USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 381 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 24 GLN : amide:sc= -0.828 X(o=0.16,f=0.29) USER MOD Set 1.2: A 36 THR OG1 : rot 126:sc= 0.983 USER MOD Set 2.1: A 5 THR OG1 : rot 140:sc= -0.069 USER MOD Set 2.2: A 6 GLN : amide:sc= -1.17 K(o=-4.7,f=-11!) USER MOD Set 2.3: A 19 ASN :FLIP amide:sc=-0.00934 F(o=-8.5!,f=-4.7) USER MOD Set 2.4: A 21 THR OG1 : rot 99:sc= 2.73 USER MOD Set 2.5: A 41 ASN :FLIP amide:sc= -6.18! C(o=-6.8!,f=-4.7!) USER MOD Single : A 1 LYS N :NH3+ -153:sc= -0.503 (180deg=-1.77) USER MOD Single : A 1 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.163) USER MOD Single : A 2 THR OG1 : rot -55:sc= 0.331 USER MOD Single : A 7 THR OG1 : rot 101:sc= -1.51 USER MOD Single : A 11 THR OG1 : rot -85:sc= 0.367 USER MOD Single : A 14 LYS NZ :NH3+ -126:sc= 0.1 (180deg=-0.111) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.149) USER MOD Single : A 17 LYS NZ :NH3+ 143:sc= -0.0365 (180deg=-0.0937) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot -153:sc= -0.354! USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.81 K(o=-1.8,f=-4.8!) USER MOD Single : A 27 THR OG1 : rot -72:sc= -0.846 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 170:sc= -0.0108 (180deg=-0.202) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0524 USER MOD Single : A 45 ASN :FLIP amide:sc= -2.98 F(o=-5.5!,f=-3) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0481) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.276 -9.937 -0.039 1.00 0.00 N ATOM 2 CA LYS A 1 1.419 -10.592 0.666 1.00 0.00 C ATOM 3 C LYS A 1 1.308 -10.399 2.191 1.00 0.00 C ATOM 4 O LYS A 1 0.516 -9.621 2.688 1.00 0.00 O ATOM 5 CB LYS A 1 2.789 -9.989 0.274 1.00 0.00 C ATOM 6 CG LYS A 1 3.183 -10.173 -1.210 1.00 0.00 C ATOM 7 CD LYS A 1 2.350 -9.274 -2.156 1.00 0.00 C ATOM 8 CE LYS A 1 3.204 -8.916 -3.397 1.00 0.00 C ATOM 9 NZ LYS A 1 3.688 -10.144 -4.096 1.00 0.00 N ATOM 0 H1 LYS A 1 0.098 -10.425 -0.940 1.00 0.00 H new ATOM 0 H2 LYS A 1 -0.575 -9.989 0.557 1.00 0.00 H new ATOM 0 H3 LYS A 1 0.508 -8.940 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 1 1.366 -11.641 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 1 2.779 -8.923 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.560 -10.441 0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.241 -9.944 -1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 1 3.048 -11.217 -1.493 1.00 0.00 H new ATOM 0 HD2 LYS A 1 1.441 -9.791 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 1 2.042 -8.366 -1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 1 2.613 -8.312 -4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 1 4.056 -8.309 -3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.094 -9.882 -5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.415 -10.610 -3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 2.892 -10.797 -4.242 1.00 0.00 H new ATOM 25 N THR A 2 2.142 -11.141 2.872 1.00 0.00 N ATOM 26 CA THR A 2 2.227 -11.115 4.364 1.00 0.00 C ATOM 27 C THR A 2 3.698 -10.719 4.595 1.00 0.00 C ATOM 28 O THR A 2 4.453 -11.371 5.290 1.00 0.00 O ATOM 29 CB THR A 2 1.865 -12.545 4.890 1.00 0.00 C ATOM 30 OG1 THR A 2 2.134 -12.553 6.286 1.00 0.00 O ATOM 31 CG2 THR A 2 2.747 -13.652 4.265 1.00 0.00 C ATOM 0 H THR A 2 2.795 -11.791 2.435 1.00 0.00 H new ATOM 0 HA THR A 2 1.552 -10.434 4.882 1.00 0.00 H new ATOM 0 HB THR A 2 0.824 -12.747 4.636 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.061 -12.278 6.442 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.452 -14.622 4.666 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.618 -13.652 3.183 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.793 -13.463 4.506 1.00 0.00 H new ATOM 39 N GLY A 3 4.036 -9.617 3.970 1.00 0.00 N ATOM 40 CA GLY A 3 5.411 -9.043 4.037 1.00 0.00 C ATOM 41 C GLY A 3 5.936 -9.050 2.598 1.00 0.00 C ATOM 42 O GLY A 3 6.488 -10.043 2.165 1.00 0.00 O ATOM 0 H GLY A 3 3.389 -9.075 3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 3 5.393 -8.031 4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.051 -9.636 4.690 1.00 0.00 H new ATOM 46 N GLY A 4 5.758 -7.960 1.891 1.00 0.00 N ATOM 47 CA GLY A 4 6.236 -7.887 0.474 1.00 0.00 C ATOM 48 C GLY A 4 7.549 -7.117 0.395 1.00 0.00 C ATOM 49 O GLY A 4 8.549 -7.607 -0.092 1.00 0.00 O ATOM 0 H GLY A 4 5.301 -7.116 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.373 -8.893 0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.483 -7.400 -0.146 1.00 0.00 H new ATOM 53 N THR A 5 7.469 -5.920 0.896 1.00 0.00 N ATOM 54 CA THR A 5 8.625 -4.977 0.932 1.00 0.00 C ATOM 55 C THR A 5 8.838 -4.451 2.349 1.00 0.00 C ATOM 56 O THR A 5 9.945 -4.401 2.847 1.00 0.00 O ATOM 57 CB THR A 5 8.351 -3.799 -0.030 1.00 0.00 C ATOM 58 OG1 THR A 5 7.047 -3.298 0.268 1.00 0.00 O ATOM 59 CG2 THR A 5 8.300 -4.278 -1.494 1.00 0.00 C ATOM 0 H THR A 5 6.614 -5.538 1.300 1.00 0.00 H new ATOM 0 HA THR A 5 9.526 -5.504 0.619 1.00 0.00 H new ATOM 0 HB THR A 5 9.140 -3.057 0.092 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.055 -2.319 0.224 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.106 -3.428 -2.148 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.254 -4.732 -1.762 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.504 -5.014 -1.609 1.00 0.00 H new ATOM 67 N GLN A 6 7.724 -4.082 2.930 1.00 0.00 N ATOM 68 CA GLN A 6 7.628 -3.523 4.311 1.00 0.00 C ATOM 69 C GLN A 6 8.307 -2.160 4.363 1.00 0.00 C ATOM 70 O GLN A 6 9.516 -2.018 4.377 1.00 0.00 O ATOM 71 CB GLN A 6 8.283 -4.496 5.322 1.00 0.00 C ATOM 72 CG GLN A 6 7.573 -5.863 5.243 1.00 0.00 C ATOM 73 CD GLN A 6 6.088 -5.784 5.621 1.00 0.00 C ATOM 74 OE1 GLN A 6 5.283 -5.213 4.916 1.00 0.00 O ATOM 75 NE2 GLN A 6 5.685 -6.347 6.728 1.00 0.00 N ATOM 0 H GLN A 6 6.818 -4.153 2.467 1.00 0.00 H