USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 532 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 NoAdj-H: A 33 HIS HD1 : A 33 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 38 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.129) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 27 SER OG : rot -104:sc= 0.378 USER MOD Set 2.2: A 51 HIS : no HE2:sc= -1.33! C(o=-0.95!,f=-9!) USER MOD Set 3.1: A 3 SER OG : rot -106:sc= 0 USER MOD Set 3.2: A 5 SER OG : rot 180:sc=0.000451 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.072 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 175:sc= 0.0744 USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 0.00586 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= -0.0257 (180deg=-0.793) USER MOD Single : A 17 LYS NZ :NH3+ -130:sc= -1.37 (180deg=-3.67!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0976) USER MOD Single : A 43 SER OG : rot -49:sc= 0.701 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 57 LYS NZ :NH3+ 143:sc= 0.226 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -98:sc= 2.02 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.300 -14.704 -18.012 1.00 0.00 N ATOM 2 CA GLY A 1 -32.179 -14.252 -16.639 1.00 0.00 C ATOM 3 C GLY A 1 -31.679 -12.824 -16.541 1.00 0.00 C ATOM 4 O GLY A 1 -31.215 -12.252 -17.527 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.306 -14.789 -18.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.842 -14.018 -18.645 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.839 -15.630 -18.114 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.149 -14.329 -16.148 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.496 -14.910 -16.102 1.00 0.00 H new ATOM 8 N SER A 2 -31.776 -12.245 -15.348 1.00 0.00 N ATOM 9 CA SER A 2 -31.336 -10.873 -15.126 1.00 0.00 C ATOM 10 C SER A 2 -31.044 -10.628 -13.649 1.00 0.00 C ATOM 11 O SER A 2 -31.675 -11.221 -12.774 1.00 0.00 O ATOM 12 CB SER A 2 -32.398 -9.888 -15.618 1.00 0.00 C ATOM 13 OG SER A 2 -31.867 -8.579 -15.730 1.00 0.00 O ATOM 0 H SER A 2 -32.155 -12.705 -14.521 1.00 0.00 H new ATOM 0 HA SER A 2 -30.417 -10.717 -15.691 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.779 -10.213 -16.586 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.242 -9.884 -14.928 1.00 0.00 H new ATOM 0 HG SER A 2 -32.565 -7.969 -16.048 1.00 0.00 H new ATOM 19 N SER A 3 -30.084 -9.749 -13.379 1.00 0.00 N ATOM 20 CA SER A 3 -29.706 -9.427 -12.008 1.00 0.00 C ATOM 21 C SER A 3 -29.218 -7.985 -11.904 1.00 0.00 C ATOM 22 O SER A 3 -28.395 -7.537 -12.700 1.00 0.00 O ATOM 23 CB SER A 3 -28.615 -10.383 -11.521 1.00 0.00 C ATOM 24 OG SER A 3 -28.459 -10.304 -10.114 1.00 0.00 O ATOM 0 H SER A 3 -29.554 -9.247 -14.092 1.00 0.00 H new ATOM 0 HA SER A 3 -30.587 -9.540 -11.377 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.868 -11.404 -11.805 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.671 -10.141 -12.009 1.00 0.00 H new ATOM 0 HG SER A 3 -27.628 -9.829 -9.903 1.00 0.00 H new ATOM 30 N GLY A 4 -29.735 -7.263 -10.914 1.00 0.00 N ATOM 31 CA GLY A 4 -29.342 -5.879 -10.722 1.00 0.00 C ATOM 32 C GLY A 4 -28.304 -5.718 -9.628 1.00 0.00 C ATOM 33 O GLY A 4 -28.486 -4.926 -8.703 1.00 0.00 O ATOM 0 H GLY A 4 -30.419 -7.612 -10.242 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.944 -5.484 -11.657 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.222 -5.286 -10.474 1.00 0.00 H new ATOM 37 N SER A 5 -27.215 -6.471 -9.732 1.00 0.00 N ATOM 38 CA SER A 5 -26.147 -6.412 -8.741 1.00 0.00 C ATOM 39 C SER A 5 -25.444 -5.058 -8.781 1.00 0.00 C ATOM 40 O SER A 5 -24.382 -4.915 -9.387 1.00 0.00 O ATOM 41 CB SER A 5 -25.134 -7.533 -8.984 1.00 0.00 C ATOM 42 OG SER A 5 -25.739 -8.806 -8.844 1.00 0.00 O ATOM 0 H SER A 5 -27.048 -7.130 -10.493 1.00 0.00 H new ATOM 0 HA SER A 5 -26.592 -6.542 -7.755 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.712 -7.435 -9.984 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.308 -7.440 -8.279 1.00 0.00 H new ATOM 0 HG SER A 5 -25.071 -9.505 -9.006 1.00 0.00 H new ATOM 48 N SER A 6 -26.045 -4.067 -8.130 1.00 0.00 N ATOM 49 CA SER A 6 -25.479 -2.724 -8.093 1.00 0.00 C ATOM 50 C SER A 6 -23.984 -2.771 -7.792 1.00 0.00 C ATOM 51 O SER A 6 -23.575 -2.989 -6.653 1.00 0.00 O ATOM 52 CB SER A 6 -26.196 -1.875 -7.041 1.00 0.00 C ATOM 53 OG SER A 6 -27.521 -1.575 -7.443 1.00 0.00 O ATOM 0 H SER A 6 -26.923 -4.169 -7.621 1.00 0.00 H new ATOM 0 HA SER A 6 -25.620 -2.271 -9.074 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.213 -2.407 -6.090 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.644 -0.949 -6.878 1.00 0.00 H new ATOM 0 HG SER A 6 -27.958 -1.033 -6.753 1.00 0.00 H new ATOM 59 N GLY A 7 -23.173 -2.566 -8.825 1.00 0.00 N ATOM 60 CA GLY A 7 -21.732 -2.589 -8.653 1.00 0.00 C ATOM 61 C GLY A 7 -21.065 -1.331 -9.172 1.00 0.00 C ATOM 62 O GLY A 7 -20.883 -1.169 -10.378 1.00 0.00 O ATOM 0 H GLY A 7 -23.488 -2.384 -9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.498 -2.711 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.321 -3.455 -9.172 1.00 0.00 H new ATOM 66 N MET A 8 -20.701 -0.436 -8.259 1.00 0.00 N ATOM 67 CA MET A 8 -20.052 0.815 -8.632 1.00 0.00 C ATOM 68 C MET A 8 -18.851 1.093 -7.733 1.00 0.00 C ATOM 69 O MET A 8 -18.991 1.670 -6.655 1.00 0.00 O ATOM 70 CB MET A 8 -21.045 1.975 -8.548 1.00 0.00 C ATOM 71 CG MET A 8 -22.202 1.856 -9.528 1.00 0.00 C ATOM 72 SD MET A 8 -23.455 0.680 -8.983 1.00 0.00 S ATOM 73 CE MET A 8 -24.724 0.940 -10.220 1.00 0.00 C ATOM 0 H MET A 8 -20.845 -0.554 -7.256 1.00 0.00 H new ATOM 0 HA MET A 8 -19.701 0.721 -9.660 1.00 0.00 H new ATOM 0 HB2 MET A 8 -21.442 2.030 -7.534 1.00 0.00 H new ATOM 0 HB3 MET A 8 -20.516 2.910 -8.734 1.00 0.00 H new ATOM 0 HG2 MET A 8 -22.662 2.835 -9.662 1.00 0.00 H new ATOM 0 HG3 MET A 8 -21.819 1.548 -10.501 1.00 0.00 H new ATOM 0 HE1 MET A 8 -25.569 0.282 -10.018 1.00 0.00 H new ATOM 0 HE2 MET A 8 -25.057 1.978 -10.188 1.00 0.00 H new ATOM 0 HE3 MET A 8 -24.320 0.719 -11.208 1.00 0.00 H new ATOM 83 N ALA A 9 -17.671 0.678 -8.183 1.00 0.00 N ATOM 84 CA ALA A 9 -16.447 0.884 -7.420 1.00 0.00 C ATOM 85 C ALA A 9 -15.260 1.134 -8.344 1.00 0.00 C ATOM 86 O ALA A 9 -15.405 1.150 -9.566 1.00 0.00 O ATOM 87 CB ALA A 9 -16.176 -0.314 -6.523 1.00 0.00 C ATOM 0 H ALA A 9 -17.538 0.197 -9.073 1.00 0.00 H new ATOM 0 HA ALA A 9 -16.582 1.768 -6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.258 -0.146 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.008 -0.446 -5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.067 -1.209 -7.135 1.00 0.00 H new ATOM 93 N SER A 10 -14.086 1.330 -7.752 1.00 0.00 N ATOM 94 CA SER A 10 -12.874 1.584 -8.523 1.00 0.00 C ATOM 95 C SER A 10 -12.235 0.275 -8.977 1.00 0.00 C ATOM 96 O SER A 10 -12.580 -0.801 -8.489 1.00 0.00 O ATOM 97 CB SER A 10 -11.875 2.390 -7.691 1.00 0.00 C ATOM 98 OG SER A 10 -12.193 3.771 -7.709 1.00 0.00 O ATOM 0 H SER A 10 -13.948 1.318 -6.741 1.00 0.00 H new ATOM 0 HA SER A 10 -13.149 2.160 -9.407 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.876 2.027 -6.663 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.868 2.240 -8.081 1.00 0.00 H new ATOM 0 HG SER A 10 -11.586 4.254 -7.111 1.00 0.00 H new ATOM 104 N LYS A 11 -11.301 0.376 -9.917 1.00 0.00 N ATOM 105 CA LYS A 11 -10.611 -0.798 -10.439 1.00 0.00 C ATOM 106 C LYS A 11 -9.266 -0.992 -9.745 1.00 0.00 C ATOM 107 O LYS A 11 -8.801 -0.117 -9.014 1.00 0.00 O ATOM 108 CB LYS A 11 -10.404 -0.664 -11.949 1.00 0.00 C ATOM 109 CG LYS A 11 -11.619 -1.063 -12.768 1.00 0.00 C ATOM 110 CD LYS A 11 -11.696 -0.281 -14.069 1.00 0.00 C ATOM 111 CE LYS A 11 -10.908 -0.964 -15.176 1.00 0.00 C ATOM 112 NZ LYS A 11 -11.722 -1.991 -15.884 1.00 0.00 N ATOM 0 H LYS A 11 -11.004 1.259 -10.333 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.232 -1.672 -10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.143 0.369 -12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.557 -1.282 -12.247 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.578 -2.130 -12.986 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.524 -0.892 -12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.738 -0.179 -14.372 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.309 0.726 -13.913 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.564 -0.217 -15.891 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.020 -1.433 -14.