964 C THR A 67 8.884 -4.197 -0.006 1.00 0.00 C ATOM 965 O THR A 67 10.039 -4.319 0.400 1.00 0.00 O ATOM 966 CB THR A 67 6.974 -4.311 1.596 1.00 0.00 C ATOM 967 OG1 THR A 67 7.715 -4.259 2.820 1.00 0.00 O ATOM 968 CG2 THR A 67 5.622 -4.963 1.843 1.00 0.00 C ATOM 0 H THR A 67 9.127 -6.215 1.661 1.00 0.00 H new ATOM 0 HA THR A 67 7.101 -5.361 -0.287 1.00 0.00 H new ATOM 0 HB THR A 67 6.810 -3.298 1.228 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.203 -3.762 3.491 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.078 -4.397 2.599 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.049 -4.975 0.916 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.769 -5.985 2.191 1.00 0.00 H new ATOM 976 N MET A 68 8.529 -3.301 -0.921 1.00 0.00 N ATOM 977 CA MET A 68 9.500 -2.387 -1.512 1.00 0.00 C ATOM 978 C MET A 68 8.972 -0.956 -1.506 1.00 0.00 C ATOM 979 O MET A 68 7.762 -0.729 -1.499 1.00 0.00 O ATOM 980 CB MET A 68 9.830 -2.815 -2.943 1.00 0.00 C ATOM 981 CG MET A 68 11.242 -2.454 -3.374 1.00 0.00 C ATOM 982 SD MET A 68 11.358 -0.784 -4.045 1.00 0.00 S ATOM 983 CE MET A 68 11.560 -1.134 -5.790 1.00 0.00 C ATOM 0 H MET A 68 7.577 -3.188 -1.269 1.00 0.00 H new ATOM 0 HA MET A 68 10.409 -2.423 -0.911 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.696 -3.893 -3.031 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.120 -2.349 -3.626 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.913 -2.546 -2.520 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.582 -3.167 -4.125 1.00 0.00 H new ATOM 0 HE1 MET A 68 11.610 -0.198 -6.345 1.00 0.00 H new ATOM 0 HE2 MET A 68 12.480 -1.697 -5.944 1.00 0.00 H new ATOM 0 HE3 MET A 68 10.712 -1.721 -6.144 1.00 0.00 H new ATOM 993 N VAL A 69 9.888 0.008 -1.510 1.00 0.00 N ATOM 994 CA VAL A 69 9.515 1.417 -1.506 1.00 0.00 C ATOM 995 C VAL A 69 10.465 2.240 -2.370 1.00 0.00 C ATOM 996 O VAL A 69 11.677 2.230 -2.158 1.00 0.00 O ATOM 997 CB VAL A 69 9.510 1.993 -0.077 1.00 0.00 C ATOM 998 CG1 VAL A 69 10.914 1.983 0.508 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.931 3.400 -0.072 1.00 0.00 C ATOM 0 H VAL A 69 10.894 -0.162 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 69 8.508 1.478 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 69 8.878 1.362 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.890 2.393 1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.287 0.959 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.572 2.589 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.935 3.792 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.535 4.044 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.908 3.374 -0.447 1.00 0.00 H new ATOM 1009 N GLN A 70 9.905 2.951 -3.343 1.00 0.00 N ATOM 1010 CA GLN A 70 10.704 3.779 -4.239 1.00 0.00 C ATOM 1011 C GLN A 70 10.398 5.258 -4.030 1.00 0.00 C ATOM 1012 O GLN A 70 9.242 5.678 -4.092 1.00 0.00 O ATOM 1013 CB GLN A 70 10.439 3.393 -5.696 1.00 0.00 C ATOM 1014 CG GLN A 70 11.523 3.858 -6.655 1.00 0.00 C ATOM 1015 CD GLN A 70 12.708 2.912 -6.700 1.00 0.00 C ATOM 1016 OE1 GLN A 70 12.677 1.894 -7.391 1.00 0.00 O ATOM 1017 NE2 GLN A 70 13.760 3.245 -5.961 1.00 0.00 N ATOM 0 H GLN A 70 8.903 2.971 -3.531 1.00 0.00 H new ATOM 0 HA GLN A 70 11.756 3.608 -4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.345 2.309 -5.765 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.484 3.816 -6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.101 3.954 -7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.865 4.849 -6.357 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.742 4.099 -5.403 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.586 2.647 -5.951 1.00 0.00 H new ATOM 1026 N ASP A 71 11.441 6.043 -3.782 1.00 0.00 N ATOM 1027 CA ASP A 71 11.284 7.477 -3.564 1.00 0.00 C ATOM 1028 C ASP A 71 11.514 8.251 -4.858 1.00 0.00 C ATOM 1029 O ASP A 71 12.624 8.280 -5.387 1.00 0.00 O ATOM 1030 CB ASP A 71 12.256 7.960 -2.487 1.00 0.00 C ATOM 1031 CG ASP A 71 13.605 7.275 -2.575 1.00 0.00 C ATOM 1032 OD1 ASP A 71 14.221 7.315 -3.661 1.00 0.00 O ATOM 1033 OD2 ASP A 71 14.046 6.700 -1.558 1.00 0.00 O ATOM 0 H ASP A 71 12.404 5.711 -3.727 1.00 0.00 H new ATOM 0 HA ASP A 71 10.263 7.659 -3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.392 9.037 -2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.823 7.778 -1.503 1.00 0.00 H new ATOM 1038 N ASN A 72 10.456 8.878 -5.363 1.00 0.00 N ATOM 1039 CA ASN A 72 10.542 9.652 -6.596 1.00 0.00 C ATOM 1040 C ASN A 72 10.540 11.148 -6.301 1.00 0.00 C ATOM 1041 O ASN A 72 11.126 11.940 -7.040 1.00 0.00 O ATOM 1042 CB ASN A 72 9.378 9.302 -7.525 1.00 0.00 C ATOM 1043 CG ASN A 72 9.671 8.092 -8.390 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.740 7.990 -8.993 1.00 0.00 O ATOM 1045 ND2 ASN A 72 8.721 7.166 -8.454 1.00 0.00 N ATOM 0 H ASN A 72 9.529 8.865 -4.937 1.00 0.00 H new ATOM 0 HA ASN A 72 11.480 9.399 -7.089 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.486 9.111 -6.929 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.157 10.157 -8.164 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.862 6.329 -9.020 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.850 7.292 -7.938 1.00 0.00 H new ATOM 1052 N LYS A 73 9.877 11.530 -5.214 1.00 0.00 N ATOM 1053 CA LYS A 73 9.799 12.931 -4.818 1.00 0.00 C ATOM 1054 C LYS A 73 9.223 13.784 -5.944 1.00 0.00 C ATOM 1055 O LYS A 73 9.619 14.935 -6.128 1.00 0.00 O ATOM 1056 CB LYS A 73 11.185 13.450 -4.428 1.00 0.00 C ATOM 1057 CG LYS A 73 11.846 12.647 -3.321 1.00 0.00 C ATOM 1058 CD LYS A 73 11.501 13.201 -1.949 1.00 0.00 C ATOM 1059 CE LYS A 73 12.429 14.340 -1.557 1.00 0.00 C ATOM 1060 NZ LYS A 73 12.532 14.488 -0.079 1.00 0.00 N ATOM 0 H LYS A 73 9.386 10.888 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 73 9.135 13.003 -3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.829 13.439 -5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.098 14.489 -4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.528 11.607 -3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.927 12.658 -3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.470 13.554 -1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.567 12.405 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.420 14.161 -1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.064 15.271 -1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.464 14.879 0.