new ATOM 0 HA GLN A 6 6.578 -3.401 4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 6 9.344 -4.610 5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 6 8.211 -4.093 6.332 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.665 -6.257 4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.075 -6.567 5.906 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.354 -6.830 7.328 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.701 -6.304 6.993 1.00 0.00 H new ATOM 84 N THR A 7 7.424 -1.204 4.383 1.00 0.00 N ATOM 85 CA THR A 7 7.748 0.242 4.425 1.00 0.00 C ATOM 86 C THR A 7 7.012 0.946 5.588 1.00 0.00 C ATOM 87 O THR A 7 6.033 0.450 6.117 1.00 0.00 O ATOM 88 CB THR A 7 7.338 0.806 3.048 1.00 0.00 C ATOM 89 OG1 THR A 7 7.594 2.196 3.095 1.00 0.00 O ATOM 90 CG2 THR A 7 5.803 0.711 2.830 1.00 0.00 C ATOM 0 H THR A 7 6.421 -1.387 4.371 1.00 0.00 H new ATOM 0 HA THR A 7 8.808 0.413 4.611 1.00 0.00 H new ATOM 0 HB THR A 7 7.873 0.257 2.273 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.436 2.389 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.549 1.117 1.851 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.492 -0.332 2.882 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.290 1.282 3.604 1.00 0.00 H new ATOM 98 N ASP A 8 7.545 2.098 5.910 1.00 0.00 N ATOM 99 CA ASP A 8 7.001 2.969 7.009 1.00 0.00 C ATOM 100 C ASP A 8 6.705 4.308 6.307 1.00 0.00 C ATOM 101 O ASP A 8 7.215 5.356 6.648 1.00 0.00 O ATOM 102 CB ASP A 8 8.080 3.146 8.145 1.00 0.00 C ATOM 103 CG ASP A 8 7.407 3.672 9.431 1.00 0.00 C ATOM 104 OD1 ASP A 8 6.862 4.764 9.378 1.00 0.00 O ATOM 105 OD2 ASP A 8 7.474 2.947 10.411 1.00 0.00 O ATOM 0 H ASP A 8 8.363 2.487 5.442 1.00 0.00 H new ATOM 0 HA ASP A 8 6.117 2.552 7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.571 2.193 8.344 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.854 3.841 7.819 1.00 0.00 H new ATOM 110 N LEU A 9 5.856 4.188 5.318 1.00 0.00 N ATOM 111 CA LEU A 9 5.406 5.338 4.469 1.00 0.00 C ATOM 112 C LEU A 9 3.915 5.627 4.620 1.00 0.00 C ATOM 113 O LEU A 9 3.491 6.767 4.579 1.00 0.00 O ATOM 114 CB LEU A 9 5.691 5.023 2.964 1.00 0.00 C ATOM 115 CG LEU A 9 7.028 5.569 2.404 1.00 0.00 C ATOM 116 CD1 LEU A 9 8.236 5.288 3.326 1.00 0.00 C ATOM 117 CD2 LEU A 9 7.247 4.834 1.041 1.00 0.00 C ATOM 0 H LEU A 9 5.436 3.297 5.052 1.00 0.00 H new ATOM 0 HA LEU A 9 5.962 6.214 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.677 3.941 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.875 5.429 2.366 1.00 0.00 H new ATOM 0 HG LEU A 9 6.965 6.653 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.141 5.696 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.070 5.757 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.350 4.212 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.179 5.175 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.298 3.759 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.417 5.056 0.371 1.00 0.00 H new ATOM 129 N PHE A 10 3.178 4.563 4.792 1.00 0.00 N ATOM 130 CA PHE A 10 1.695 4.639 4.936 1.00 0.00 C ATOM 131 C PHE A 10 1.127 4.006 6.197 1.00 0.00 C ATOM 132 O PHE A 10 1.691 3.080 6.751 1.00 0.00 O ATOM 133 CB PHE A 10 1.184 3.991 3.678 1.00 0.00 C ATOM 134 CG PHE A 10 1.699 4.804 2.480 1.00 0.00 C ATOM 135 CD1 PHE A 10 1.346 6.134 2.334 1.00 0.00 C ATOM 136 CD2 PHE A 10 2.538 4.219 1.552 1.00 0.00 C ATOM 137 CE1 PHE A 10 1.829 6.869 1.278 1.00 0.00 C ATOM 138 CE2 PHE A 10 3.024 4.954 0.494 1.00 0.00 C ATOM 139 CZ PHE A 10 2.669 6.282 0.358 1.00 0.00 C ATOM 0 H PHE A 10 3.554 3.616 4.840 1.00 0.00 H new ATOM 0 HA PHE A 10 1.371 5.673 5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.529 2.959 3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.094 3.964 3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.687 6.597 3.054 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.814 3.180 1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.550 7.907 1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.682 4.493 -0.228 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.050 6.860 -0.470 1.00 0.00 H new ATOM 149 N THR A 11 0.002 4.545 6.593 1.00 0.00 N ATOM 150 CA THR A 11 -0.703 4.054 7.801 1.00 0.00 C ATOM 151 C THR A 11 -1.852 3.174 7.360 1.00 0.00 C ATOM 152 O THR A 11 -2.446 3.346 6.313 1.00 0.00 O ATOM 153 CB THR A 11 -1.243 5.274 8.637 1.00 0.00 C ATOM 154 OG1 THR A 11 -0.326 5.378 9.714 1.00 0.00 O ATOM 155 CG2 THR A 11 -2.626 5.057 9.319 1.00 0.00 C ATOM 0 H THR A 11 -0.461 5.319 6.117 1.00 0.00 H new ATOM 0 HA THR A 11 -0.019 3.482 8.429 1.00 0.00 H new ATOM 0 HB THR A 11 -1.346 6.125 7.963 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.595 4.768 10.433 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.906 5.956 9.869 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.378 4.848 8.558 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.564 4.215 10.008 1.00 0.00 H new ATOM 163 N CYS A 12 -2.106 2.254 8.240 1.00 0.00 N ATOM 164 CA CYS A 12 -3.187 1.274 8.048 1.00 0.00 C ATOM 165 C CYS A 12 -4.395 1.945 8.684 1.00 0.00 C ATOM 166 O CYS A 12 -4.320 2.485 9.772 1.00 0.00 O ATOM 167 CB CYS A 12 -2.896 0.025 8.791 1.00 0.00 C ATOM 168 SG CYS A 12 -4.316 -1.083 8.821 1.00 0.00 S ATOM 0 H CYS A 12 -1.588 2.143 9.111 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.324 1.010 6.999 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.049 -0.483 8.330 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.604 0.269 9.812 1.00 0.00 H new ATOM 173 N GLY A 13 -5.475 1.871 7.971 1.00 0.00 N ATOM 174 CA GLY A 13 -6.742 2.483 8.454 1.00 0.00 C ATOM 175 C GLY A 13 -7.534 1.521 9.341 1.00 0.00 C ATOM 176 O GLY A 13 -8.749 1.535 9.338 1.00 0.00 O ATOM 0 H GLY A 13 -5.539 1.409 7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.517 3.391 9.013 