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.094 -2.720 -16.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.385 -2.430 -15.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.256 -1.540 -16.654 1.00 0.00 H new ATOM 126 N CYS A 12 -8.644 -2.142 -9.981 1.00 0.00 N ATOM 127 CA CYS A 12 -7.352 -2.450 -9.380 1.00 0.00 C ATOM 128 C CYS A 12 -6.237 -2.374 -10.420 1.00 0.00 C ATOM 129 O CYS A 12 -6.290 -3.012 -11.471 1.00 0.00 O ATOM 130 CB CYS A 12 -7.380 -3.843 -8.747 1.00 0.00 C ATOM 131 SG CYS A 12 -5.798 -4.351 -7.999 1.00 0.00 S ATOM 0 H CYS A 12 -9.014 -2.876 -10.584 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.153 -1.710 -8.605 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.156 -3.867 -7.982 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.660 -4.571 -9.508 1.00 0.00 H new ATOM 136 N PRO A 13 -5.202 -1.576 -10.120 1.00 0.00 N ATOM 137 CA PRO A 13 -4.055 -1.398 -11.015 1.00 0.00 C ATOM 138 C PRO A 13 -3.189 -2.650 -11.103 1.00 0.00 C ATOM 139 O PRO A 13 -2.118 -2.636 -11.711 1.00 0.00 O ATOM 140 CB PRO A 13 -3.273 -0.252 -10.365 1.00 0.00 C ATOM 141 CG PRO A 13 -3.647 -0.308 -8.924 1.00 0.00 C ATOM 142 CD PRO A 13 -5.072 -0.785 -8.884 1.00 0.00 C ATOM 0 HA PRO A 13 -4.365 -1.194 -12.040 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.199 -0.379 -10.500 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.539 0.709 -10.806 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.993 -0.987 -8.377 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.550 0.672 -8.457 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.269 -1.389 -7.998 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.774 0.048 -8.864 1.00 0.00 H new ATOM 150 N LYS A 14 -3.659 -3.733 -10.494 1.00 0.00 N ATOM 151 CA LYS A 14 -2.929 -4.995 -10.505 1.00 0.00 C ATOM 152 C LYS A 14 -3.628 -6.020 -11.393 1.00 0.00 C ATOM 153 O LYS A 14 -3.038 -6.540 -12.340 1.00 0.00 O ATOM 154 CB LYS A 14 -2.797 -5.544 -9.082 1.00 0.00 C ATOM 155 CG LYS A 14 -1.729 -6.615 -8.940 1.00 0.00 C ATOM 156 CD LYS A 14 -0.362 -6.008 -8.676 1.00 0.00 C ATOM 157 CE LYS A 14 0.746 -7.038 -8.834 1.00 0.00 C ATOM 158 NZ LYS A 14 1.095 -7.261 -10.264 1.00 0.00 N ATOM 0 H LYS A 14 -4.543 -3.762 -9.986 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.934 -4.807 -10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.568 -4.722 -8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.757 -5.956 -8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.993 -7.287 -8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.692 -7.216 -9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.191 -5.180 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.335 -5.595 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.631 -6.706 -8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.433 -7.981 -8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.055 -7.654 -10.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.418 -7.928 -10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.056 -6.357 -10.776 1.00 0.00 H new ATOM 172 N CYS A 15 -4.888 -6.304 -11.083 1.00 0.00 N ATOM 173 CA CYS A 15 -5.668 -7.265 -11.853 1.00 0.00 C ATOM 174 C CYS A 15 -6.824 -6.575 -12.572 1.00 0.00 C ATOM 175 O CYS A 15 -7.797 -7.219 -12.964 1.00 0.00 O ATOM 176 CB CYS A 15 -6.207 -8.366 -10.939 1.00 0.00 C ATOM 177 SG CYS A 15 -7.222 -7.754 -9.555 1.00 0.00 S ATOM 0 H CYS A 15 -5.391 -5.882 -10.303 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.012 -7.712 -12.600 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.803 -9.058 -11.534 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.367 -8.933 -10.537 1.00 0.00 H new ATOM 182 N ASP A 16 -6.709 -5.263 -12.742 1.00 0.00 N ATOM 183 CA ASP A 16 -7.743 -4.486 -13.415 1.00 0.00 C ATOM 184 C ASP A 16 -9.131 -5.031 -13.091 1.00 0.00 C ATOM 185 O ASP A 16 -9.934 -5.289 -13.988 1.00 0.00 O ATOM 186 CB ASP A 16 -7.517 -4.498 -14.928 1.00 0.00 C ATOM 187 CG ASP A 16 -8.045 -3.246 -15.602 1.00 0.00 C ATOM 188 OD1 ASP A 16 -7.659 -2.137 -15.178 1.00 0.00 O ATOM 189 OD2 ASP A 16 -8.844 -3.377 -16.553 1.00 0.00 O ATOM 0 H ASP A 16 -5.910 -4.715 -12.423 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.683 -3.459 -13.055 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.451 -4.595 -15.132 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.005 -5.372 -15.359 1.00 0.00 H new ATOM 194 N LYS A 17 -9.406 -5.207 -11.803 1.00 0.00 N ATOM 195 CA LYS A 17 -10.696 -5.722 -11.359 1.00 0.00 C ATOM 196 C LYS A 17 -11.434 -4.686 -10.517 1.00 0.00 C ATOM 197 O LYS A 17 -10.820 -3.791 -9.935 1.00 0.00 O ATOM 198 CB LYS A 17 -10.504 -7.008 -10.553 1.00 0.00 C ATOM 199 CG LYS A 17 -10.309 -8.243 -11.415 1.00 0.00 C ATOM 200 CD LYS A 17 -10.613 -9.516 -10.643 1.00 0.00 C ATOM 201 CE LYS A 17 -12.107 -9.689 -10.419 1.00 0.00 C ATOM 202 NZ LYS A 17 -12.566 -9.002 -9.181 1.00 0.00 N ATOM 0 H LYS A 17 -8.752 -5.000 -11.048 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.296 -5.941 -12.242 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.640 -6.891 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.372 -7.157 -9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.957 -8.183 -12.290 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.283 -8.274 -11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.224 -10.375 -11.189 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.100 -9.491 -9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.651 -9.293 -11.277 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.344 -10.751 -10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.131 -9.661 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.741 -8.686 -8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.148 -8.179 -9.436 1.00 0.00 H new ATOM 216 N THR A 18 -12.756 -4.815 -10.454 1.00 0.00 N ATOM 217 CA THR A 18 -13.578 -3.891 -9.683 1.00 0.00 C ATOM 218 C THR A 18 -13.459 -4.166 -8.188 1.00 0.00 C ATOM 219 O THR A 18 -14.210 -4.968 -7.632 1.00 0.00 O ATOM 220 CB THR A 18 -15.060 -3.980 -10.093 1.00 0.00 C ATOM 221 OG1 THR A 18 -15.190 -3.781 -11.505 1.00 0.00 O ATOM 222 CG2 THR A 18 -15.891 -2.945 -9.351 1.00 0.00 C ATOM 0 H THR A 18 -13.280 -5.551 -10.928 1.00 0.00 H new ATOM 0 HA THR A 18 -13.210 -2.888 -9.896 1.00 0.00 H new ATOM 0 HB THR A 18 -15.427 -4.972 -9.831 1.00 0.00 H new ATOM 0 HG1 THR A 18 -16.135 -3.841 -11.758 1.00 0.00 H new ATOM 0 HG21 THR A 18 -16.934 -3.028 -9.658 1.00 0.00 H new ATOM 0 HG22 THR A 18 -15.814 -3.118 -8.278 1.00 0.00 H new ATOM 0 HG23 THR A 18 -15.522 -1.946 -9.585 1.00 0.00 H new ATOM 230 N VAL A 19 -12.511 -3.495 -7.541 1.00 0.00 N ATOM 231 CA VAL A 19 -12.295 -3.666 -6.109 1.00 0.00 C ATOM 232 C VAL A 19 -13.537 -3.275 -5.316 1.00 0.00 C ATOM 233 O VAL A 19 -14.188 -2.274 -5.615 1.00 0.00 O ATOM 234 CB VAL A 19 -11.101 -2.827 -5.618 1.00 0.00 C ATOM 235 CG1 VAL A 19 -10.923 -2.979 -4.115 1.00 0.00 C ATOM 236 CG2 VAL A 19 -9.832 -3.224 -6.356 1.00 0.00 C ATOM 0 H VAL A 19 -11.880 -2.828 -7.986 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.080 -4.722 -5.945 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.305 -1.778 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.074 -2.379 -3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.825 -2.641 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.741 -4.026 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.998 -2.621 -5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.621 -4.278 -6.176 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.966 -3.058 -7.425 1.00 0.00 H new ATOM 246 N TYR A 20 -13.860 -4.072 -4.303 1.00 0.00 N ATOM 247 CA TYR A 20 -15.025 -3.811 -3.467 1.00 0.00 C ATOM 248 C TYR A 20 -14.669 -2.880 -2.311 1.00 0.00 C ATOM 249 O TYR A 20 -13.581 -2.967 -1.742 1.00 0.00 O ATOM 250 CB TYR A 20 -15.594 -5.123 -2.924 1.00 0.00 C ATOM 251 CG TYR A 20 -16.620 -5.760 -3.833 1.00 0.00 C ATOM 252 CD1 TYR A 20 -16.320 -6.048 -5.158 1.00 0.00 C ATOM 253 CD2 TYR A 20 -17.890 -6.075 -3.365 1.00 0.00 C ATOM 254 CE1 TYR A 20 -17.255 -6.630 -5.992 