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.787 15.130 0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.417 13.558 0.372 1.00 0.00 H new ATOM 1074 N ASP A 74 8.286 13.213 -6.693 1.00 0.00 N ATOM 1075 CA ASP A 74 7.654 13.922 -7.799 1.00 0.00 C ATOM 1076 C ASP A 74 6.147 14.027 -7.587 1.00 0.00 C ATOM 1077 O ASP A 74 5.377 14.079 -8.545 1.00 0.00 O ATOM 1078 CB ASP A 74 7.947 13.211 -9.122 1.00 0.00 C ATOM 1079 CG ASP A 74 9.351 13.480 -9.625 1.00 0.00 C ATOM 1080 OD1 ASP A 74 9.837 14.616 -9.446 1.00 0.00 O ATOM 1081 OD2 ASP A 74 9.963 12.556 -10.199 1.00 0.00 O ATOM 0 H ASP A 74 7.947 12.261 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 74 8.068 14.929 -7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.810 12.137 -8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.227 13.536 -9.873 1.00 0.00 H new ATOM 1086 N GLY A 75 5.733 14.058 -6.323 1.00 0.00 N ATOM 1087 CA GLY A 75 4.320 14.156 -6.008 1.00 0.00 C ATOM 1088 C GLY A 75 3.687 12.801 -5.758 1.00 0.00 C ATOM 1089 O GLY A 75 2.629 12.707 -5.134 1.00 0.00 O ATOM 0 H GLY A 75 6.351 14.017 -5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.190 14.783 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.801 14.650 -6.829 1.00 0.00 H new ATOM 1093 N THR A 76 4.334 11.748 -6.247 1.00 0.00 N ATOM 1094 CA THR A 76 3.826 10.392 -6.076 1.00 0.00 C ATOM 1095 C THR A 76 4.954 9.419 -5.755 1.00 0.00 C ATOM 1096 O THR A 76 6.131 9.742 -5.920 1.00 0.00 O ATOM 1097 CB THR A 76 3.087 9.906 -7.337 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.024 9.664 -8.392 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.058 10.931 -7.790 1.00 0.00 C ATOM 0 H THR A 76 5.211 11.808 -6.765 1.00 0.00 H new ATOM 0 HA THR A 76 3.125 10.420 -5.241 1.00 0.00 H new ATOM 0 HB THR A 76 2.569 8.978 -7.093 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.546 9.354 -9.189 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.549 10.566 -8.682 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.329 11.090 -6.996 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.558 11.872 -8.017 1.00 0.00 H new ATOM 1107 N TYR A 77 4.589 8.227 -5.297 1.00 0.00 N ATOM 1108 CA TYR A 77 5.572 7.207 -4.952 1.00 0.00 C ATOM 1109 C TYR A 77 5.281 5.901 -5.685 1.00 0.00 C ATOM 1110 O TYR A 77 4.297 5.791 -6.416 1.00 0.00 O ATOM 1111 CB TYR A 77 5.579 6.966 -3.441 1.00 0.00 C ATOM 1112 CG TYR A 77 6.413 7.965 -2.673 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.927 9.237 -2.393 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.688 7.639 -2.227 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.686 10.153 -1.691 1.00 0.00 C ATOM 1116 CE2 TYR A 77 8.454 8.549 -1.524 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.949 9.805 -1.259 1.00 0.00 C ATOM 1118 OH TYR A 77 8.709 10.714 -0.560 1.00 0.00 O ATOM 0 H TYR A 77 3.619 7.943 -5.156 1.00 0.00 H new ATOM 0 HA TYR A 77 6.554 7.565 -5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.554 7.000 -3.071 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.956 5.962 -3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.939 9.514 -2.730 1.00 0.00 H new ATOM 0 HD2 TYR A 77 8.087 6.657 -2.433 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.293 11.137 -1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.443 8.278 -1.184 1.00 0.00 H new ATOM 0 HH TYR A 77 8.505 10.644 0.396 1.00 0.00 H new ATOM 1128 N TYR A 78 6.145 4.912 -5.482 1.00 0.00 N ATOM 1129 CA TYR A 78 5.984 3.613 -6.124 1.00 0.00 C ATOM 1130 C TYR A 78 6.214 2.480 -5.128 1.00 0.00 C ATOM 1131 O TYR A 78 7.351 2.189 -4.755 1.00 0.00 O ATOM 1132 CB TYR A 78 6.953 3.478 -7.300 1.00 0.00 C ATOM 1133 CG TYR A 78 6.435 2.596 -8.414 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.180 2.811 -8.969 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.200 1.548 -8.910 1.00 0.00 C ATOM 1136 CE1 TYR A 78 4.702 2.008 -9.987 1.00 0.00 C ATOM 1137 CE2 TYR A 78 6.731 0.741 -9.928 1.00 0.00 C ATOM 1138 CZ TYR A 78 5.482 0.974 -10.463 1.00 0.00 C ATOM 1139 OH TYR A 78 5.010 0.171 -11.476 1.00 0.00 O ATOM 0 H TYR A 78 6.964 4.985 -4.878 1.00 0.00 H new ATOM 0 HA TYR A 78 4.961 3.544 -6.495 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.164 4.469 -7.701 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.898 3.073 -6.937 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.567 3.620 -8.599 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.178 1.361 -8.492 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.724 2.189 -10.408 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.340 -0.068 -10.303 1.00 0.00 H new ATOM 0 HH TYR A 78 5.682 -0.508 -11.695 1.00 0.00 H new ATOM 1149 N ILE A 79 5.127 1.846 -4.702 1.00 0.00 N ATOM 1150 CA ILE A 79 5.210 0.744 -3.751 1.00 0.00 C ATOM 1151 C ILE A 79 4.955 -0.594 -4.436 1.00 0.00 C ATOM 1152 O ILE A 79 4.155 -0.684 -5.367 1.00 0.00 O ATOM 1153 CB ILE A 79 4.203 0.919 -2.599 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.561 2.147 -1.761 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.170 -0.330 -1.731 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.363 2.811 -1.118 1.00 0.00 C ATOM 0 H ILE A 79 4.179 2.076 -5.000 1.00 0.00 H new ATOM 0 HA ILE A 79 6.221 0.753 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 79 3.210 1.070 -3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.264 1.853 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.072 2.872 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.454 -0.191 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.872 -1.186 -2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.161 -0.509 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.692 3.674 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.668 3.137 -1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.864 2.101 -0.458 1.00 0.00 H new ATOM 1168 N SER A 80 5.640 -1.632 -3.968 1.00 0.00 N ATOM 1169 CA SER A 80 5.490 -2.966 -4.537 1.00 0.00 C ATOM 1170 C SER A 80 5.579 -4.034 -3.450 1.00 0.00 C ATOM 1171 O SER A 80 6.389 -3.931 -2.529 1.00 0.00 O ATOM 1172 CB SER A 80 6.562 -3.215 -5.600 1.00 0.00 C ATOM 1173 OG SER A 80 7.811 -3.516 -5.004 1.00 0.00 O ATOM 0 H SER A 80 6.304 -1.575 -3.196 1.00 0.00 H new ATOM 0 HA SER A 80 4.506 -3.026 -5.002 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.255 -4.039 -6.244 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.661 -2.334 -6.234 1.00 0.00 H new ATOM 0 HG SER A 80 8.478 -3.673 -5.704 1.00 0.00 H new ATOM 1179 N TYR A 81 4.740 -5.057 -3.565 1.00 0.00 N ATOM 1180 CA TYR A 81 4.721 -6.143 -2.592 1.00 0.00 C ATOM 1181 C TYR A 81 4.388 -7.471 -3.264 1.00 0.00 C ATOM 1182 O TYR A 81 3.712 -7.508 -4.292 1.00 0.00 O ATOM 1183 CB TYR A 81 3.705 -5.848 -1.487 1.00 0.00 C ATOM 1184 CG TYR A 81 2.275 -6.124 -1.891 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.791 -7.425 -1.962 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.407 -5.085 -2.202 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.485 -7.682 -2.332 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.099 -5.333 -2.571 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.357 -6.633 -2.634 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.659 -6.884 -3.002 1.00 0.00 O ATOM 0 H TYR A 81 4.064 -5.157 -4.322 1.00 0.00 H new ATOM 0 HA TYR A 81 5.715 -6.219 -2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.949 -6.449 -0.611 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.795 -4.803 -1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.447 -8.249 -1.724 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.761 -4.066 -2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.126 -8.699 -2.384 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.563 -4.513 -2.809 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.118 -6.037 -3.180 1.00 0.00 H new ATOM 1200 N THR A 82 4.867 -8.562 -2.674 1.00 0.00 N ATOM 1201 CA THR A 82 4.621 -9.893 -3.214 1.00 0.00 C ATOM 1202 C THR A 82 4.349 -10.897 -2.099 1.00 0.00 C ATOM 1203 O THR A 82 5.211 -11.188 -1.269 1.00 0.00 O ATOM 1204 CB THR A 82 5.813 -10.387 -4.055 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.201 -9.379 -4.995 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.459 -11.669 -4.794 1.00 0.00 C ATOM 0 H THR A 82 5.428 -8.550 -1.822 1.00 0.00 H new ATOM 0 HA THR A 82 3.742 -9.817 -3.853 1.00 0.00 H new ATOM 0 HB THR A 82 6.645 -10.593 -3.381 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.960 -9.700 -5.525 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.316 -11.999 -5.381 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.193 -12.443 -4.074 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.614 -11.485 -5.457 1.00 0.00 H new ATOM 1214 N PRO A 83 3.123 -11.441 -2.078 1.00 0.00 N ATOM 1215 CA PRO A 83 2.710 -12.422 -1.070 1.00 0.00 C ATOM 1216 C PRO A 83 3.410 -13.765 -1.248 1.00 0.00 C ATOM 1217 O PRO A 83 4.020 -14.027 -2.285 1.00 0.00 O ATOM 1218 CB PRO A 83 1.205 -12.567 -1.312 1.00 0.00 C ATOM 1219 CG PRO A 83 1.014 -12.193 -2.741 1.00 0.00 C ATOM 1220 CD PRO A 83 2.046 -11.140 -3.036 1.00 0.00 C ATOM 0 HA PRO A 83 2.964 -12.101 -0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.870 -13.586 -1.121 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.633 -11.915 -0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.143 -13.058 -3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.007 -11.812 -2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.397 -11.198 -4.066 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.648 -10.136 -2.891 1.00 0.00 H new ATOM 1228 N LYS A 84 3.317 -14.615 -0.230 1.00 0.00 N ATOM 1229 CA LYS A 84 3.940 -15.932 -0.274 1.00 0.00 C ATOM 1230 C LYS A 84 2.884 -17.032 -0.322 1.00 0.00 C ATOM 1231 O LYS A 84 3.067 -18.052 -0.985 1.00 0.00 O ATOM 1232 CB LYS A 84 4.844 -16.133 0.945 1.00 0.00 C ATOM 1233 CG LYS A 84 4.121 -15.975 2.271 1.00 0.00 C ATOM 1234 CD LYS A 84 5.046 -15.436 3.350 1.00 0.00 C ATOM 1235 CE LYS A 84 6.150 -16.428 3.684 1.00 0.00 C ATOM 1236 NZ LYS A 84 7.359 -16.216 2.841 1.00 0.00 N ATOM 0 H LYS A 84 2.816 -14.415 0.635 1.00 0.00 H new ATOM 0 HA LYS A 84 4.543 -15.990 -1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.287 -17.128 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.664 -15.417 0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.274 -15.300 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.718 -16.938 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.488 -14.497 3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.469 -15.216 4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.419 -16.331 4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.781 -17.444 3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.205 -16.202 3.