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.353 2.777 7.600 1.00 0.00 H new ATOM 180 N LYS A 14 -6.805 0.704 10.061 1.00 0.00 N ATOM 181 CA LYS A 14 -7.413 -0.290 10.986 1.00 0.00 C ATOM 182 C LYS A 14 -6.701 -0.391 12.346 1.00 0.00 C ATOM 183 O LYS A 14 -7.355 -0.275 13.365 1.00 0.00 O ATOM 184 CB LYS A 14 -7.425 -1.683 10.318 1.00 0.00 C ATOM 185 CG LYS A 14 -8.492 -1.723 9.180 1.00 0.00 C ATOM 186 CD LYS A 14 -9.901 -1.544 9.788 1.00 0.00 C ATOM 187 CE LYS A 14 -10.980 -1.632 8.686 1.00 0.00 C ATOM 188 NZ LYS A 14 -10.902 -0.407 7.840 1.00 0.00 N ATOM 0 H LYS A 14 -5.785 0.688 10.042 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.426 0.061 11.185 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.439 -1.908 9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.646 -2.449 11.061 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.295 -0.934 8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.433 -2.671 8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.079 -2.311 10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.966 -0.580 10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.825 -2.522 8.076 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.970 -1.720 9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.837 0.046 7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.214 0.256 8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.600 -0.667 6.879 1.00 0.00 H new ATOM 202 N CYS A 15 -5.402 -0.599 12.340 1.00 0.00 N ATOM 203 CA CYS A 15 -4.648 -0.713 13.638 1.00 0.00 C ATOM 204 C CYS A 15 -3.736 0.479 13.991 1.00 0.00 C ATOM 205 O CYS A 15 -2.987 0.427 14.945 1.00 0.00 O ATOM 206 CB CYS A 15 -3.873 -2.042 13.536 1.00 0.00 C ATOM 207 SG CYS A 15 -3.046 -2.489 11.989 1.00 0.00 S ATOM 0 H CYS A 15 -4.833 -0.694 11.499 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.353 -0.697 14.469 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.115 -2.037 14.319 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.572 -2.844 13.774 1.00 0.00 H new ATOM 212 N LYS A 16 -3.857 1.497 13.179 1.00 0.00 N ATOM 213 CA LYS A 16 -3.128 2.814 13.255 1.00 0.00 C ATOM 214 C LYS A 16 -1.697 2.700 12.727 1.00 0.00 C ATOM 215 O LYS A 16 -1.309 3.475 11.873 1.00 0.00 O ATOM 216 CB LYS A 16 -3.168 3.353 14.763 1.00 0.00 C ATOM 217 CG LYS A 16 -4.354 4.336 14.962 1.00 0.00 C ATOM 218 CD LYS A 16 -4.357 4.780 16.458 1.00 0.00 C ATOM 219 CE LYS A 16 -5.514 5.755 16.761 1.00 0.00 C ATOM 220 NZ LYS A 16 -6.833 5.102 16.523 1.00 0.00 N ATOM 0 H LYS A 16 -4.497 1.464 12.386 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.631 3.535 12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.265 2.514 15.452 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.230 3.854 15.001 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.248 5.201 14.307 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.297 3.854 14.704 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.444 3.902 17.098 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.407 5.257 16.698 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.451 6.091 17.796 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.423 6.641 16.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.591 5.702 16.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.977 4.972 15.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.852 4.176 16.996 1.00 0.00 H new ATOM 234 N LYS A 17 -0.974 1.755 13.268 1.00 0.00 N ATOM 235 CA LYS A 17 0.426 1.436 12.922 1.00 0.00 C ATOM 236 C LYS A 17 0.897 1.738 11.493 1.00 0.00 C ATOM 237 O LYS A 17 0.135 1.923 10.560 1.00 0.00 O ATOM 238 CB LYS A 17 0.639 -0.060 13.229 1.00 0.00 C ATOM 239 CG LYS A 17 -0.317 -1.019 12.416 1.00 0.00 C ATOM 240 CD LYS A 17 0.415 -2.320 12.111 1.00 0.00 C ATOM 241 CE LYS A 17 0.739 -3.058 13.436 1.00 0.00 C ATOM 242 NZ LYS A 17 1.506 -4.301 13.161 1.00 0.00 N ATOM 0 H LYS A 17 -1.343 1.146 13.998 1.00 0.00 H new ATOM 0 HA LYS A 17 1.034 2.111 13.524 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.674 -0.323 13.010 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.486 -0.228 14.295 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.221 -1.223 12.990 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.630 -0.539 11.489 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.200 -2.953 11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.335 -2.112 11.565 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.315 -2.405 14.092 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.185 -3.302 13.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.215 -4.444 13.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.856 -5.113 13.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.985 -4.217 12.242 1.00 0.00 H new ATOM 256 N LYS A 18 2.196 1.745 11.420 1.00 0.00 N ATOM 257 CA LYS A 18 2.915 2.024 10.139 1.00 0.00 C ATOM 258 C LYS A 18 3.730 0.826 9.604 1.00 0.00 C ATOM 259 O LYS A 18 4.887 0.971 9.254 1.00 0.00 O ATOM 260 CB LYS A 18 3.824 3.284 10.396 1.00 0.00 C ATOM 261 CG LYS A 18 2.916 4.489 10.791 1.00 0.00 C ATOM 262 CD LYS A 18 3.679 5.835 10.837 1.00 0.00 C ATOM 263 CE LYS A 18 4.599 5.953 12.067 1.00 0.00 C ATOM 264 NZ LYS A 18 5.044 7.371 12.226 1.00 0.00 N ATOM 0 H LYS A 18 2.810 1.564 12.214 1.00 0.00 H new ATOM 0 HA LYS A 18 2.185 2.214 9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.541 3.076 11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.399 3.523 9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.096 4.567 10.077 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.472 4.297 11.768 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.275 5.942 9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.961 6.655 10.845 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.070 5.625 12.962 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.464 5.301 11.