1.00 0.00 C ATOM 255 CE2 TYR A 20 -18.831 -6.659 -4.192 1.00 0.00 C ATOM 256 CZ TYR A 20 -18.509 -6.934 -5.505 1.00 0.00 C ATOM 257 OH TYR A 20 -19.442 -7.514 -6.332 1.00 0.00 O ATOM 0 H TYR A 20 -13.331 -4.904 -4.041 1.00 0.00 H new ATOM 0 HA TYR A 20 -15.780 -3.323 -4.083 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -14.776 -5.826 -2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -16.049 -4.937 -1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -15.339 -5.813 -5.543 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -18.146 -5.860 -2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.005 -6.846 -7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -19.813 -6.899 -3.812 1.00 0.00 H new ATOM 0 HH TYR A 20 -20.272 -7.664 -5.834 1.00 0.00 H new ATOM 267 N PHE A 21 -15.595 -1.991 -1.969 1.00 0.00 N ATOM 268 CA PHE A 21 -15.381 -1.043 -0.882 1.00 0.00 C ATOM 269 C PHE A 21 -15.136 -1.774 0.436 1.00 0.00 C ATOM 270 O PHE A 21 -14.474 -1.253 1.333 1.00 0.00 O ATOM 271 CB PHE A 21 -16.586 -0.111 -0.744 1.00 0.00 C ATOM 272 CG PHE A 21 -16.457 0.873 0.384 1.00 0.00 C ATOM 273 CD1 PHE A 21 -16.843 0.528 1.669 1.00 0.00 C ATOM 274 CD2 PHE A 21 -15.951 2.143 0.158 1.00 0.00 C ATOM 275 CE1 PHE A 21 -16.725 1.430 2.709 1.00 0.00 C ATOM 276 CE2 PHE A 21 -15.831 3.050 1.194 1.00 0.00 C ATOM 277 CZ PHE A 21 -16.220 2.693 2.471 1.00 0.00 C ATOM 0 H PHE A 21 -16.501 -1.907 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 21 -14.498 -0.450 -1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -16.722 0.435 -1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -17.483 -0.711 -0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -17.241 -0.458 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -15.647 2.427 -0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -17.027 1.148 3.707 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.434 4.036 1.006 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.129 3.401 3.282 1.00 0.00 H new ATOM 287 N ALA A 22 -15.675 -2.984 0.543 1.00 0.00 N ATOM 288 CA ALA A 22 -15.514 -3.787 1.749 1.00 0.00 C ATOM 289 C ALA A 22 -14.092 -4.326 1.864 1.00 0.00 C ATOM 290 O ALA A 22 -13.667 -4.755 2.936 1.00 0.00 O ATOM 291 CB ALA A 22 -16.516 -4.931 1.758 1.00 0.00 C ATOM 0 H ALA A 22 -16.227 -3.429 -0.190 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.702 -3.146 2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -16.385 -5.523 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -17.528 -4.528 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -16.354 -5.563 0.885 1.00 0.00 H new ATOM 297 N GLU A 23 -13.363 -4.300 0.753 1.00 0.00 N ATOM 298 CA GLU A 23 -11.989 -4.788 0.731 1.00 0.00 C ATOM 299 C GLU A 23 -11.058 -3.763 0.090 1.00 0.00 C ATOM 300 O GLU A 23 -9.915 -4.072 -0.251 1.00 0.00 O ATOM 301 CB GLU A 23 -11.907 -6.114 -0.029 1.00 0.00 C ATOM 302 CG GLU A 23 -12.708 -7.234 0.613 1.00 0.00 C ATOM 303 CD GLU A 23 -12.535 -8.559 -0.103 1.00 0.00 C ATOM 304 OE1 GLU A 23 -12.857 -8.630 -1.308 1.00 0.00 O ATOM 305 OE2 GLU A 23 -12.076 -9.526 0.541 1.00 0.00 O ATOM 0 H GLU A 23 -13.700 -3.947 -0.142 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.671 -4.948 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.263 -5.962 -1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.863 -6.419 -0.099 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.402 -7.345 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.764 -6.963 0.619 1.00 0.00 H new ATOM 312 N LYS A 24 -11.554 -2.542 -0.072 1.00 0.00 N ATOM 313 CA LYS A 24 -10.769 -1.469 -0.672 1.00 0.00 C ATOM 314 C LYS A 24 -9.618 -1.061 0.242 1.00 0.00 C ATOM 315 O LYS A 24 -9.770 -1.011 1.463 1.00 0.00 O ATOM 316 CB LYS A 24 -11.659 -0.258 -0.961 1.00 0.00 C ATOM 317 CG LYS A 24 -12.185 -0.216 -2.385 1.00 0.00 C ATOM 318 CD LYS A 24 -12.983 1.050 -2.647 1.00 0.00 C ATOM 319 CE LYS A 24 -12.081 2.200 -3.068 1.00 0.00 C ATOM 320 NZ LYS A 24 -12.862 3.352 -3.598 1.00 0.00 N ATOM 0 H LYS A 24 -12.497 -2.270 0.204 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.352 -1.838 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.503 -0.265 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.094 0.653 -0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.351 -0.272 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.813 -1.088 -2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.721 0.861 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.533 1.328 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.486 2.526 -2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.382 1.854 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.211 4.115 -3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.410 3.047 -4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.511 3.699 -2.863 1.00 0.00 H new ATOM 334 N VAL A 25 -8.467 -0.770 -0.356 1.00 0.00 N ATOM 335 CA VAL A 25 -7.292 -0.364 0.404 1.00 0.00 C ATOM 336 C VAL A 25 -6.524 0.737 -0.318 1.00 0.00 C ATOM 337 O VAL A 25 -6.069 0.554 -1.447 1.00 0.00 O ATOM 338 CB VAL A 25 -6.346 -1.554 0.655 1.00 0.00 C ATOM 339 CG1 VAL A 25 -5.832 -2.114 -0.663 1.00 0.00 C ATOM 340 CG2 VAL A 25 -5.192 -1.137 1.554 1.00 0.00 C ATOM 0 H VAL A 25 -8.324 -0.808 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.650 0.014 1.362 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.905 -2.340 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.165 -2.954 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.674 -2.453 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.288 -1.337 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.534 -1.990 1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.631 -0.334 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.583 -0.788 2.510 1.00 0.00 H new ATOM 350 N SER A 26 -6.382 1.883 0.342 1.00 0.00 N ATOM 351 CA SER A 26 -5.671 3.016 -0.239 1.00 0.00 C ATOM 352 C SER A 26 -4.164 2.780 -0.219 1.00 0.00 C ATOM 353 O SER A 26 -3.619 2.257 0.752 1.00 0.00 O ATOM 354 CB SER A 26 -6.008 4.300 0.523 1.00 0.00 C ATOM 355 OG SER A 26 -5.441 4.286 1.821 1.00 0.00 O ATOM 0 H SER A 26 -6.750 2.051 1.278 1.00 0.00 H new ATOM 0 HA SER A 26 -5.990 3.122 -1.276 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.637 5.163 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.090 4.410 0.596 1.00 0.00 H new ATOM 0 HG SER A 26 -5.669 5.118 2.287 1.00 0.00 H new ATOM 361 N SER A 27 -3.497 3.170 -1.301 1.00 0.00 N ATOM 362 CA SER A 27 -2.053 2.998 -1.411 1.00 0.00 C ATOM 363 C SER A 27 -1.497 3.807 -2.579 1.00 0.00 C ATOM 364 O SER A 27 -1.783 3.519 -3.742 1.00 0.00 O ATOM 365 CB SER A 27 -1.707 1.518 -1.591 1.00 0.00 C ATOM 366 OG SER A 27 -0.394 1.243 -1.135 1.00 0.00 O ATOM 0 H SER A 27 -3.933 3.607 -2.113 1.00 0.00 H new ATOM 0 HA SER A 27 -1.597 3.362 -0.490 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.422 0.905 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.795 1.246 -2.643 1.00 0.00 H new ATOM 0 HG SER A 27 0.205 1.140 -1.904 1.00 0.00 H new ATOM 372 N LEU A 28 -0.701 4.822 -2.261 1.00 0.00 N ATOM 373 CA LEU A 28 -0.104 5.675 -3.283 1.00 0.00 C ATOM 374 C LEU A 28 -1.180 6.389 -4.093 1.00 0.00 C ATOM 375 O LEU A 28 -0.986 6.696 -5.269 1.00 0.00 O ATOM 376 CB LEU A 28 0.784 4.845 -4.212 1.00 0.00 C ATOM 377 CG LEU A 28 2.251 4.715 -3.800 1.00 0.00 C ATOM 378 CD1 LEU A 28 2.368 3.997 -2.464 1.00 0.00 C ATOM 379 CD2 LEU A 28 3.043 3.982 -4.872 1.00 0.00 C ATOM 0 H LEU A 28 -0.454 5.074 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 28 0.506 6.427 -2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.359 3.844 -4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.745 5.286 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 28 2.668 5.716 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.419 3.913 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.835 4.562 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.934 3.000 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.085 3.899 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.626 2.985 -5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.987 4.536 -5.809 1.00 0.00 H new ATOM 391 N GLY A 29 -2.316 6.653 -3.455 1.00 0.00 N ATOM 392 CA GLY A 29 -3.406 