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.440 -16.988 2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.277 -15.309 2.339 1.00 0.00 H new ATOM 1250 N GLU A 85 1.778 -16.815 0.384 1.00 0.00 N ATOM 1251 CA GLU A 85 0.693 -17.789 0.420 1.00 0.00 C ATOM 1252 C GLU A 85 -0.660 -17.101 0.259 1.00 0.00 C ATOM 1253 O GLU A 85 -0.830 -15.926 0.584 1.00 0.00 O ATOM 1254 CB GLU A 85 0.726 -18.574 1.732 1.00 0.00 C ATOM 1255 CG GLU A 85 1.763 -19.684 1.752 1.00 0.00 C ATOM 1256 CD GLU A 85 1.367 -20.837 2.653 1.00 0.00 C ATOM 1257 OE1 GLU A 85 0.152 -21.078 2.808 1.00 0.00 O ATOM 1258 OE2 GLU A 85 2.272 -21.498 3.204 1.00 0.00 O ATOM 0 H GLU A 85 1.610 -15.975 0.938 1.00 0.00 H new ATOM 0 HA GLU A 85 0.831 -18.480 -0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.928 -17.885 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.259 -19.005 1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.912 -20.055 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.718 -19.278 2.086 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.647 -17.851 -0.254 1.00 0.00 N ATOM 1266 CA PRO A 86 -3.002 -17.335 -0.470 1.00 0.00 C ATOM 1267 C PRO A 86 -3.742 -17.084 0.840 1.00 0.00 C ATOM 1268 O PRO A 86 -3.350 -17.587 1.892 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.684 -18.452 -1.264 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.938 -19.688 -0.897 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.516 -19.259 -0.664 1.00 0.00 C ATOM 0 HA PRO A 86 -2.995 -16.373 -0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.739 -18.535 -1.004 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.634 -18.263 -2.336 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.359 -20.147 -0.002 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.996 -20.430 -1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.037 -19.860 0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.913 -19.360 -1.566 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.815 -16.302 0.767 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.593 -15.998 1.954 1.00 0.00 C ATOM 1281 C GLY A 87 -5.915 -14.522 2.074 1.00 0.00 C ATOM 1282 O GLY A 87 -6.161 -13.849 1.073 1.00 0.00 O ATOM 0 H GLY A 87 -5.159 -15.874 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.521 -16.569 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.042 -16.320 2.838 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.915 -14.016 3.304 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.209 -12.610 3.551 1.00 0.00 C ATOM 1288 C VAL A 88 -5.042 -11.918 4.247 1.00 0.00 C ATOM 1289 O VAL A 88 -4.429 -12.476 5.157 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.476 -12.445 4.412 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.290 -13.107 5.769 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.824 -10.973 4.571 1.00 0.00 C ATOM 0 H VAL A 88 -5.715 -14.559 4.144 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.375 -12.146 2.579 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.305 -12.938 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.195 -12.980 6.363 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.093 -14.170 5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.449 -12.646 6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.721 -10.875 5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.997 -10.454 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.003 -10.533 3.590 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.741 -10.699 3.812 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.645 -9.931 4.392 1.00 0.00 C ATOM 1304 C TYR A 89 -4.105 -8.526 4.770 1.00 0.00 C ATOM 1305 O TYR A 89 -5.230 -8.126 4.469 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.476 -9.849 3.409 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.781 -11.173 3.183 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.474 -12.268 2.684 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.430 -11.327 3.468 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.843 -13.479 2.477 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.210 -12.535 3.263 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.501 -13.608 2.768 1.00 0.00 C ATOM 1313 OH TYR A 89 0.131 -14.812 2.562 1.00 0.00 O ATOM 0 H TYR A 89 -5.240 -10.222 3.061 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.316 -10.442 5.297 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.841 -9.472 2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.750 -9.126 3.780 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.525 -12.171 2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.130 -10.489 3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.398 -14.321 2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.261 -12.638 3.489 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.488 -15.437 2.130 1.00 0.00 H new ATOM 1323 N THR A 90 -3.226 -7.781 5.433 1.00 0.00 N ATOM 1324 CA THR A 90 -3.540 -6.421 5.853 1.00 0.00 C ATOM 1325 C THR A 90 -2.420 -5.457 5.479 1.00 0.00 C ATOM 1326 O THR A 90 -1.327 -5.511 6.044 1.00 0.00 O ATOM 1327 CB THR A 90 -3.781 -6.345 7.373 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.630 -7.421 7.788 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.415 -5.016 7.754 1.00 0.00 C ATOM 0 H THR A 90 -2.291 -8.097 5.691 1.00 0.00 H new ATOM 0 HA THR A 90 -4.453 -6.132 5.332 1.00 0.00 H new ATOM 0 HB THR A 90 -2.818 -6.428 7.877 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.777 -7.367 8.755 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.576 -4.985 8.832 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.753 -4.200 7.462 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.371 -4.909 7.241 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.698 -4.576 4.524 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.714 -3.598 4.076 1.00 0.00 C ATOM 1339 C VAL A 91 -1.783 -2.326 4.913 1.00 0.00 C ATOM 1340 O VAL A 91 -2.765 -1.586 4.855 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.919 -3.236 2.593 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.881 -2.218 2.144 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.862 -4.485 1.727 1.00 0.00 C ATOM 0 H VAL A 91 -3.597 -4.519 4.045 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.733 -4.056 4.198 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.906 -2.788 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.041 -1.974 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.975 -1.314 2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.118 -2.636 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.009 -4.210 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.890 -4.964 