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.665 7.449 13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.564 7.669 11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.213 7.983 12.356 1.00 0.00 H new ATOM 278 N ASN A 19 3.088 -0.323 9.556 1.00 0.00 N ATOM 279 CA ASN A 19 3.742 -1.585 9.048 1.00 0.00 C ATOM 280 C ASN A 19 2.882 -2.092 7.895 1.00 0.00 C ATOM 281 O ASN A 19 2.028 -2.949 8.028 1.00 0.00 O ATOM 282 CB ASN A 19 3.784 -2.668 10.107 1.00 0.00 C ATOM 283 CG ASN A 19 4.676 -3.826 9.613 1.00 0.00 C ATOM 284 OD1 ASN A 19 4.127 -4.888 9.091 1.00 0.00 O flip ATOM 285 ND2 ASN A 19 5.887 -3.774 9.687 1.00 0.00 N flip ATOM 0 H ASN A 19 2.120 -0.444 9.853 1.00 0.00 H new ATOM 0 HA ASN A 19 4.767 -1.362 8.753 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.175 -2.265 11.041 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.777 -3.031 10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.338 -2.954 10.091 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.453 -4.551 9.345 1.00 0.00 H new ATOM 292 N CYS A 20 3.174 -1.502 6.777 1.00 0.00 N ATOM 293 CA CYS A 20 2.456 -1.833 5.516 1.00 0.00 C ATOM 294 C CYS A 20 3.515 -2.101 4.445 1.00 0.00 C ATOM 295 O CYS A 20 4.680 -1.832 4.627 1.00 0.00 O ATOM 296 CB CYS A 20 1.573 -0.622 5.173 1.00 0.00 C ATOM 297 SG CYS A 20 0.630 0.053 6.565 1.00 0.00 S ATOM 0 H CYS A 20 3.896 -0.788 6.679 1.00 0.00 H new ATOM 0 HA CYS A 20 1.821 -2.716 5.596 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.205 0.166 4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.876 -0.910 4.386 1.00 0.00 H new ATOM 0 HG CYS A 20 -0.445 0.633 6.120 1.00 0.00 H new ATOM 303 N THR A 21 3.058 -2.626 3.353 1.00 0.00 N ATOM 304 CA THR A 21 3.914 -2.968 2.173 1.00 0.00 C ATOM 305 C THR A 21 3.302 -2.147 1.037 1.00 0.00 C ATOM 306 O THR A 21 2.107 -1.927 1.067 1.00 0.00 O ATOM 307 CB THR A 21 3.801 -4.486 1.889 1.00 0.00 C ATOM 308 OG1 THR A 21 5.064 -5.003 2.257 1.00 0.00 O ATOM 309 CG2 THR A 21 3.674 -4.881 0.405 1.00 0.00 C ATOM 0 H THR A 21 2.072 -2.847 3.216 1.00 0.00 H new ATOM 0 HA THR A 21 4.973 -2.750 2.313 1.00 0.00 H new ATOM 0 HB THR A 21 2.914 -4.845 2.410 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.009 -5.394 3.154 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.602 -5.965 0.322 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.779 -4.424 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.551 -4.533 -0.140 1.00 0.00 H new ATOM 317 N TYR A 22 4.093 -1.725 0.080 1.00 0.00 N ATOM 318 CA TYR A 22 3.483 -0.924 -1.028 1.00 0.00 C ATOM 319 C TYR A 22 3.974 -1.359 -2.409 1.00 0.00 C ATOM 320 O TYR A 22 5.018 -1.967 -2.558 1.00 0.00 O ATOM 321 CB TYR A 22 3.772 0.609 -0.754 1.00 0.00 C ATOM 322 CG TYR A 22 5.172 1.173 -1.110 1.00 0.00 C ATOM 323 CD1 TYR A 22 6.360 0.543 -0.798 1.00 0.00 C ATOM 324 CD2 TYR A 22 5.242 2.392 -1.758 1.00 0.00 C ATOM 325 CE1 TYR A 22 7.579 1.104 -1.118 1.00 0.00 C ATOM 326 CE2 TYR A 22 6.457 2.955 -2.082 1.00 0.00 C ATOM 327 CZ TYR A 22 7.636 2.314 -1.764 1.00 0.00 C ATOM 328 OH TYR A 22 8.854 2.877 -2.087 1.00 0.00 O ATOM 0 H TYR A 22 5.097 -1.892 0.016 1.00 0.00 H new ATOM 0 HA TYR A 22 2.407 -1.099 -1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.031 1.189 -1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.600 0.795 0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.335 -0.411 -0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.330 2.911 -2.014 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.492 0.589 -0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.486 3.908 -2.590 1.00 0.00 H new ATOM 0 HH TYR A 22 8.708 3.733 -2.542 1.00 0.00 H new ATOM 338 N THR A 23 3.160 -1.008 -3.369 1.00 0.00 N ATOM 339 CA THR A 23 3.418 -1.320 -4.800 1.00 0.00 C ATOM 340 C THR A 23 3.520 -0.006 -5.576 1.00 0.00 C ATOM 341 O THR A 23 2.696 0.877 -5.450 1.00 0.00 O ATOM 342 CB THR A 23 2.251 -2.186 -5.350 1.00 0.00 C ATOM 343 OG1 THR A 23 2.264 -3.374 -4.567 1.00 0.00 O ATOM 344 CG2 THR A 23 2.525 -2.678 -6.781 1.00 0.00 C ATOM 0 H THR A 23 2.292 -0.497 -3.209 1.00 0.00 H new ATOM 0 HA THR A 23 4.349 -1.875 -4.910 1.00 0.00 H new ATOM 0 HB THR A 23 1.332 -1.601 -5.324 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.544 -3.969 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.684 -3.279 -7.126 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.654 -1.821 -7.442 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.432 -3.283 -6.790 1.00 0.00 H new ATOM 352 N GLN A 24 4.563 0.019 -6.352 1.00 0.00 N ATOM 353 CA GLN A 24 4.946 1.156 -7.238 1.00 0.00 C ATOM 354 C GLN A 24 4.882 0.398 -8.560 1.00 0.00 C ATOM 355 O GLN A 24 5.720 -0.455 -8.790 1.00 0.00 O ATOM 356 CB GLN A 24 6.369 1.589 -6.778 1.00 0.00 C ATOM 357 CG GLN A 24 6.269 2.037 -5.285 1.00 0.00 C ATOM 358 CD GLN A 24 5.635 3.434 -5.268 1.00 0.00 C ATOM 359 OE1 GLN A 24 6.299 4.434 -5.441 1.00 0.00 O ATOM 360 NE2 GLN A 24 4.353 3.537 -5.073 1.00 0.00 N ATOM 0 H GLN A 24 5.214 -0.764 -6.411 1.00 0.00 H new ATOM 0 HA GLN A 24 4.367 2.079 -7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.073 0.763 -6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.740 2.405 -7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.664 1.334 -4.713 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.256 2.058 -4.823 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.790 2.699 -4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.910 4.456 -5.066 1.00 0.00 H new ATOM 369 N VAL A 25 3.916 0.705 -9.392 1.00 0.00 N ATOM 370 CA VAL A 25 3.808 -0.035 -10.686 1.00 0.00 C ATOM 371 C VAL A 25 3.966 0.842 -11.929 1.00 0.00 C ATOM 372 O VAL A 25 4.191 2.035 -11.880 1.00 0.00 O ATOM 373 CB VAL A 25 2.413 -0.746 -10.613 1.00 0.00 C ATOM 374 CG1 VAL A 25 1.286 0.277 -10.893 1.00 0.00 C ATOM 