7.332 -4.132 1.00 0.00 C ATOM 393 C GLY A 29 -4.118 6.438 -5.127 1.00 0.00 C ATOM 394 O GLY A 29 -4.505 6.883 -6.208 1.00 0.00 O ATOM 0 H GLY A 29 -2.501 6.409 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.122 7.689 -3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.018 8.209 -4.650 1.00 0.00 H new ATOM 398 N LYS A 30 -4.289 5.171 -4.765 1.00 0.00 N ATOM 399 CA LYS A 30 -4.957 4.210 -5.634 1.00 0.00 C ATOM 400 C LYS A 30 -5.623 3.108 -4.816 1.00 0.00 C ATOM 401 O LYS A 30 -5.339 2.945 -3.629 1.00 0.00 O ATOM 402 CB LYS A 30 -3.957 3.596 -6.616 1.00 0.00 C ATOM 403 CG LYS A 30 -4.543 3.321 -7.990 1.00 0.00 C ATOM 404 CD LYS A 30 -4.675 4.596 -8.805 1.00 0.00 C ATOM 405 CE LYS A 30 -4.534 4.321 -10.295 1.00 0.00 C ATOM 406 NZ LYS A 30 -4.585 5.575 -11.097 1.00 0.00 N ATOM 0 H LYS A 30 -3.974 4.786 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.728 4.740 -6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.105 4.268 -6.722 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.577 2.663 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.908 2.612 -8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.522 2.854 -7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.643 5.056 -8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.913 5.310 -8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.591 3.808 -10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.331 3.651 -10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.486 5.346 -12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.496 6.052 -10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.810 6.204 -10.807 1.00 0.00 H new ATOM 420 N ASP A 31 -6.509 2.354 -5.457 1.00 0.00 N ATOM 421 CA ASP A 31 -7.214 1.266 -4.790 1.00 0.00 C ATOM 422 C ASP A 31 -6.688 -0.088 -5.255 1.00 0.00 C ATOM 423 O ASP A 31 -6.824 -0.450 -6.424 1.00 0.00 O ATOM 424 CB ASP A 31 -8.716 1.363 -5.057 1.00 0.00 C ATOM 425 CG ASP A 31 -9.212 2.795 -5.067 1.00 0.00 C ATOM 426 OD1 ASP A 31 -8.856 3.553 -4.140 1.00 0.00 O ATOM 427 OD2 ASP A 31 -9.954 3.159 -6.003 1.00 0.00 O ATOM 0 H ASP A 31 -6.756 2.477 -6.439 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.038 1.355 -3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.942 0.897 -6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.254 0.801 -4.294 1.00 0.00 H new ATOM 432 N TRP A 32 -6.087 -0.832 -4.333 1.00 0.00 N ATOM 433 CA TRP A 32 -5.539 -2.146 -4.650 1.00 0.00 C ATOM 434 C TRP A 32 -6.276 -3.241 -3.886 1.00 0.00 C ATOM 435 O TRP A 32 -7.223 -2.967 -3.148 1.00 0.00 O ATOM 436 CB TRP A 32 -4.046 -2.193 -4.319 1.00 0.00 C ATOM 437 CG TRP A 32 -3.306 -0.959 -4.739 1.00 0.00 C ATOM 438 CD1 TRP A 32 -3.458 0.300 -4.233 1.00 0.00 C ATOM 439 CD2 TRP A 32 -2.300 -0.868 -5.753 1.00 0.00 C ATOM 440 NE1 TRP A 32 -2.606 1.169 -4.872 1.00 0.00 N ATOM 441 CE2 TRP A 32 -1.884 0.477 -5.808 1.00 0.00 C ATOM 442 CE3 TRP A 32 -1.708 -1.791 -6.619 1.00 0.00 C ATOM 443 CZ2 TRP A 32 -0.906 0.918 -6.695 1.00 0.00 C ATOM 444 CZ3 TRP A 32 -0.737 -1.352 -7.499 1.00 0.00 C ATOM 445 CH2 TRP A 32 -0.343 -0.007 -7.531 1.00 0.00 C ATOM 0 H TRP A 32 -5.967 -0.548 -3.361 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.673 -2.320 -5.718 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.923 -2.334 -3.245 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.600 -3.059 -4.807 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.146 0.573 -3.447 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.525 2.167 -4.680 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.004 -2.829 -6.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.602 1.954 -6.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.274 -2.057 -8.173 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.420 0.305 -8.229 1.00 0.00 H new ATOM 456 N HIS A 33 -5.836 -4.482 -4.068 1.00 0.00 N ATOM 457 CA HIS A 33 -6.455 -5.619 -3.395 1.00 0.00 C ATOM 458 C HIS A 33 -5.610 -6.074 -2.209 1.00 0.00 C ATOM 459 O HIS A 33 -4.388 -5.924 -2.210 1.00 0.00 O ATOM 460 CB HIS A 33 -6.644 -6.777 -4.375 1.00 0.00 C ATOM 461 CG HIS A 33 -7.924 -6.703 -5.150 1.00 0.00 C ATOM 462 ND1 HIS A 33 -7.966 -6.587 -6.523 1.00 0.00 N ATOM 463 CD2 HIS A 33 -9.212 -6.731 -4.736 1.00 0.00 C ATOM 464 CE1 HIS A 33 -9.225 -6.545 -6.921 1.00 0.00 C ATOM 465 NE2 HIS A 33 -10.002 -6.631 -5.855 1.00 0.00 N ATOM 0 H HIS A 33 -5.054 -4.726 -4.675 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.430 -5.303 -3.024 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.807 -6.792 -5.073 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.616 -7.717 -3.824 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.555 -6.816 -3.715 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -9.562 -6.456 -7.943 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.022 -6.624 -5.862 1.00 0.00 H new ATOM 473 N LYS A 34 -6.269 -6.629 -1.198 1.00 0.00 N ATOM 474 CA LYS A 34 -5.579 -7.106 -0.005 1.00 0.00 C ATOM 475 C LYS A 34 -4.655 -8.272 -0.340 1.00 0.00 C ATOM 476 O LYS A 34 -3.869 -8.716 0.497 1.00 0.00 O ATOM 477 CB LYS A 34 -6.593 -7.535 1.058 1.00 0.00 C ATOM 478 CG LYS A 34 -6.990 -6.417 2.006 1.00 0.00 C ATOM 479 CD LYS A 34 -8.164 -5.618 1.466 1.00 0.00 C ATOM 480 CE LYS A 34 -8.943 -4.945 2.586 1.00 0.00 C ATOM 481 NZ LYS A 34 -8.058 -4.134 3.468 1.00 0.00 N ATOM 0 H LYS A 34 -7.280 -6.760 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.975 -6.287 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.487 -7.915 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.174 -8.359 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.251 -6.838 2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.140 -5.754 2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.801 -4.863 0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.827 -6.277 0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.714 -4.305 2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.452 -5.703 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.640 -3.522 4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.485 -4.767 4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.431 -3.545 2.884 1.00 0.00 H new ATOM 495 N PHE A 35 -4.753 -8.764 -1.571 1.00 0.00 N ATOM 496 CA PHE A 35 -3.925 -9.878 -2.017 1.00 0.00 C ATOM 497 C PHE A 35 -2.936 -9.427 -3.088 1.00 0.00 C ATOM 498 O PHE A 35 -1.885 -10.040 -3.277 1.00 0.00 O ATOM 499 CB PHE A 35 -4.803 -11.007 -2.562 1.00 0.00 C ATOM 500 CG PHE A 35 -5.556 -11.749 -1.494 1.00 0.00 C ATOM 501 CD1 PHE A 35 -6.549 -11.118 -0.763 1.00 0.00 C ATOM 502 CD2 PHE A 35 -5.270 -13.077 -1.222 1.00 0.00 C ATOM 503 CE1 PHE A 35 -7.243 -11.798 0.220 1.00 0.00 C ATOM 504 CE2 PHE A 35 -5.961 -13.763 -0.241 1.00 0.00 C ATOM 505 CZ PHE A 35 -6.949 -13.122 0.481 1.00 0.00 C ATOM 0 H PHE A 35 -5.398 -8.409 -2.277 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.362 -10.245 -1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.515 -10.591 -3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.177 -11.711 -3.110 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.784 -10.083 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.498 -13.582 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.015 -11.294 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.729 -14.798 -0.039 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.491 -13.655 1.248 1.00 0.00 H new ATOM 515 N CYS A 36 -3.280 -8.350 -3.786 1.00 0.00 N ATOM 516 CA CYS A 36 -2.425 -7.815 -4.839 1.00 0.00 C ATOM 517 C CYS A 36 -1.284 -6.993 -4.248 1.00 0.00 C ATOM 518 O CYS A 36 -0.186 -6.945 -4.803 1.00 0.00 O ATOM 519 CB CYS A 36 -3.245 -6.952 -5.801 1.00 0.00 C ATOM 520 SG CYS A 36 -4.294 -7.906 -6.945 1.00 0.00 S ATOM 0 H CYS A 36 -4.146 -7.830 -3.641 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.998 -8.654 -5.388 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.877 -6.280 -5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.566 -6.329 -6.382 1.00 0.00 H new ATOM 525 N LEU A 37 -1.551 -6.347 -3.118 1.00 0.00 N ATOM 526 CA LEU A 37 -0.547 -5.527 -2.449 1.00 0.00 C ATOM 527 C LEU A 37 0.629 -6.378 -1.983 1.00 0.00 C ATOM 528 O LEU A 37 0.771 -6.663 -0.794 1.00 0.00 O ATOM 529 CB LEU A 37 -1.168 -4.797 -1.257 