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.646 -5.177 2.034 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.735 -2.077 5.689 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.676 -0.893 6.538 1.00 0.00 C ATOM 1355 C TRP A 92 0.097 0.229 5.854 1.00 0.00 C ATOM 1356 O TRP A 92 1.327 0.213 5.812 1.00 0.00 O ATOM 1357 CB TRP A 92 -0.024 -1.234 7.879 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.884 -2.093 8.756 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.673 -3.136 8.361 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -1.043 -1.982 10.174 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -2.312 -3.680 9.449 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.942 -2.990 10.573 1.00 0.00 C ATOM 1363 CE3 TRP A 92 -0.512 -1.130 11.147 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -2.321 -3.167 11.901 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 -0.889 -1.306 12.464 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -1.786 -2.318 12.832 1.00 0.00 C ATOM 0 H TRP A 92 0.086 -2.679 5.748 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.696 -0.551 6.714 1.00 0.00 H new ATOM 0 HB2 TRP A 92 0.921 -1.745 7.696 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.211 -0.309 8.406 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.779 -3.482 7.343 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.957 -4.470 9.424 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.181 -0.348 10.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.012 -3.946 12.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.486 -0.652 13.223 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.061 -2.430 13.870 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.632 1.204 5.319 1.00 0.00 N ATOM 1378 CA VAL A 93 -0.014 2.335 4.638 1.00 0.00 C ATOM 1379 C VAL A 93 -0.299 3.641 5.372 1.00 0.00 C ATOM 1380 O VAL A 93 -1.422 4.147 5.344 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.512 2.456 3.186 1.00 0.00 C ATOM 1382 CG1 VAL A 93 0.120 3.659 2.503 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.217 1.179 2.414 1.00 0.00 C ATOM 0 H VAL A 93 -1.651 1.233 5.344 1.00 0.00 H new ATOM 0 HA VAL A 93 1.061 2.152 4.632 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.592 2.603 3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.244 3.728 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.147 4.567 3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.204 3.546 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.576 1.282 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.858 0.999 2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.722 0.340 2.893 1.00 0.00 H new ATOM 1393 N CYS A 94 0.723 4.180 6.026 1.00 0.00 N ATOM 1394 CA CYS A 94 0.582 5.428 6.769 1.00 0.00 C ATOM 1395 C CYS A 94 1.726 6.384 6.448 1.00 0.00 C ATOM 1396 O CYS A 94 2.863 5.958 6.238 1.00 0.00 O ATOM 1397 CB CYS A 94 0.540 5.150 8.272 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.726 3.958 8.767 1.00 0.00 S ATOM 0 H CYS A 94 1.658 3.773 6.057 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.355 5.897 6.468 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.515 4.781 8.590 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.367 6.088 8.799 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.682 3.788 10.055 1.00 0.00 H new ATOM 1404 N ILE A 95 1.419 7.676 6.409 1.00 0.00 N ATOM 1405 CA ILE A 95 2.422 8.691 6.113 1.00 0.00 C ATOM 1406 C ILE A 95 2.691 9.569 7.330 1.00 0.00 C ATOM 1407 O ILE A 95 1.764 10.085 7.955 1.00 0.00 O ATOM 1408 CB ILE A 95 1.988 9.584 4.936 1.00 0.00 C ATOM 1409 CG1 ILE A 95 1.845 8.751 3.660 1.00 0.00 C ATOM 1410 CG2 ILE A 95 2.989 10.711 4.728 1.00 0.00 C ATOM 1411 CD1 ILE A 95 0.949 9.386 2.621 1.00 0.00 C ATOM 0 H ILE A 95 0.483 8.045 6.579 1.00 0.00 H new ATOM 0 HA ILE A 95 3.335 8.162 5.840 1.00 0.00 H new ATOM 0 HB ILE A 95 1.019 10.023 5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.833 8.591 3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.448 7.769 3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.668 11.333 3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.046 11.318 5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.971 10.290 4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.894 8.741 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.050 9.521 3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.356 10.355 2.333 1.00 0.00 H new ATOM 1423 N LYS A 96 3.967 9.737 7.661 1.00 0.00 N ATOM 1424 CA LYS A 96 4.361 10.555 8.801 1.00 0.00 C ATOM 1425 C LYS A 96 3.663 10.087 10.074 1.00 0.00 C ATOM 1426 O LYS A 96 3.067 10.886 10.795 1.00 0.00 O ATOM 1427 CB LYS A 96 4.031 12.026 8.538 1.00 0.00 C ATOM 1428 CG LYS A 96 5.117 12.766 7.777 1.00 0.00 C ATOM 1429 CD LYS A 96 4.720 14.206 7.496 1.00 0.00 C ATOM 1430 CE LYS A 96 5.898 15.019 6.982 1.00 0.00 C ATOM 1431 NZ LYS A 96 5.657 16.483 7.106 1.00 0.00 N ATOM 0 H LYS A 96 4.746 9.317 7.155 1.00 0.00 H new ATOM 0 HA LYS A 96 5.437 10.449 8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.099 12.086 7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.860 12.527 9.491 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.042 12.749 8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.317 12.253 6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.915 14.226 6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.332 14.662 8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.796 14.750 7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.084 14.769 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.483 17.003 6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.815 16.744 6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.505 16.726 8.106 1.00 0.00 H new ATOM 1445 N GLU A 97 3.743 8.788 10.344 1.00 0.00 N ATOM 1446 CA GLU A 97 3.118 8.215 11.531 1.00 0.00 C ATOM 1447 C GLU A 97 1.653 8.627 11.627 1.00 0.00 C ATOM 1448 O GLU A 97 1.176 9.014 12.694 