375 CG2 VAL A 25 2.270 -2.009 -11.504 1.00 0.00 C ATOM 0 H VAL A 25 3.209 1.424 -9.235 1.00 0.00 H new ATOM 0 HA VAL A 25 4.630 -0.742 -10.801 1.00 0.00 H new ATOM 0 HB VAL A 25 2.325 -1.128 -9.596 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.319 -0.223 -10.841 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.324 1.072 -10.149 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.421 0.704 -11.887 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.271 -2.428 -11.384 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.426 -1.737 -12.548 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.012 -2.750 -11.207 1.00 0.00 H new ATOM 385 N GLN A 26 3.826 0.131 -13.009 1.00 0.00 N ATOM 386 CA GLN A 26 3.904 0.637 -14.393 1.00 0.00 C ATOM 387 C GLN A 26 2.415 0.578 -14.750 1.00 0.00 C ATOM 388 O GLN A 26 1.690 -0.236 -14.201 1.00 0.00 O ATOM 389 CB GLN A 26 4.766 -0.344 -15.228 1.00 0.00 C ATOM 390 CG GLN A 26 4.150 -1.785 -15.304 1.00 0.00 C ATOM 391 CD GLN A 26 3.037 -1.878 -16.372 1.00 0.00 C ATOM 392 OE1 GLN A 26 3.233 -1.471 -17.499 1.00 0.00 O ATOM 393 NE2 GLN A 26 1.865 -2.399 -16.107 1.00 0.00 N ATOM 0 H GLN A 26 3.644 -0.872 -12.972 1.00 0.00 H new ATOM 0 HA GLN A 26 4.356 1.616 -14.553 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.881 0.050 -16.238 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.764 -0.403 -14.793 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.936 -2.504 -15.534 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.743 -2.058 -14.330 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.663 -2.752 -15.171 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.154 -2.452 -16.836 1.00 0.00 H new ATOM 402 N THR A 27 1.977 1.415 -15.648 1.00 0.00 N ATOM 403 CA THR A 27 0.521 1.373 -15.988 1.00 0.00 C ATOM 404 C THR A 27 -0.034 1.251 -17.408 1.00 0.00 C ATOM 405 O THR A 27 -0.236 0.146 -17.875 1.00 0.00 O ATOM 406 CB THR A 27 -0.126 2.618 -15.317 1.00 0.00 C ATOM 407 OG1 THR A 27 0.701 3.725 -15.669 1.00 0.00 O ATOM 408 CG2 THR A 27 -0.079 2.519 -13.779 1.00 0.00 C ATOM 0 H THR A 27 2.538 2.105 -16.148 1.00 0.00 H new ATOM 0 HA THR A 27 0.262 0.377 -15.629 1.00 0.00 H new ATOM 0 HB THR A 27 -1.163 2.707 -15.640 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.547 3.671 -15.177 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.540 3.406 -13.343 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.622 1.631 -13.455 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.958 2.450 -13.450 1.00 0.00 H new ATOM 416 N ARG A 28 -0.262 2.386 -18.031 1.00 0.00 N ATOM 417 CA ARG A 28 -0.824 2.512 -19.415 1.00 0.00 C ATOM 418 C ARG A 28 -2.261 2.198 -18.972 1.00 0.00 C ATOM 419 O ARG A 28 -3.046 3.086 -18.697 1.00 0.00 O ATOM 420 CB ARG A 28 -0.232 1.430 -20.410 1.00 0.00 C ATOM 421 CG ARG A 28 1.301 1.363 -20.279 1.00 0.00 C ATOM 422 CD ARG A 28 1.877 0.599 -21.469 1.00 0.00 C ATOM 423 NE ARG A 28 3.080 -0.161 -21.017 1.00 0.00 N ATOM 424 CZ ARG A 28 3.162 -1.439 -21.283 1.00 0.00 C ATOM 425 NH1 ARG A 28 3.064 -1.825 -22.527 1.00 0.00 N ATOM 426 NH2 ARG A 28 3.340 -2.285 -20.310 1.00 0.00 N ATOM 0 H ARG A 28 -0.066 3.290 -17.601 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.647 3.434 -19.969 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.665 0.453 -20.195 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.505 1.681 -21.435 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.718 2.369 -20.242 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.576 0.869 -19.347 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.131 -0.083 -21.876 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.146 1.291 -22.267 1.00 0.00 H new ATOM 0 HE ARG A 28 3.828 0.310 -20.508 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.927 -1.135 -23.266 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.125 -2.816 -22.760 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.414 -1.949 -19.350 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.405 -3.284 -20.508 1.00 0.00 H new ATOM 440 N SER A 29 -2.540 0.925 -18.919 1.00 0.00 N ATOM 441 CA SER A 29 -3.828 0.379 -18.499 1.00 0.00 C ATOM 442 C SER A 29 -3.581 -0.903 -17.671 1.00 0.00 C ATOM 443 O SER A 29 -3.996 -1.987 -18.030 1.00 0.00 O ATOM 444 CB SER A 29 -4.594 0.117 -19.729 1.00 0.00 C ATOM 445 OG SER A 29 -3.750 -0.610 -20.614 1.00 0.00 O ATOM 0 H SER A 29 -1.864 0.205 -19.173 1.00 0.00 H new ATOM 0 HA SER A 29 -4.391 1.063 -17.865 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.496 -0.453 -19.505 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.914 1.053 -20.187 1.00 0.00 H new ATOM 0 HG SER A 29 -4.234 -0.802 -21.444 1.00 0.00 H new ATOM 451 N ALA A 30 -2.898 -0.722 -16.568 1.00 0.00 N ATOM 452 CA ALA A 30 -2.568 -1.856 -15.637 1.00 0.00 C ATOM 453 C ALA A 30 -3.569 -1.553 -14.534 1.00 0.00 C ATOM 454 O ALA A 30 -4.406 -2.344 -14.146 1.00 0.00 O ATOM 455 CB ALA A 30 -1.144 -1.722 -15.119 1.00 0.00 C ATOM 0 H ALA A 30 -2.545 0.185 -16.263 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.624 -2.856 -16.066 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.922 -2.551 -14.447 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.448 -1.739 -15.958 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.040 -0.780 -14.580 1.00 0.00 H new ATOM 461 N ASP A 31 -3.382 -0.341 -14.094 1.00 0.00 N ATOM 462 CA ASP A 31 -4.170 0.313 -13.026 1.00 0.00 C ATOM 463 C ASP A 31 -4.245 1.798 -13.442 1.00 0.00 C ATOM 464 O ASP A 31 -4.732 2.626 -12.700 1.00 0.00 O ATOM 465 CB ASP A 31 -3.449 0.208 -11.728 1.00 0.00 C ATOM 466 CG ASP A 31 -3.174 -1.260 -11.356 1.00 0.00 C ATOM 467 OD1 ASP A 31 -2.198 -1.785 -11.869 1.00 0.00 O ATOM 468 OD2 ASP A 31 -3.962 -1.773 -10.579 1.00 0.00 O ATOM 0 H ASP A 31 -2.652 0.264 -14.469 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.153 -0.143 -12.905 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.507 0.752 -11.788 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.040 0.680 -10.943 1.00 0.00 H new ATOM 473 N GLU A 32 -3.744 2.053 -14.634 1.00 0.00 N ATOM 474 CA GLU A 32 -3.668 3.365 -15.293 1.00 0.00 C ATOM 475 C GLU A 32 -2.869 4.438 -14.496 1.00 0.00 C ATOM 476 O GLU A 32 -2.880 4.469 -13.280 1.00 0.00 O ATOM 477 CB GLU A 32 -5.144 3.723 -15.578 1.00 0.00 C ATOM 478 CG GLU A 32 -5.721 4.831 -14.670 1.00 0.00 C ATOM 479 CD GLU A 32 -7.244 4.920 -14.879 1.00 0.00 C ATOM 480 OE1 GLU A 32 -7.891 3.929 -14.579 1.00 0.00 O ATOM 481 OE2 GLU A 32 -7.678 5.970 -15.325 1.00 0.00 O ATOM 0 H GLU A 32 -3.352 1.311 -15.214 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.083 3.331 -16.212 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.234 4.039 -16.617 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.751 2.825 -15.464 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.498 4.614 -13.625 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.254 5.788 -14.903 1.00 0.00 H new ATOM 488 N PRO A 33 -2.199 5.283 -15.253 1.00 0.00 N ATOM 489 CA PRO A 33 -1.051 6.140 -14.861 1.00 0.00 C ATOM 490 C PRO A 33 -0.537 6.175 -13.412 1.00 0.00 C ATOM 491 O PRO A 33 -1.093 6.824 -12.551 1.00 0.00 O ATOM 492 CB PRO A 33 -1.521 7.472 -15.424 1.00 0.00 C ATOM 493 CG PRO A 33 -2.069 7.042 -16.840 1.00 0.00 C ATOM 494 CD PRO A 33 -2.519 5.551 -16.676 1.00 0.00 C ATOM 0 HA PRO A 33 -0.115 5.737 -15.247 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.295 7.928 -14.806 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.708 8.194 -15.501 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.903 7.673 -17.147 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.299 7.138 -17.605 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.581 5.420 -16.886 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.977 4.886 -17.348 1.00 0.00 H new ATOM 502 N MET A 34 0.537 5.424 -13.283 1.00 0.00 N ATOM 503 CA MET A 34 1.369 5.171 -12.051 1.00 0.00 C ATOM 504 C MET A 34 0.795 5.693 -10.727 1.00 0.00 C ATOM 505 O MET A 34 0.534 6.871 -10.577 1.00 0.00 O ATOM 506 CB MET A 34 2.753 5.790 -12.335 1.00 0.00 C ATOM 507 CG MET A 34 3.779 5.458 -11.231 1.00 0.00 C ATOM 508 SD MET A 34 5.489 5.975 -11.529 1.00 0.00 S ATOM 509 CE MET A 34 5.233 7.762 -11.657 1.00 0.00 C ATOM 0 H MET A 34 0.909 4.917 -14.086 1.00 0.00 H new ATOM 0 HA MET A 34 1.403 4.094 -11.887 1.00 0.00 H new ATOM 0 HB2 MET A 34 3.122 5.425 -13.293 1.00 0.00 H new ATOM 0 HB3 MET A 34 2.654 6.872 -12.423 1.00 0.00 H new ATOM 0 HG2 MET A 34 3.441 5.918 -10.303 1.00 0.00 H new ATOM 0 HG3 MET A 34 3.772 4.380 -11.073 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.198 8.268 -11.664 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.698 7.988 -12.580 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.648 8.108 -10.805 1.00 0.00 H new ATOM 519 N THR A 35 0.628 4.779 -9.801 1.00 0.00 N ATOM 520 CA THR A 35 0.068 5.162 -8.464 1.00 0.00 C ATOM 521 C THR A 35 0.840 4.442 -7.353 1.00 0.00 C ATOM 522 O THR A 35 1.733 3.652 -7.600 1.00 0.00 O ATOM 523 CB THR A 35 -1.432 4.767 -8.428 1.00 0.00 C ATOM 524 OG1 THR A 35 -1.963 5.163 -9.685 1.00 0.00 O ATOM 525 CG2 THR A 35 -2.291 5.579 -7.434 1.00 0.00 C ATOM 0 H THR A 35 0.853 3.790 -9.911 1.00 0.00 H new ATOM 0 HA THR A 35 0.166 6.236 -8.307 1.00 0.00 H new ATOM 0 HB THR A 35 -1.469 3.710 -8.164 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.916 4.936 -9.724 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.324 5.233 -7.479 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.906 5.442 -6.424 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.251 6.636 -7.697 1.00 0.00 H new ATOM 533 N THR A 36 0.443 4.760 -6.150 1.00 0.00 N ATOM 534 CA THR A 36 1.045 4.179 -4.921 1.00 0.00 C ATOM 535 C THR A 36 -0.087 3.393 -4.252 1.00 0.00 C ATOM 536 O THR A 36 -1.005 3.989 -3.721 1.00 0.00 O ATOM 537 CB THR A 36 1.511 5.317 -4.009 1.00 0.00 C ATOM 538 OG1 THR A 36 2.533 5.997 -4.726 1.00 0.00 O ATOM 539 CG2 THR A 36 2.167 4.803 -2.726 1.00 0.00 C ATOM 0 H THR A 36 -0.306 5.427 -5.966 1.00 0.00 H new ATOM 0 HA THR A 36 1.905 3.543 -5.132 1.00 0.00 H new ATOM 0 HB THR A 36 0.650 5.930 -3.742 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.313 6.950 -4.784 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.480 5.649 -2.113 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.452 4.197 -2.170 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.037 4.197 -2.980 1.00 0.00 H new ATOM 547 N PHE A 37 0.008 2.092 -4.303 1.00 0.00 N ATOM 548 CA PHE A 37 -1.007 1.200 -3.698 1.00 0.00 C ATOM 549 C PHE A 37 -0.361 0.692 -2.406 1.00 0.00 C ATOM 550 O PHE A 37 0.809 0.371 -2.432 1.00 0.00 O ATOM 551 CB PHE A 37 -1.242 0.055 -4.639 1.00 0.00 C ATOM 552 CG PHE A 37 -1.705 0.492 -6.041 1.00 0.00 C ATOM 553 CD1 PHE A 37 -2.779 1.344 -6.226 1.00 0.00 C ATOM 554 CD2 PHE A 37 -1.045 0.000 -7.149 1.00 0.00 C ATOM 555 CE1 PHE A 37 -3.186 1.694 -7.498 1.00 0.00 C ATOM 556 CE2 PHE A 37 -1.450 0.350 -8.418 1.00 0.00 C ATOM 557 CZ PHE A 37 -2.519 1.193 -8.595 1.00 0.00 C ATOM 0 H PHE A 37 0.777 1.600 -4.757 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.960 1.693 -3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.322 -0.521 -4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.992 -0.609 -4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.303 1.739 -5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.204 -0.665 -7.020 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.026 2.359 -7.633 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.925 -0.040 -9.277 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.836 1.463 -9.591 1.00 0.00 H new ATOM 567 N VAL A 38 -1.100 0.622 -1.329 1.00 0.00 N ATOM 568 