1.00 0.00 C ATOM 530 CG LEU A 37 -0.514 -3.471 -0.867 1.00 0.00 C ATOM 531 CD1 LEU A 37 -0.579 -2.484 -2.022 1.00 0.00 C ATOM 532 CD2 LEU A 37 -1.182 -2.891 0.371 1.00 0.00 C ATOM 0 H LEU A 37 -2.455 -6.375 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.178 -4.792 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.219 -4.610 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.138 -5.462 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 37 0.534 -3.659 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.109 -1.546 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.054 -2.897 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.621 -2.300 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.704 -1.948 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.239 -2.718 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.083 -3.592 1.200 1.00 0.00 H new ATOM 544 N LYS A 38 1.473 -6.780 -2.927 1.00 0.00 N ATOM 545 CA LYS A 38 2.640 -7.597 -2.614 1.00 0.00 C ATOM 546 C LYS A 38 3.809 -7.247 -3.529 1.00 0.00 C ATOM 547 O LYS A 38 3.617 -6.893 -4.692 1.00 0.00 O ATOM 548 CB LYS A 38 2.300 -9.082 -2.749 1.00 0.00 C ATOM 549 CG LYS A 38 1.545 -9.645 -1.557 1.00 0.00 C ATOM 550 CD LYS A 38 2.487 -10.016 -0.425 1.00 0.00 C ATOM 551 CE LYS A 38 1.785 -10.854 0.633 1.00 0.00 C ATOM 552 NZ LYS A 38 0.661 -10.114 1.271 1.00 0.00 N ATOM 0 H LYS A 38 1.371 -6.553 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 38 2.932 -7.390 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.703 -9.229 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.223 -9.646 -2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.822 -8.910 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.981 -10.525 -1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.337 -10.570 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.883 -9.109 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.406 -11.769 0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.504 -11.151 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.363 -10.612 2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.973 -9.153 1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.139 -10.060 0.609 1.00 0.00 H new ATOM 566 N CYS A 39 5.022 -7.349 -2.996 1.00 0.00 N ATOM 567 CA CYS A 39 6.224 -7.044 -3.763 1.00 0.00 C ATOM 568 C CYS A 39 6.593 -8.207 -4.680 1.00 0.00 C ATOM 569 O CYS A 39 6.938 -9.292 -4.214 1.00 0.00 O ATOM 570 CB CYS A 39 7.390 -6.732 -2.823 1.00 0.00 C ATOM 571 SG CYS A 39 8.872 -6.089 -3.665 1.00 0.00 S ATOM 0 H CYS A 39 5.199 -7.641 -2.035 1.00 0.00 H new ATOM 0 HA CYS A 39 6.019 -6.168 -4.379 1.00 0.00 H new ATOM 0 HB2 CYS A 39 7.061 -6.003 -2.083 1.00 0.00 H new ATOM 0 HB3 CYS A 39 7.658 -7.639 -2.280 1.00 0.00 H new ATOM 576 N GLU A 40 6.517 -7.971 -5.986 1.00 0.00 N ATOM 577 CA GLU A 40 6.842 -8.999 -6.968 1.00 0.00 C ATOM 578 C GLU A 40 8.347 -9.246 -7.018 1.00 0.00 C ATOM 579 O GLU A 40 8.828 -10.051 -7.816 1.00 0.00 O ATOM 580 CB GLU A 40 6.335 -8.592 -8.353 1.00 0.00 C ATOM 581 CG GLU A 40 6.469 -9.688 -9.397 1.00 0.00 C ATOM 582 CD GLU A 40 5.848 -10.997 -8.951 1.00 0.00 C ATOM 583 OE1 GLU A 40 4.605 -11.112 -9.004 1.00 0.00 O ATOM 584 OE2 GLU A 40 6.603 -11.907 -8.550 1.00 0.00 O ATOM 0 H GLU A 40 6.233 -7.078 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 40 6.349 -9.923 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.287 -8.301 -8.276 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.886 -7.713 -8.688 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.995 -9.362 -10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.524 -9.847 -9.618 1.00 0.00 H new ATOM 591 N ARG A 41 9.085 -8.548 -6.161 1.00 0.00 N ATOM 592 CA ARG A 41 10.535 -8.690 -6.108 1.00 0.00 C ATOM 593 C ARG A 41 10.942 -9.727 -5.066 1.00 0.00 C ATOM 594 O ARG A 41 11.695 -10.656 -5.360 1.00 0.00 O ATOM 595 CB ARG A 41 11.189 -7.345 -5.787 1.00 0.00 C ATOM 596 CG ARG A 41 12.583 -7.190 -6.373 1.00 0.00 C ATOM 597 CD ARG A 41 12.542 -6.536 -7.745 1.00 0.00 C ATOM 598 NE ARG A 41 12.422 -7.521 -8.817 1.00 0.00 N ATOM 599 CZ ARG A 41 13.457 -8.170 -9.338 1.00 0.00 C ATOM 600 NH1 ARG A 41 14.683 -7.940 -8.888 1.00 0.00 N ATOM 601 NH2 ARG A 41 13.267 -9.051 -10.311 1.00 0.00 N ATOM 0 H ARG A 41 8.702 -7.878 -5.494 1.00 0.00 H new ATOM 0 HA ARG A 41 10.878 -9.029 -7.086 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.554 -6.543 -6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.244 -7.226 -4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.196 -6.590 -5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.057 -8.168 -6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.701 -5.845 -7.792 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.447 -5.947 -7.893 1.00 0.00 H new ATOM 0 HE ARG A 41 11.492 -7.721 -9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.833 -7.263 -8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.476 -8.440 -9.290 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.325 -9.231 -10.660 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.062 -9.549 -10.711 1.00 0.00 H new ATOM 615 N CYS A 42 10.440 -9.562 -3.847 1.00 0.00 N ATOM 616 CA CYS A 42 10.751 -10.482 -2.760 1.00 0.00 C ATOM 617 C CYS A 42 9.481 -11.127 -2.213 1.00 0.00 C ATOM 618 O CYS A 42 9.478 -11.679 -1.112 1.00 0.00 O ATOM 619 CB CYS A 42 11.488 -9.748 -1.638 1.00 0.00 C ATOM 620 SG CYS A 42 10.522 -8.412 -0.863 1.00 0.00 S ATOM 0 H CYS A 42 9.815 -8.799 -3.587 1.00 0.00 H new ATOM 0 HA CYS A 42 11.395 -11.268 -3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.771 -10.469 -0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 42 12.412 -9.329 -2.038 1.00 0.00 H new ATOM 625 N SER A 43 8.405 -11.053 -2.989 1.00 0.00 N ATOM 626 CA SER A 43 7.128 -11.626 -2.581 1.00 0.00 C ATOM 627 C SER A 43 6.885 -11.407 -1.091 1.00 0.00 C ATOM 628 O SER A 43 6.459 -12.316 -0.378 1.00 0.00 O ATOM 629 CB SER A 43 7.090 -13.122 -2.901 1.00 0.00 C ATOM 630 OG SER A 43 5.832 -13.683 -2.568 1.00 0.00 O ATOM 0 H SER A 43 8.392 -10.602 -3.904 1.00 0.00 H new ATOM 0 HA SER A 43 6.338 -11.122 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.291 -13.275 -3.961 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.878 -13.635 -2.350 1.00 0.00 H new ATOM 0 HG SER A 43 5.581 -13.409 -1.661 1.00 0.00 H new ATOM 636 N LYS A 44 7.159 -10.193 -0.625 1.00 0.00 N ATOM 637 CA LYS A 44 6.971 -9.851 0.779 1.00 0.00 C ATOM 638 C LYS A 44 5.707 -9.018 0.972 1.00 0.00 C ATOM 639 O LYS A 44 5.113 -8.539 0.005 1.00 0.00 O ATOM 640 CB LYS A 44 8.185 -9.083 1.306 1.00 0.00 C ATOM 641 CG LYS A 44 8.069 -8.691 2.769 1.00 0.00 C ATOM 642 CD LYS A 44 9.415 -8.285 3.346 1.00 0.00 C ATOM 643 CE LYS A 44 9.850 -6.918 2.838 1.00 0.00 C ATOM 644 NZ LYS A 44 11.023 -6.395 3.591 1.00 0.00 N ATOM 0 H LYS A 44 7.513 -9.429 -1.201 1.00 0.00 H new ATOM 0 HA LYS A 44 6.864 -10.779 1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.077 -9.695 1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.323 -8.183 0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.365 -7.865 2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.665 -9.527 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.355 -8.268 4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.166 -9.029 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.099 -6.986 1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.020 -6.217 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.289 -5.462 3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.778 -6.306 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.823 -7.051 3.487 1.00 0.00 H new ATOM 658 N THR A 45 5.301 -8.848 2.226 1.00 0.00 N ATOM 659 CA THR A 45 4.109 -8.073 2.545 1.00 0.00 C ATOM 660 C THR A 45 4.445 -6.597 2.725 1.00 0.00 C ATOM 661 O THR A 45 5.236 -6.231 3.595 1.00 0.00 O ATOM 662 CB THR A 45 3.427 -8.592 3.825 1.00 0.00 C ATOM 663 OG1 THR A 45 3.146 -9.991 3.697 1.00 0.00 O ATOM 664 CG2 THR A 45 2.137 -7.833 4.097 1.00 0.00 C ATOM 0 H THR A 45 5.781 -9.237 3.038 1.00 0.00 H new ATOM 0 HA THR A 45 3.424 -8.187 1.705 1.00 0.00 H new ATOM 0 HB THR A 45 4.106 -8.433 4.663 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.714 -10.314 4.515 