1.00 0.00 O ATOM 1449 CB GLU A 97 3.868 8.654 12.790 1.00 0.00 C ATOM 1450 CG GLU A 97 3.893 7.597 13.882 1.00 0.00 C ATOM 1451 CD GLU A 97 4.689 8.034 15.097 1.00 0.00 C ATOM 1452 OE1 GLU A 97 5.611 8.860 14.938 1.00 0.00 O ATOM 1453 OE2 GLU A 97 4.389 7.548 16.208 1.00 0.00 O ATOM 0 H GLU A 97 4.234 8.113 9.758 1.00 0.00 H new ATOM 0 HA GLU A 97 3.166 7.129 11.448 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.893 8.912 12.521 1.00 0.00 H new ATOM 0 HB3 GLU A 97 3.404 9.559 13.182 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.871 7.368 14.185 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.321 6.677 13.483 1.00 0.00 H new ATOM 1460 N GLN A 98 0.945 8.542 10.506 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.466 8.908 10.464 1.00 0.00 C ATOM 1462 C GLN A 98 -1.204 8.109 9.395 1.00 0.00 C ATOM 1463 O GLN A 98 -0.814 8.107 8.227 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.618 10.406 10.193 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.035 11.285 11.288 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.013 12.752 10.910 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.053 13.410 10.867 1.00 0.00 O ATOM 1468 NE2 GLN A 98 1.176 13.275 10.633 1.00 0.00 N ATOM 0 H GLN A 98 1.325 8.223 9.615 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.905 8.675 11.434 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.132 10.647 9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.676 10.640 10.076 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.619 11.158 12.200 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.980 10.956 11.511 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.013 12.693 10.681 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.252 14.258 10.372 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.272 7.431 9.802 1.00 0.00 N ATOM 1478 CA HIS A 99 -3.066 6.627 8.879 1.00 0.00 C ATOM 1479 C HIS A 99 -3.713 7.506 7.812 1.00 0.00 C ATOM 1480 O HIS A 99 -4.393 8.482 8.127 1.00 0.00 O ATOM 1481 CB HIS A 99 -4.142 5.852 9.639 1.00 0.00 C ATOM 1482 CG HIS A 99 -4.991 6.715 10.522 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -6.305 7.019 10.236 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -4.707 7.337 11.689 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -6.792 7.794 11.190 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -5.842 8.001 12.084 1.00 0.00 N ATOM 0 H HIS A 99 -2.608 7.422 10.765 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.399 5.919 8.387 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.783 5.338 8.922 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.664 5.084 10.247 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.763 7.315 12.213 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.796 8.190 11.231 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -5.936 8.563 12.930 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.496 7.152 6.549 1.00 0.00 N ATOM 1496 CA VAL A 100 -4.058 7.907 5.436 1.00 0.00 C ATOM 1497 C VAL A 100 -5.490 7.474 5.146 1.00 0.00 C ATOM 1498 O VAL A 100 -6.007 6.547 5.769 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.213 7.738 4.160 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.777 8.172 4.408 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.267 6.297 3.673 1.00 0.00 C ATOM 0 H VAL A 100 -2.935 6.347 6.271 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.052 8.957 5.730 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.630 8.377 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.196 8.045 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.760 9.220 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.344 7.562 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.664 6.195 2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.876 5.637 4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.299 6.026 3.452 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.126 8.152 4.196 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.500 7.837 3.823 1.00 0.00 C ATOM 1513 C GLN A 101 -7.586 6.461 3.171 1.00 0.00 C ATOM 1514 O GLN A 101 -6.661 6.031 2.482 1.00 0.00 O ATOM 1515 CB GLN A 101 -8.050 8.901 2.871 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.506 8.684 2.491 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.674 7.663 1.383 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -10.355 6.652 1.553 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -9.052 7.924 0.239 1.00 0.00 N ATOM 0 H GLN A 101 -5.712 8.922 3.671 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.102 7.826 4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.947 9.881 3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.445 8.913 1.965 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -10.062 8.356 3.369 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.940 9.632 2.175 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.498 8.775 0.142 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -9.129 7.274 -0.543 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.702 5.774 3.392 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.887 4.454 2.819 1.00 0.00 C ATOM 1530 C GLY A 102 -7.768 3.500 3.187 1.00 0.00 C ATOM 1531 O GLY A 102 -7.241 2.791 2.331 1.00 0.00 O ATOM 0 H GLY A 102 -9.482 6.108 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.837 4.043 3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.947 4.538 1.734 1.00 0.00 H new ATOM 1535 N SER A 103 -7.403 3.484 4.465 1.00 0.00 N ATOM 1536 CA SER A 103 -6.335 2.614 4.944 1.00 0.00 C ATOM 1537 C SER A 103 -6.393 2.468 6.462 1.00 0.00 C ATOM 1538 O SER A 103 -6.842 3.361 7.180 1.00 0.00 O ATOM 1539 CB SER A 103 -4.972 3.167 4.525 1.00 0.00 C ATOM 1540 OG SER A 103 -4.676 2.829 3.181 1.00 0.00 O ATOM 0 H SER A 103 -7.831 4.063 5.187 1.00 0.00 H new ATOM 0 HA SER A 103 -6.473 1.630 4.496 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.965 4.251 4.641 