CA VAL A 38 -0.498 0.135 -0.052 1.00 0.00 C ATOM 569 C VAL A 38 -1.439 -0.862 0.634 1.00 0.00 C ATOM 570 O VAL A 38 -2.640 -0.671 0.643 1.00 0.00 O ATOM 571 CB VAL A 38 -0.271 1.324 0.873 1.00 0.00 C ATOM 572 CG1 VAL A 38 0.739 0.948 1.958 1.00 0.00 C ATOM 573 CG2 VAL A 38 0.172 2.576 0.094 1.00 0.00 C ATOM 0 H VAL A 38 -2.086 0.879 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 38 0.447 -0.362 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.217 1.576 1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.899 1.801 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.355 0.108 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.684 0.666 1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.324 3.402 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.104 2.367 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.598 2.846 -0.629 1.00 0.00 H new ATOM 583 N VAL A 39 -0.836 -1.877 1.190 1.00 0.00 N ATOM 584 CA VAL A 39 -1.586 -2.946 1.904 1.00 0.00 C ATOM 585 C VAL A 39 -0.959 -3.142 3.285 1.00 0.00 C ATOM 586 O VAL A 39 0.234 -3.005 3.440 1.00 0.00 O ATOM 587 CB VAL A 39 -1.506 -4.253 1.058 1.00 0.00 C ATOM 588 CG1 VAL A 39 -0.044 -4.723 0.856 1.00 0.00 C ATOM 589 CG2 VAL A 39 -2.301 -5.374 1.760 1.00 0.00 C ATOM 0 H VAL A 39 0.175 -2.012 1.178 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.634 -2.676 2.034 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.932 -4.037 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.034 -5.637 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.519 -3.947 0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.413 -4.917 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.244 -6.287 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.878 -5.556 2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.343 -5.072 1.862 1.00 0.00 H new ATOM 599 N CYS A 40 -1.793 -3.460 4.235 1.00 0.00 N ATOM 600 CA CYS A 40 -1.315 -3.692 5.633 1.00 0.00 C ATOM 601 C CYS A 40 -1.207 -5.175 5.964 1.00 0.00 C ATOM 602 O CYS A 40 -2.114 -5.799 6.470 1.00 0.00 O ATOM 603 CB CYS A 40 -2.249 -3.108 6.674 1.00 0.00 C ATOM 604 SG CYS A 40 -1.917 -3.686 8.361 1.00 0.00 S ATOM 0 H CYS A 40 -2.798 -3.571 4.104 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.341 -3.204 5.667 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.171 -2.021 6.650 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.276 -3.359 6.409 1.00 0.00 H new ATOM 610 N ASN A 41 -0.056 -5.668 5.638 1.00 0.00 N ATOM 611 CA ASN A 41 0.398 -7.076 5.832 1.00 0.00 C ATOM 612 C ASN A 41 -0.110 -7.713 7.138 1.00 0.00 C ATOM 613 O ASN A 41 -0.300 -8.908 7.241 1.00 0.00 O ATOM 614 CB ASN A 41 1.884 -7.065 5.905 1.00 0.00 C ATOM 615 CG ASN A 41 2.524 -6.348 4.738 1.00 0.00 C ATOM 616 OD1 ASN A 41 2.730 -5.072 4.901 1.00 0.00 O flip ATOM 617 ND2 ASN A 41 2.831 -6.913 3.706 1.00 0.00 N flip ATOM 0 H ASN A 41 0.663 -5.092 5.200 1.00 0.00 H new ATOM 0 HA ASN A 41 0.003 -7.659 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.194 -6.586 6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.249 -8.092 5.939 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.660 -7.913 3.602 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.260 -6.387 2.945 1.00 0.00 H new ATOM 624 N GLU A 42 -0.307 -6.828 8.081 1.00 0.00 N ATOM 625 CA GLU A 42 -0.763 -7.171 9.451 1.00 0.00 C ATOM 626 C GLU A 42 -2.204 -7.500 9.798 1.00 0.00 C ATOM 627 O GLU A 42 -2.430 -8.510 10.438 1.00 0.00 O ATOM 628 CB GLU A 42 -0.222 -5.997 10.288 1.00 0.00 C ATOM 629 CG GLU A 42 1.300 -5.736 9.948 1.00 0.00 C ATOM 630 CD GLU A 42 2.226 -6.685 10.730 1.00 0.00 C ATOM 631 OE1 GLU A 42 2.152 -7.873 10.457 1.00 0.00 O ATOM 632 OE2 GLU A 42 2.959 -6.163 11.559 1.00 0.00 O ATOM 0 H GLU A 42 -0.160 -5.828 7.941 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.387 -8.175 9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.806 -5.099 10.087 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.332 -6.217 11.350 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.462 -5.868 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.554 -4.703 10.184 1.00 0.00 H new ATOM 639 N CYS A 43 -3.131 -6.688 9.399 1.00 0.00 N ATOM 640 CA CYS A 43 -4.558 -6.979 9.721 1.00 0.00 C ATOM 641 C CYS A 43 -5.159 -7.237 8.354 1.00 0.00 C ATOM 642 O CYS A 43 -6.160 -7.919 8.232 1.00 0.00 O ATOM 643 CB CYS A 43 -5.234 -5.769 10.385 1.00 0.00 C ATOM 644 SG CYS A 43 -5.567 -4.327 9.352 1.00 0.00 S ATOM 0 H CYS A 43 -2.970 -5.835 8.864 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.681 -7.806 10.420 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -6.180 -6.104 10.809 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.607 -5.449 11.217 1.00 0.00 H new ATOM 650 N GLY A 44 -4.505 -6.660 7.370 1.00 0.00 N ATOM 651 CA GLY A 44 -4.991 -6.841 5.976 1.00 0.00 C ATOM 652 C GLY A 44 -5.950 -5.738 5.534 1.00 0.00 C ATOM 653 O GLY A 44 -7.095 -6.009 5.219 1.00 0.00 O ATOM 0 H GLY A 44 -3.671 -6.083 7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.137 -6.866 5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.492 -7.806 5.893 1.00 0.00 H new ATOM 657 N ASN A 45 -5.448 -4.533 5.521 1.00 0.00 N ATOM 658 CA ASN A 45 -6.242 -3.347 5.115 1.00 0.00 C ATOM 659 C ASN A 45 -5.610 -2.985 3.771 1.00 0.00 C ATOM 660 O ASN A 45 -4.475 -3.319 3.519 1.00 0.00 O ATOM 661 CB ASN A 45 -6.037 -2.252 6.168 1.00 0.00 C ATOM 662 CG ASN A 45 -7.021 -1.118 6.061 1.00 0.00 C ATOM 663 OD1 ASN A 45 -6.834 -0.169 6.924 1.00 0.00 O flip ATOM 664 ND2 ASN A 45 -7.922 -1.070 5.250 1.00 0.00 N flip ATOM 0 H ASN A 45 -4.486 -4.319 5.785 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.318 -3.498 5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.114 -2.696 7.161 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.026 -1.855 6.074 