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.674 -8.217 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.358 -6.773 4.223 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.454 -7.964 3.258 1.00 0.00 H new ATOM 672 N LEU A 46 3.838 -5.752 1.898 1.00 0.00 N ATOM 673 CA LEU A 46 4.072 -4.314 1.967 1.00 0.00 C ATOM 674 C LEU A 46 2.993 -3.626 2.797 1.00 0.00 C ATOM 675 O LEU A 46 2.013 -4.251 3.204 1.00 0.00 O ATOM 676 CB LEU A 46 4.107 -3.716 0.560 1.00 0.00 C ATOM 677 CG LEU A 46 5.149 -4.304 -0.394 1.00 0.00 C ATOM 678 CD1 LEU A 46 4.794 -3.980 -1.837 1.00 0.00 C ATOM 679 CD2 LEU A 46 6.537 -3.782 -0.054 1.00 0.00 C ATOM 0 H LEU A 46 3.181 -6.038 1.172 1.00 0.00 H new ATOM 0 HA LEU A 46 5.035 -4.150 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.122 -3.839 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.287 -2.644 0.647 1.00 0.00 H new ATOM 0 HG LEU A 46 5.151 -5.388 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.546 -4.406 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.818 -4.403 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.763 -2.899 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.266 -4.210 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.549 -2.696 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.792 -4.065 0.967 1.00 0.00 H new ATOM 691 N THR A 47 3.179 -2.333 3.044 1.00 0.00 N ATOM 692 CA THR A 47 2.222 -1.559 3.825 1.00 0.00 C ATOM 693 C THR A 47 1.548 -0.493 2.968 1.00 0.00 C ATOM 694 O THR A 47 2.201 0.275 2.262 1.00 0.00 O ATOM 695 CB THR A 47 2.898 -0.880 5.030 1.00 0.00 C ATOM 696 OG1 THR A 47 3.664 -1.840 5.767 1.00 0.00 O ATOM 697 CG2 THR A 47 1.863 -0.241 5.943 1.00 0.00 C ATOM 0 H THR A 47 3.984 -1.800 2.714 1.00 0.00 H new ATOM 0 HA THR A 47 1.470 -2.260 4.188 1.00 0.00 H new ATOM 0 HB THR A 47 3.559 -0.099 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.092 -1.400 6.531 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.365 0.232 6.787 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.302 0.510 5.387 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.180 -1.007 6.310 1.00 0.00 H new ATOM 705 N PRO A 48 0.209 -0.442 3.030 1.00 0.00 N ATOM 706 CA PRO A 48 -0.583 0.527 2.267 1.00 0.00 C ATOM 707 C PRO A 48 -0.408 1.952 2.781 1.00 0.00 C ATOM 708 O PRO A 48 -1.162 2.410 3.638 1.00 0.00 O ATOM 709 CB PRO A 48 -2.023 0.055 2.480 1.00 0.00 C ATOM 710 CG PRO A 48 -1.992 -0.684 3.774 1.00 0.00 C ATOM 711 CD PRO A 48 -0.635 -1.327 3.850 1.00 0.00 C ATOM 0 HA PRO A 48 -0.283 0.564 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.714 0.897 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.354 -0.588 1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.151 -0.008 4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.782 -1.434 3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.276 -1.386 4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.650 -2.344 3.458 1.00 0.00 H new ATOM 719 N GLY A 49 0.594 2.648 2.252 1.00 0.00 N ATOM 720 CA GLY A 49 0.850 4.014 2.669 1.00 0.00 C ATOM 721 C GLY A 49 2.298 4.242 3.053 1.00 0.00 C ATOM 722 O GLY A 49 2.587 4.876 4.067 1.00 0.00 O ATOM 0 H GLY A 49 1.233 2.290 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.581 4.694 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.210 4.258 3.517 1.00 0.00 H new ATOM 726 N GLY A 50 3.213 3.721 2.241 1.00 0.00 N ATOM 727 CA GLY A 50 4.629 3.879 2.519 1.00 0.00 C ATOM 728 C GLY A 50 5.481 2.865 1.784 1.00 0.00 C ATOM 729 O GLY A 50 6.231 2.109 2.402 1.00 0.00 O ATOM 0 H GLY A 50 2.999 3.192 1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.941 4.884 2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.798 3.782 3.591 1.00 0.00 H new ATOM 733 N HIS A 51 5.366 2.846 0.459 1.00 0.00 N ATOM 734 CA HIS A 51 6.132 1.915 -0.362 1.00 0.00 C ATOM 735 C HIS A 51 6.403 2.505 -1.742 1.00 0.00 C ATOM 736 O HIS A 51 5.772 3.480 -2.146 1.00 0.00 O ATOM 737 CB HIS A 51 5.384 0.588 -0.499 1.00 0.00 C ATOM 738 CG HIS A 51 4.226 0.649 -1.447 1.00 0.00 C ATOM 739 ND1 HIS A 51 4.377 0.721 -2.815 1.00 0.00 N ATOM 740 CD2 HIS A 51 2.893 0.646 -1.216 1.00 0.00 C ATOM 741 CE1 HIS A 51 3.186 0.761 -3.386 1.00 0.00 C ATOM 742 NE2 HIS A 51 2.268 0.716 -2.437 1.00 0.00 N ATOM 0 H HIS A 51 4.750 3.465 -0.068 1.00 0.00 H new ATOM 0 HA HIS A 51 7.087 1.735 0.131 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.080 -0.179 -0.838 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.024 0.280 0.483 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.269 0.740 -3.310 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.410 0.598 -0.251 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.996 0.820 -4.447 1.00 0.00 H new ATOM 750 N ALA A 52 7.347 1.906 -2.461 1.00 0.00 N ATOM 751 CA ALA A 52 7.701 2.371 -3.796 1.00 0.00 C ATOM 752 C ALA A 52 6.909 1.626 -4.865 1.00 0.00 C ATOM 753 O ALA A 52 6.472 0.495 -4.651 1.00 0.00 O ATOM 754 CB ALA A 52 9.195 2.207 -4.034 1.00 0.00 C ATOM 0 H ALA A 52 7.880 1.098 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 52 7.447 3.429 -3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.445 2.558 -5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.747 2.790 -3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.465 1.155 -3.941 1.00 0.00 H new ATOM 760 N GLU A 53 6.727 2.267 -6.015 1.00 0.00 N ATOM 761 CA GLU A 53 5.985 1.663 -7.116 1.00 0.00 C ATOM 762 C GLU A 53 6.720 1.859 -8.439 1.00 0.00 C ATOM 763 O GLU A 53 7.415 2.856 -8.635 1.00 0.00 O ATOM 764 CB GLU A 53 4.582 2.267 -7.206 1.00 0.00 C ATOM 765 CG GLU A 53 4.557 3.666 -7.797 1.00 0.00 C ATOM 766 CD GLU A 53 4.633 3.661 -9.312 1.00 0.00 C ATOM 767 OE1 GLU A 53 3.736 3.069 -9.948 1.00 0.00 O ATOM 768 OE2 GLU A 53 5.587 4.249 -9.861 1.00 0.00 O ATOM 0 H GLU A 53 7.083 3.203 -6.209 1.00 0.00 H new ATOM 0 HA GLU A 53 5.901 0.594 -6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.953 1.615 -7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.143 2.295 -6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.644 4.172 -7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.393 4.240 -7.397 1.00 0.00 H new ATOM 775 N HIS A 54 6.562 0.899 -9.345 1.00 0.00 N ATOM 776 CA HIS A 54 7.210 0.964 -10.650 1.00 0.00 C ATOM 777 C HIS A 54 6.372 0.254 -11.709 1.00 0.00 C ATOM 778 O HIS A 54 6.092 -0.939 -11.595 1.00 0.00 O ATOM 779 CB HIS A 54 8.604 0.340 -10.583 1.00 0.00 C ATOM 780 CG HIS A 54 9.161 -0.028 -11.923 1.00 0.00 C ATOM 781 ND1 HIS A 54 9.506 -1.319 -12.266 1.00 0.00 N ATOM 782 CD2 HIS A 54 9.430 0.733 -13.009 1.00 0.00 C ATOM 783 CE1 HIS A 54 9.966 -1.335 -13.504 1.00 0.00 C ATOM 784 NE2 HIS A 54 9.929 -0.103 -13.978 1.00 0.00 N ATOM 0 H HIS A 54 5.991 0.067 -9.199 1.00 0.00 H new ATOM 0 HA HIS A 54 7.303 2.013 -10.929 1.00 0.00 H new ATOM 0 HB2 HIS A 54 9.283 1.040 -10.096 1.00 0.00 H new ATOM 0 HB3 HIS A 54 8.564 -0.552 -9.958 1.00 0.00 H new ATOM 0 HD2 HIS A 54 9.280 1.799 -13.097 1.00 0.00 H new ATOM 0 HE1 HIS A 54 10.313 -2.207 -14.038 1.00 0.00 H new ATOM 0 HE2 HIS A 54 10.223 0.182 -14.912 1.00 0.00 H new ATOM 792 N ASP A 55 5.976 0.995 -12.738 1.00 0.00 N ATOM 793 CA ASP A 55 5.170 0.437 -13.817 1.00 0.00 C ATOM 794 C ASP A 55 3.841 -0.092 -13.286 1.00 0.00 C ATOM 795 O ASP A 55 3.269 -1.029 -13.841 1.00 0.00 O ATOM 796 CB ASP A 55 5.934 -0.685 -14.524 1.00 0.00 C ATOM 797 CG ASP A 55 5.271 -1.109 -15.820 1.00 0.00 C ATOM 798 OD1 ASP A 55 4.843 -0.221 -16.586 1.00 0.00 O ATOM 799 OD2 ASP A 55 5.181 -2.329 -16.068 1.00 0.00 O ATOM 0 H ASP A 55 6.200 1.984 -12.847 1.00 0.00 H new ATOM 0 HA ASP A 55 4.963 1.233 -14.532 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.951 -0.353 -14.731 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.008 -1.545 -13.859 1.00 0.00 H new ATOM 804 N GLY A 56 3.357 0.516 -12.208 1.00 0.00 N ATOM 805 CA GLY A 56 2.100 0.093 -11.619 1.00 0.00 C ATOM 806 C GLY A 56 2.282 -1.008 -10.593 1.00 0.00 C ATOM 807 O GLY A 56 1.422 -1.219 -9.738 1.00 0.00 O ATOM 0 H GLY A 56 3.813 1.294 -11.732 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.617 0.949 -11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.432 -0.255 -12.407 1.00 0.00 H new ATOM 811 N LYS A 57 3.404 -1.714 -10.678 1.00 0.00 N ATOM 812 CA LYS A 57 3.697 -2.801 -9.751 1.00 0.00 C ATOM 813 C LYS A 57 4.456 -2.285 -8.532 1.00 0.00 C ATOM 814 O LYS A 57 5.431 -1.542 -8.646 1.00 0.00 O ATOM 815 CB LYS A 57 4.514 -3.889 -10.450 1.00 0.00 C ATOM 816 CG LYS A 57 3.662 -4.954 -11.119 1.00 0.00 C ATOM 817 CD LYS A 57 2.955 -4.411 -12.350 1.00 0.00 C ATOM 818 CE LYS A 57 3.897 -4.327 -13.542 1.00 0.00 C ATOM 819 NZ LYS A 57 3.157 -4.328 -14.834 1.00 0.00 N ATOM 0 H LYS A 57 4.126 -1.553 -11.380 1.00 0.00 H new ATOM 0 HA LYS A 57 2.750 -3.225 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.155 -3.425 -11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.169 -4.365 -9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.290 -5.799 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.924 -5.329 -10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.109 -5.052 -12.598 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.552 -3.422 -12.133 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.497 -3.420 -13.468 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.588 -5.169 -13.