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.198 2.771 5.182 1.00 0.00 H new ATOM 0 HG SER A 103 -5.511 2.728 2.678 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.927 1.314 6.963 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.391 0.243 6.117 1.00 0.00 C ATOM 1548 C PRO A 104 -6.474 -0.440 5.290 1.00 0.00 C ATOM 1549 O PRO A 104 -7.648 -0.075 5.363 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.790 -0.738 7.126 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.549 -0.499 8.385 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.889 0.966 8.393 1.00 0.00 C ATOM 0 HA PRO A 104 -4.673 0.620 5.388 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.898 -1.769 6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.724 -0.558 7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.452 -1.109 8.418 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.952 -0.766 9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.847 1.154 8.878 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.140 1.550 8.929 1.00 0.00 H new ATOM 1560 N PHE A 105 -6.073 -1.432 4.502 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.010 -2.166 3.660 1.00 0.00 C ATOM 1562 C PHE A 105 -6.635 -3.643 3.588 1.00 0.00 C ATOM 1563 O PHE A 105 -5.455 -3.997 3.582 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.042 -1.567 2.253 1.00 0.00 C ATOM 1565 CG PHE A 105 -5.733 -1.678 1.524 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.381 -2.853 0.880 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -4.854 -0.608 1.485 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.178 -2.959 0.208 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -3.649 -0.707 0.815 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.310 -1.885 0.177 1.00 0.00 C ATOM 0 H PHE A 105 -5.105 -1.746 4.429 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.001 -2.082 4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -7.816 -2.067 1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.323 -0.516 2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.055 -3.697 0.903 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.113 0.314 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.917 -3.880 -0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -2.973 0.135 0.790 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.368 -1.966 -0.345 1.00 0.00 H new ATOM 1580 N THR A 106 -7.647 -4.503 3.533 1.00 0.00 N ATOM 1581 CA THR A 106 -7.425 -5.942 3.463 1.00 0.00 C ATOM 1582 C THR A 106 -7.126 -6.383 2.034 1.00 0.00 C ATOM 1583 O THR A 106 -7.495 -5.706 1.075 1.00 0.00 O ATOM 1584 CB THR A 106 -8.644 -6.725 3.985 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.050 -6.209 5.258 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.323 -8.206 4.112 1.00 0.00 C ATOM 0 H THR A 106 -8.629 -4.228 3.536 1.00 0.00 H new ATOM 0 HA THR A 106 -6.565 -6.160 4.096 1.00 0.00 H new ATOM 0 HB THR A 106 -9.457 -6.606 3.269 1.00 0.00 H new ATOM 0 HG1 THR A 106 -9.827 -6.711 5.582 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.199 -8.738 4.482 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.043 -8.603 3.136 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.496 -8.341 4.809 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.456 -7.523 1.900 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.109 -8.056 0.588 1.00 0.00 C ATOM 1596 C VAL A 107 -6.345 -9.561 0.526 1.00 0.00 C ATOM 1597 O VAL A 107 -5.918 -10.305 1.409 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.639 -7.763 0.234 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.256 -8.449 -1.068 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.401 -6.263 0.146 1.00 0.00 C ATOM 0 H VAL A 107 -6.143 -8.095 2.684 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.755 -7.560 -0.136 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.006 -8.162 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.214 -8.230 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.386 -9.526 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.893 -8.083 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.357 -6.074 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.042 -5.837 -0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.633 -5.801 1.106 1.00 0.00 H new ATOM 1610 N THR A 108 -7.028 -10.005 -0.525 1.00 0.00 N ATOM 1611 CA THR A 108 -7.322 -11.421 -0.703 1.00 0.00 C ATOM 1612 C THR A 108 -6.391 -12.050 -1.733 1.00 0.00 C ATOM 1613 O THR A 108 -6.535 -11.824 -2.935 1.00 0.00 O ATOM 1614 CB THR A 108 -8.781 -11.641 -1.144 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.676 -11.156 -0.136 1.00 0.00 O ATOM 1616 CG2 THR A 108 -9.052 -13.115 -1.403 1.00 0.00 C ATOM 0 H THR A 108 -7.388 -9.403 -1.266 1.00 0.00 H new ATOM 0 HA THR A 108 -7.167 -11.900 0.264 1.00 0.00 H new ATOM 0 HB THR A 108 -8.944 -11.090 -2.070 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.602 -11.298 -0.425 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.089 -13.245 -1.713 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.390 -13.474 -2.191 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.872 -13.684 -0.491 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.437 -12.843 -1.256 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.483 -13.507 -2.136 1.00 0.00 C ATOM 1626 C VAL A 109 -5.072 -14.787 -2.719 1.00 0.00 C ATOM 1627 O VAL A 109 -5.740 -15.549 -2.020 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.177 -13.847 -1.395 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.199 -14.545 -2.327 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.557 -12.589 -0.804 1.00 0.00 C ATOM 0 H VAL A 109 -5.304 -13.041 -0.264 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.262 -12.811 -2.945 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.411 -14.529 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.282 -14.777 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.645 -15.468 -2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.968 -13.891 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.635 -12.848 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.336 -11.882 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.255 -12.135 -0.101 1.00 0.00 H new ATOM 1640 N ARG A 110 -4.819 -15.017 -4.003 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.325 -16.205 -4.680 1.00 0.00 C ATOM 1642 C ARG A 110 -4.187 -17.164 -5.018 1.00 0.00 C ATOM 1643 O ARG A 110 -3.025 -16.896 -4.714 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.070 -15.812 -5.957 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.214 -14.840 -5.719 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.524 -15.571 -5.470 1.00 0.00 C ATOM 1647 NE ARG A 110 -9.256 -15.821 -6.709 1.00 0.00 N ATOM 1648 CZ ARG A 110 -10.187 -16.760 -6.836 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -10.498 -17.533 -5.804 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -10.808 -16.927 -7.996 1.00 0.00 N ATOM 0 H ARG A 110 -4.267 -14.397 -4.595 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.016 -16.710 -4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.364 -15.365 -6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.462 -16.712 -6.431 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.982 -14.206 -4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.321 -14.184 -6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.321 -16.519 -4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.145 -14.982 -4.795 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.040 -15.243 -7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.022 -17.407 -4.911 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.213 -18.253 -5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.571 -16.334 -8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.523 -17.648 -8.093 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.531 -18.283 -5.647 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.539 -19.283 -6.024 1.00 0.00 C ATOM 1666 C ARG A 111 -2.993 -19.007 -7.422 1.00 0.00 C ATOM 1667 O ARG A 111 -3.747 -18.700 -8.346 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.150 -20.684 -5.971 1.00 0.00 C ATOM 1669 CG ARG A 111 -5.132 -20.964 -7.098 1.00 0.00 C ATOM 1670 CD ARG A 111 -5.954 -22.213 -6.823 1.00 0.00 C ATOM 1671 NE ARG A 111 -5.195 -23.434 -7.076 1.00 0.00 N ATOM 1672 CZ ARG A 111 -4.489 -24.066 -6.145 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -4.445 -23.594 -4.907 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -3.824 -25.173 -6.452 1.00 0.00 N ATOM 0 H ARG A 111 -5.489 -18.520 -5.906 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.715 -19.227 -5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.349 -21.422 -6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.660 -20.813 -5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -5.797 -20.110 -7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.588 -21.084 -8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.291 -22.204 -5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.846 -22.205 -7.449 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.207 -23.823 -8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -4.954 -22.743 -4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.902 -24.082 -4.194 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.855 -25.539 -7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.282 -25.657 -5.736 1.00 0.00 H new ATOM 1688 N LYS A 112 -1.677 -19.118 -7.571 1.00 0.00 N ATOM 1689 CA LYS A 112 -1.029 -18.882 -8.855 1.00 0.00 C ATOM 1690 C LYS A 112 -1.830 -19.508 -9.992 1.00 0.00 C ATOM 1691 O LYS A 112 -2.644 -20.405 -9.771 1.00 0.00 O ATOM 1692 CB LYS A 112 0.392 -19.450 -8.845 1.00 0.00 C ATOM 1693 CG LYS A 112 0.445 -20.958 -9.022 1.00 0.00 C ATOM 1694 CD LYS A 112 0.199 -21.682 -7.709 1.00 0.00 C ATOM 1695 CE LYS A 112 1.476 -21.803 -6.891 1.00 0.00 C ATOM 1696 NZ LYS A 112 1.295 -22.690 -5.708 1.00 0.00 N ATOM 0 H LYS A 112 -1.038 -19.370 -6.817 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.982 -17.805 -9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.968 -18.979 -9.641 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.873 -19.186 -7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.302 -21.266 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.418 -21.245 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.554 -21.146 -7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -0.201 -22.676 -7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.275 -22.196 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.789 -20.813 -6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.187 -22.747 -5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.550 -22.302 -5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.021 -23.641 -6.026 1.00 0.00 H new ATOM 1710 N HIS A 113 -1.593 -19.030 -11.210 1.00 0.00 N ATOM 1711 CA HIS A 113 -2.292 -19.545 -12.382 1.00 0.00 C ATOM 1712 C HIS A 113 -2.039 -21.040 -12.552 1.00 0.00 C ATOM 1713 O HIS A 113 -0.891 -21.485 -12.584 1.00 0.00 O ATOM 1714 CB HIS A 113 -1.846 -18.794 -13.638 1.00 0.00 C ATOM 1715 CG HIS A 113 -0.556 -19.296 -14.210 1.00 0.00 C ATOM 1716 ND1 HIS A 113 -0.492 -20.288 -15.166 1.00 0.00 N ATOM 1717 CD2 HIS A 113 0.724 -18.937 -13.956 1.00 0.00 C ATOM 1718 CE1 HIS A 113 0.772 -20.518 -15.474 1.00 0.00 C ATOM 1719 NE2 HIS A 113 1.530 -19.710 -14.755 1.00 0.00 N ATOM 0 H HIS A 113 -0.923 -18.288 -11.411 1.00 0.00 H new ATOM 0 HA HIS A 113 -3.361 -19.390 -12.235 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -2.626 -18.875 -14.396 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -1.741 -17.735 -13.400 1.00 0.00 H new ATOM 0 HD2 HIS A 113 1.051 -18.183 -13.255 1.00 0.00 H new ATOM 0 HE1 HIS A 113 1.125 -21.243 -16.192 1.00 0.00 H new ATOM 0 HE2 HIS A 113 2.549 -19.667 -14.788 1.00 0.00 H new TER 1728 HIS A 113