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.632 -3.693 -15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.139 -5.292 -15.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.183 -4.000 -14.676 1.00 0.00 H new ATOM 833 N PRO A 58 4.001 -2.689 -7.337 1.00 0.00 N ATOM 834 CA PRO A 58 4.624 -2.282 -6.074 1.00 0.00 C ATOM 835 C PRO A 58 5.997 -2.913 -5.874 1.00 0.00 C ATOM 836 O PRO A 58 6.280 -3.988 -6.404 1.00 0.00 O ATOM 837 CB PRO A 58 3.643 -2.789 -5.014 1.00 0.00 C ATOM 838 CG PRO A 58 2.936 -3.927 -5.666 1.00 0.00 C ATOM 839 CD PRO A 58 2.844 -3.575 -7.126 1.00 0.00 C ATOM 0 HA PRO A 58 4.798 -1.207 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.165 -3.111 -4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.944 -2.008 -4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.482 -4.859 -5.523 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.945 -4.069 -5.235 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.897 -4.462 -7.757 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.905 -3.073 -7.360 1.00 0.00 H new ATOM 847 N PHE A 59 6.848 -2.240 -5.107 1.00 0.00 N ATOM 848 CA PHE A 59 8.193 -2.736 -4.838 1.00 0.00 C ATOM 849 C PHE A 59 8.799 -2.034 -3.626 1.00 0.00 C ATOM 850 O PHE A 59 8.709 -0.813 -3.492 1.00 0.00 O ATOM 851 CB PHE A 59 9.089 -2.531 -6.061 1.00 0.00 C ATOM 852 CG PHE A 59 8.619 -3.274 -7.279 1.00 0.00 C ATOM 853 CD1 PHE A 59 8.728 -4.653 -7.350 1.00 0.00 C ATOM 854 CD2 PHE A 59 8.069 -2.593 -8.353 1.00 0.00 C ATOM 855 CE1 PHE A 59 8.298 -5.339 -8.470 1.00 0.00 C ATOM 856 CE2 PHE A 59 7.636 -3.274 -9.475 1.00 0.00 C ATOM 857 CZ PHE A 59 7.750 -4.649 -9.533 1.00 0.00 C ATOM 0 H PHE A 59 6.630 -1.349 -4.660 1.00 0.00 H new ATOM 0 HA PHE A 59 8.124 -3.802 -4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.139 -1.467 -6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.102 -2.852 -5.818 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.154 -5.198 -6.521 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.978 -1.518 -8.313 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.391 -6.414 -8.514 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.209 -2.731 -10.305 1.00 0.00 H new ATOM 0 HZ PHE A 59 7.411 -5.184 -10.408 1.00 0.00 H new ATOM 867 N CYS A 60 9.415 -2.814 -2.745 1.00 0.00 N ATOM 868 CA CYS A 60 10.036 -2.270 -1.543 1.00 0.00 C ATOM 869 C CYS A 60 10.957 -1.103 -1.888 1.00 0.00 C ATOM 870 O CYS A 60 11.303 -0.893 -3.051 1.00 0.00 O ATOM 871 CB CYS A 60 10.825 -3.359 -0.814 1.00 0.00 C ATOM 872 SG CYS A 60 9.850 -4.847 -0.421 1.00 0.00 S ATOM 0 H CYS A 60 9.498 -3.826 -2.841 1.00 0.00 H new ATOM 0 HA CYS A 60 9.245 -1.905 -0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.677 -3.648 -1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.225 -2.945 0.112 1.00 0.00 H new ATOM 877 N HIS A 61 11.351 -0.347 -0.868 1.00 0.00 N ATOM 878 CA HIS A 61 12.233 0.799 -1.062 1.00 0.00 C ATOM 879 C HIS A 61 13.533 0.375 -1.740 1.00 0.00 C ATOM 880 O HIS A 61 13.959 0.982 -2.723 1.00 0.00 O ATOM 881 CB HIS A 61 12.539 1.467 0.279 1.00 0.00 C ATOM 882 CG HIS A 61 11.532 2.502 0.675 1.00 0.00 C ATOM 883 ND1 HIS A 61 11.367 3.691 -0.004 1.00 0.00 N ATOM 884 CD2 HIS A 61 10.632 2.521 1.687 1.00 0.00 C ATOM 885 CE1 HIS A 61 10.412 4.397 0.574 1.00 0.00 C ATOM 886 NE2 HIS A 61 9.949 3.709 1.602 1.00 0.00 N ATOM 0 H HIS A 61 11.074 -0.507 0.101 1.00 0.00 H new ATOM 0 HA HIS A 61 11.723 1.514 -1.708 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.586 0.702 1.054 1.00 0.00 H new ATOM 0 HB3 HIS A 61 13.524 1.931 0.228 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.480 1.746 2.424 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.068 5.371 0.259 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.205 4.011 2.231 1.00 0.00 H new ATOM 894 N LYS A 62 14.158 -0.670 -1.209 1.00 0.00 N ATOM 895 CA LYS A 62 15.409 -1.176 -1.762 1.00 0.00 C ATOM 896 C LYS A 62 15.919 -2.365 -0.955 1.00 0.00 C ATOM 897 O LYS A 62 15.515 -2.591 0.186 1.00 0.00 O ATOM 898 CB LYS A 62 16.466 -0.069 -1.783 1.00 0.00 C ATOM 899 CG LYS A 62 16.328 0.925 -0.644 1.00 0.00 C ATOM 900 CD LYS A 62 17.128 0.494 0.574 1.00 0.00 C ATOM 901 CE LYS A 62 16.798 1.347 1.789 1.00 0.00 C ATOM 902 NZ LYS A 62 15.578 0.861 2.492 1.00 0.00 N ATOM 0 H LYS A 62 13.819 -1.184 -0.396 1.00 0.00 H new ATOM 0 HA LYS A 62 15.218 -1.507 -2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.456 -0.523 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.401 0.466 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.667 1.907 -0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.277 1.025 -0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.919 -0.553 0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.193 0.567 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.642 1.339 2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.650 2.381 1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.386 1.468 3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.767 0.892 1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.728 -0.117 2.812 1.00 0.00 H new ATOM 916 N PRO A 63 16.829 -3.145 -1.558 1.00 0.00 N ATOM 917 CA PRO A 63 17.317 -2.886 -2.916 1.00 0.00 C ATOM 918 C PRO A 63 16.250 -3.145 -3.974 1.00 0.00 C ATOM 919 O PRO A 63 16.394 -2.739 -5.128 1.00 0.00 O ATOM 920 CB PRO A 63 18.475 -3.875 -3.071 1.00 0.00 C ATOM 921 CG PRO A 63 18.159 -4.980 -2.122 1.00 0.00 C ATOM 922 CD PRO A 63 17.451 -4.338 -0.961 1.00 0.00 C ATOM 0 HA PRO A 63 17.607 -1.844 -3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.548 -4.241 -4.095 1.00 0.00 H new ATOM 0 HB3 PRO A 63 19.430 -3.407 -2.831 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.529 -5.733 -2.595 1.00 0.00 H new ATOM 0 HG3 PRO A 63 19.068 -5.485 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 63 16.706 -5.005 -0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 63 18.145 -4.073 -0.164 1.00 0.00 H new ATOM 930 N CYS A 64 15.178 -3.821 -3.575 1.00 0.00 N ATOM 931 CA CYS A 64 14.086 -4.134 -4.488 1.00 0.00 C ATOM 932 C CYS A 64 13.963 -3.069 -5.574 1.00 0.00 C ATOM 933 O CYS A 64 14.379 -3.279 -6.714 1.00 0.00 O ATOM 934 CB CYS A 64 12.768 -4.250 -3.720 1.00 0.00 C ATOM 935 SG CYS A 64 12.676 -5.694 -2.613 1.00 0.00 S ATOM 0 H CYS A 64 15.042 -4.163 -2.624 1.00 0.00 H new ATOM 0 HA CYS A 64 14.306 -5.090 -4.964 1.00 0.00 H new ATOM 0 HB2 CYS A 64 12.622 -3.344 -3.131 1.00 0.00 H new ATOM 0 HB3 CYS A 64 11.947 -4.301 -4.435 1.00 0.00 H new ATOM 940 N TYR A 65 13.390 -1.927 -5.212 1.00 0.00 N ATOM 941 CA TYR A 65 13.210 -0.830 -6.155 1.00 0.00 C ATOM 942 C TYR A 65 14.548 -0.391 -6.742 1.00 0.00 C ATOM 943 O TYR A 65 14.683 -0.225 -7.954 1.00 0.00 O ATOM 944 CB TYR A 65 12.529 0.355 -5.468 1.00 0.00 C ATOM 945 CG TYR A 65 12.242 1.512 -6.398 1.00 0.00 C ATOM 946 CD1 TYR A 65 11.133 1.497 -7.236 1.00 0.00 C ATOM 947 CD2 TYR A 65 13.079 2.620 -6.439 1.00 0.00 C ATOM 948 CE1 TYR A 65 10.868 2.551 -8.088 1.00 0.00 C ATOM 949 CE2 TYR A 65 12.820 3.679 -7.287 1.00 0.00 C ATOM 950 CZ TYR A 65 11.714 3.640 -8.110 1.00 0.00 C ATOM 951 OH TYR A 65 11.452 4.693 -8.956 1.00 0.00 O ATOM 0 H TYR A 65 13.042 -1.737 -4.272 1.00 0.00 H new ATOM 0 HA TYR A 65 12.576 -1.184 -6.968 1.00 0.00 H new ATOM 0 HB2 TYR A 65 11.593 0.017 -5.023 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.162 0.704 -4.652 1.00 0.00 H new ATOM 0 HD1 TYR A 65 10.467 0.647 -7.220 1.00 0.00 H new ATOM 0 HD2 TYR A 65 13.947 2.654 -5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 65 10.003 2.523 -8.734 1.00 0.00 H new ATOM 0 HE2 TYR A 65 13.480 4.533 -7.306 1.00 0.00 H new ATOM 0 HH TYR A 65 11.996 4.605 -9.767 1.00 0.00 H new ATOM 961 N ALA A 66 15.536 -0.205 -5.872 1.00 0.00 N ATOM 962 CA ALA A 66 16.865 0.212 -6.303 1.00 0.00 C ATOM 963 C ALA A 66 17.288 -0.526 -7.568 1.00 0.00 C ATOM 964 O ALA A 66 17.460 0.081 -8.626 1.00 0.00 O ATOM 965 CB ALA A 66 17.877 -0.020 -5.191 1.00 0.00 C ATOM 0 H ALA A 66 15.441 -0.337 -4.865 1.00 0.00 H new ATOM 0 HA ALA A 66 16.829 1.277 -6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 66 18.865 0.296 -5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 66 17.591 0.557 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 66 17.902 -1.080 -4.937 1.00 0.00 H new ATOM 971 N THR A 67 17.456 -1.840 -7.454 1.00 0.00 N ATOM 972 CA THR A 67 17.861 -2.660 -8.589 1.00 0.00 C ATOM 973 C THR A 67 17.141 -2.233 -9.862 1.00 0.00 C ATOM 974 O THR A 67 17.664 -2.388 -10.966 1.00 0.00 O ATOM 975 CB THR A 67 17.581 -4.153 -8.331 1.00 0.00 C ATOM 976 OG1 THR A 67 18.421 -4.960 -9.164 1.00 0.00 O ATOM 977 CG2 THR A 67 16.121 -4.485 -8.602 1.00 0.00 C ATOM 0 H THR A 67 17.318 -2.359 -6.587 1.00 0.00 H new ATOM 0 HA THR A 67 18.934 -2.515 -8.716 1.00 0.00 H new ATOM 0 HB THR A 67 17.797 -4.365 -7.284 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.238 -5.907 -8.993 1.00 0.00 H new ATOM 0 HG21 THR A 67 15.948 -5.544 -8.413 1.00 0.00 H new ATOM 0 HG22 THR A 67 15.485 -3.891 -7.946 1.00 0.00 H new ATOM 0 HG23 THR A 67 15.883 -4.258 -9.641 1.00 0.00 H new ATOM 985 N LEU A 68 15.938 -1.692 -9.702 1.00 0.00 N ATOM 986 CA LEU A 68 15.145 -1.240 -10.840 1.00 0.00 C ATOM 987 C LEU A 68 15.597 0.141 -11.305 1.00 0.00 C ATOM 988 O LEU A 68 15.657 0.416 -12.503 1.00 0.00 O ATOM 989 CB LEU A 68 13.661 -1.206 -10.472 1.00 0.00 C ATOM 990 CG LEU A 68 13.110 -2.458 -9.788 1.00 0.00 C ATOM 991 CD1 LEU A 68 11.721 -2.194 -9.229 1.00 0.00 C ATOM 992 CD2 LEU A 68 13.083 -3.628 -10.760 1.00 0.00 C ATOM 0 H LEU A 68 15.491 -1.556 -8.796 1.00 0.00 H new ATOM 0 HA LEU A 68 15.294 -1.945 -11.658 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.489 -0.353 -9.816 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.086 -1.030 -11.381 1.00 0.00 H new ATOM 0 HG LEU A 68 13.769 -2.716 -8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.346 -3.096 -8.746 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.770 -1.386 -8.499 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.050 -1.911 -10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.688 -4.510 -10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 68 12.447 -3.380 -11.610 1.00 0.00 H new ATOM 0 HD23 LEU A 68 14.094 -3.833 -11.111 1.00 0.00 H new ATOM 1004 N PHE A 69 15.915 1.007 -10.348 1.00 0.00 N ATOM 1005 CA PHE A 69 16.363 2.359 -10.658 1.00 0.00 C ATOM 1006 C PHE A 69 17.814 2.563 -10.232 1.00 0.00 C ATOM 1007 O PHE A 69 18.088 3.137 -9.179 1.00 0.00 O ATOM 1008 CB PHE A 69 15.467 3.388 -9.965 1.00 0.00 C ATOM 1009 CG PHE A 69 14.057 3.400 -10.484 1.00 0.00 C ATOM 1010 CD1 PHE A 69 13.167 2.398 -10.133 1.00 0.00 C ATOM 1011 CD2 PHE A 69 13.622 4.414 -11.322 1.00 0.00 C ATOM 1012 CE1 PHE A 69 11.869 2.407 -10.608 1.00 0.00 C ATOM 1013 CE2 PHE A 69 12.326 4.428 -11.800 1.00 0.00 C ATOM 1014 CZ PHE A 69 11.448 3.423 -11.443 1.00 0.00 C ATOM 0 H PHE A 69 15.871 0.796 -9.351 1.00 0.00 H new ATOM 0 HA PHE A 69 16.297 2.498 -11.737 1.00 0.00 H new ATOM 0 HB2 PHE A 69 15.450 3.182 -8.895 1.00 0.00 H new ATOM 0 HB3 PHE A 69 15.901 4.380 -10.091 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.491 1.601 -9.481 1.00 0.00 H new ATOM 0 HD2 PHE A 69 14.304 5.202 -11.605 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.185 1.620 -10.326 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.999 5.224 -12.452 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.435 3.432 -11.816 1.00 0.00 H new ATOM 1024 N GLY A 70 18.740 2.087 -11.059 1.00 0.00 N ATOM 1025 CA GLY A 70 20.152 2.226 -10.751 1.00 0.00 C ATOM 1026 C GLY A 70 20.988 1.113 -11.351 1.00 0.00 C ATOM 1027 O GLY A 70 20.885 -0.042 -10.937 1.00 0.00 O ATOM 0 H GLY A 70 18.538 1.608 -11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 70 20.509 3.186 -11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 70 20.286 2.234 -9.669 1.00 0.00 H new ATOM 1031 N SER A 71 21.817 1.460 -12.330 1.00 0.00 N ATOM 1032 CA SER A 71 22.671 0.481 -12.992 1.00 0.00 C ATOM 1033 C SER A 71 24.112 0.977 -13.065 1.00 0.00 C ATOM 1034 O SER A 71 24.446 1.827 -13.888 1.00 0.00 O ATOM 1035 CB SER A 71 22.149 0.186 -14.399 1.00 0.00 C ATOM 1036 OG SER A 71 20.838 -0.350 -14.355 1.00 0.00 O ATOM 0 H SER A 71 21.915 2.412 -12.682 1.00 0.00 H new ATOM 0 HA SER A 71 22.651 -0.437 -12.405 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.151 1.102 -14.990 1.00 0.00 H new ATOM 0 HB3 SER A 71 22.816 -0.517 -14.898 1.00 0.00 H new ATOM 0 HG SER A 71 20.527 -0.528 -15.267 1.00 0.00 H new ATOM 1042 N GLY A 72 24.962 0.438 -12.195 1.00 0.00 N ATOM 1043 CA GLY A 72 26.357 0.838 -12.177 1.00 0.00 C ATOM 1044 C GLY A 72 26.769 1.442 -10.849 1.00 0.00 C ATOM 1045 O GLY A 72 27.054 2.635 -10.747 1.00 0.00 O ATOM 0 H GLY A 72 24.709 -0.268 -11.503 1.00 0.00 H new ATOM 0 HA2 GLY A 72 26.983 -0.029 -12.388 1.00 0.00 H new ATOM 0 HA3 GLY A 72 26.535 1.561 -12.973 1.00 0.00 H new ATOM 1049 N PRO A 73 26.803 0.607 -9.800 1.00 0.00 N ATOM 1050 CA PRO A 73 27.182 1.043 -8.453 1.00 0.00 C ATOM 1051 C PRO A 73 28.663 1.390 -8.350 1.00 0.00 C ATOM 1052 O PRO A 73 29.049 2.292 -7.608 1.00 0.00 O ATOM 1053 CB PRO A 73 26.855 -0.172 -7.581 1.00 0.00 C ATOM 1054 CG PRO A 73 26.933 -1.335 -8.508 1.00 0.00 C ATOM 1055 CD PRO A 73 26.476 -0.828 -9.848 1.00 0.00 C ATOM 0 HA PRO A 73 26.657 1.951 -8.157 1.00 0.00 H new ATOM 0 HB2 PRO A 73 27.564 -0.272 -6.760 1.00 0.00 H new ATOM 0 HB3 PRO A 73 25.863 -0.085 -7.137 1.00 0.00 H new ATOM 0 HG2 PRO A 73 27.950 -1.722 -8.564 1.00 0.00 H new ATOM 0 HG3 PRO A 73 26.299 -2.152 -8.163 1.00 0.00 H new ATOM 0 HD2 PRO A 73 26.993 -1.331 -10.665 1.00 0.00 H new ATOM 0 HD3 PRO A 73 25.409 -0.992 -9.997 1.00 0.00 H new ATOM 1063 N SER A 74 29.489 0.666 -9.100 1.00 0.00 N ATOM 1064 CA SER A 74 30.929 0.896 -9.091 1.00 0.00 C ATOM 1065 C SER A 74 31.559 0.444 -10.405 1.00 0.00 C ATOM 1066 O SER A 74 31.257 -0.636 -10.912 1.00 0.00 O ATOM 1067 CB SER A 74 31.577 0.154 -7.920 1.00 0.00 C ATOM 1068 OG SER A 74 31.325 -1.238 -7.996 1.00 0.00 O ATOM 0 H SER A 74 29.185 -0.084 -9.721 1.00 0.00 H new ATOM 0 HA SER A 74 31.101 1.966 -8.975 1.00 0.00 H new ATOM 0 HB2 SER A 74 32.652 0.333 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 74 31.191 0.546 -6.979 1.00 0.00 H new ATOM 0 HG SER A 74 31.751 -1.689 -7.238 1.00 0.00 H new ATOM 1074 N SER A 75 32.437 1.280 -10.951 1.00 0.00 N ATOM 1075 CA SER A 75 33.108 0.970 -12.207 1.00 0.00 C ATOM 1076 C SER A 75 32.097 0.813 -13.339 1.00 0.00 C ATOM 1077 O SER A 75 32.208 -0.091 -14.166 1.00 0.00 O ATOM 1078 CB SER A 75 33.935 -0.310 -12.067 1.00 0.00 C ATOM 1079 OG SER A 75 35.083 -0.090 -11.266 1.00 0.00 O ATOM 0 H SER A 75 32.700 2.177 -10.543 1.00 0.00 H new ATOM 0 HA SER A 75 33.773 1.799 -12.448 1.00 0.00 H new ATOM 0 HB2 SER A 75 33.323 -1.095 -11.623 1.00 0.00 H new ATOM 0 HB3 SER A 75 34.238 -0.661 -13.054 1.00 0.00 H new ATOM 0 HG SER A 75 35.594 -0.923 -11.190 1.00 0.00 H new ATOM 1085 N GLY A 76 31.108 1.702 -13.368 1.00 0.00 N ATOM 1086 CA GLY A 76 30.091 1.646 -14.401 1.00 0.00 C ATOM 1087 C GLY A 76 29.695 3.022 -14.900 1.00 0.00 C ATOM 1088 O GLY A 76 30.564 3.773 -15.339 1.00 0.00 O ATOM 0 H GLY A 76 30.994 2.459 -12.694 1.00 0.00 H new ATOM 0 HA2 GLY A 76 30.459 1.052 -15.237 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.210 1.137 -14.012 1.00 0.00 H new TER 1092 GLY A 76 HETATM 1093 ZN ZN A 201 -6.056 -6.684 -7.855 1.00 0.00 ZN HETATM 1094 ZN ZN A 401 10.531 -6.395 -2.060 1.00 0.00 ZN