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.047 -1.830 4.582 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.554 -0.269 5.237 1.00 0.00 H new ATOM 671 N ARG A 46 -6.344 -2.319 2.936 1.00 0.00 N ATOM 672 CA ARG A 46 -5.801 -1.930 1.598 1.00 0.00 C ATOM 673 C ARG A 46 -6.348 -0.571 1.170 1.00 0.00 C ATOM 674 O ARG A 46 -7.546 -0.362 1.161 1.00 0.00 O ATOM 675 CB ARG A 46 -6.174 -3.036 0.565 1.00 0.00 C ATOM 676 CG ARG A 46 -7.694 -3.394 0.487 1.00 0.00 C ATOM 677 CD ARG A 46 -8.214 -4.027 1.807 1.00 0.00 C ATOM 678 NE ARG A 46 -9.531 -4.677 1.549 1.00 0.00 N ATOM 679 CZ ARG A 46 -10.592 -4.261 2.181 1.00 0.00 C ATOM 680 NH1 ARG A 46 -11.210 -3.207 1.725 1.00 0.00 N ATOM 681 NH2 ARG A 46 -10.990 -4.908 3.243 1.00 0.00 N ATOM 0 H ARG A 46 -7.303 -2.022 3.116 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.716 -1.841 1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.843 -2.714 -0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.617 -3.940 0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.267 -2.493 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.861 -4.087 -0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.499 -4.760 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.316 -3.262 2.577 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.601 -5.444 0.880 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.860 -2.731 0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.043 -2.859 2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.472 -5.725 3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.818 -4.596 3.750 1.00 0.00 H new ATOM 695 N TRP A 47 -5.442 0.313 0.833 1.00 0.00 N ATOM 696 CA TRP A 47 -5.825 1.682 0.400 1.00 0.00 C ATOM 697 C TRP A 47 -4.828 2.205 -0.638 1.00 0.00 C ATOM 698 O TRP A 47 -3.856 1.549 -0.959 1.00 0.00 O ATOM 699 CB TRP A 47 -5.859 2.537 1.670 1.00 0.00 C ATOM 700 CG TRP A 47 -4.452 2.657 2.263 1.00 0.00 C ATOM 701 CD1 TRP A 47 -3.679 3.743 2.043 1.00 0.00 C ATOM 702 CD2 TRP A 47 -3.792 1.769 3.047 1.00 0.00 C ATOM 703 NE1 TRP A 47 -2.579 3.461 2.713 1.00 0.00 N ATOM 704 CE2 TRP A 47 -2.550 2.298 3.350 1.00 0.00 C ATOM 705 CE3 TRP A 47 -4.126 0.516 3.542 1.00 0.00 C ATOM 706 CZ2 TRP A 47 -1.665 1.583 4.136 1.00 0.00 C ATOM 707 CZ3 TRP A 47 -3.243 -0.189 4.324 1.00 0.00 C ATOM 708 CH2 TRP A 47 -2.016 0.343 4.619 1.00 0.00 C ATOM 0 H TRP A 47 -4.438 0.136 0.842 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.800 1.706 -0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -6.251 3.528 1.440 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.533 2.090 2.401 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -3.906 4.625 1.462 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.789 4.106 2.740 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.091 0.090 3.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -0.696 1.999 4.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.516 -1.162 4.706 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.322 -0.212 5.232 1.00 0.00 H new ATOM 719 N LYS A 48 -5.106 3.380 -1.137 1.00 0.00 N ATOM 720 CA LYS A 48 -4.210 4.011 -2.163 1.00 0.00 C ATOM 721 C LYS A 48 -3.850 5.454 -1.762 1.00 0.00 C ATOM 722 O LYS A 48 -4.550 6.103 -1.008 1.00 0.00 O ATOM 723 CB LYS A 48 -4.902 4.082 -3.531 1.00 0.00 C ATOM 724 CG LYS A 48 -5.560 2.753 -3.964 1.00 0.00 C ATOM 725 CD LYS A 48 -6.417 3.062 -5.217 1.00 0.00 C ATOM 726 CE LYS A 48 -6.803 1.775 -5.972 1.00 0.00 C ATOM 727 NZ LYS A 48 -7.550 0.837 -5.088 1.00 0.00 N ATOM 0 H LYS A 48 -5.920 3.937 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.315 3.392 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.663 4.862 -3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.171 4.377 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.802 2.003 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.179 2.350 -3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.320 3.594 -4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.863 3.723 -5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.414 2.028 -6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.904 1.287 -6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.929 0.052 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.909 0.461 -4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.335 1.343 -4.630 1.00 0.00 H new ATOM 741 N PHE A 49 -2.746 5.882 -2.309 1.00 0.00 N ATOM 742 CA PHE A 49 -2.173 7.244 -2.095 1.00 0.00 C ATOM 743 C PHE A 49 -1.665 7.752 -3.465 1.00 0.00 C ATOM 744 O PHE A 49 -1.665 7.034 -4.447 1.00 0.00 O ATOM 745 CB PHE A 49 -1.009 7.137 -1.076 1.00 0.00 C ATOM 746 CG PHE A 49 -0.278 8.483 -0.894 1.00 0.00 C ATOM 747 CD1 PHE A 49 -0.868 9.539 -0.224 1.00 0.00 C ATOM 748 CD2 PHE A 49 0.995 8.651 -1.414 1.00 0.00 C ATOM 749 CE1 PHE A 49 -0.200 10.738 -0.075 1.00 0.00 C ATOM 750 CE2 PHE A 49 1.663 9.850 -1.264 1.00 0.00 C ATOM 751 CZ PHE A 49 1.065 10.893 -0.594 1.00 0.00 C ATOM 0 H PHE A 49 -2.184 5.305 -2.935 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.913 7.939 -1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.398 6.802 -0.114 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.300 6.381 -1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.860 9.425 0.186 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.469 7.837 -1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.671 11.556 0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.656 9.970 -1.673 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.587 11.831 -0.476 1.00 0.00 H new ATOM 761 N CYS A 50 -1.236 8.988 -3.468 1.00 0.00 N ATOM 762 CA CYS A 50 -0.704 9.658 -4.699 1.00 0.00 C ATOM 763 C CYS A 50 0.825 9.723 -4.617 1.00 0.00 C ATOM 764 O CYS A 50 1.503 8.714 -4.653 1.00 0.00 O ATOM 765 CB CYS A 50 -1.270 11.073 -4.778 1.00 0.00 C ATOM 766 SG CYS A 50 -3.062 11.251 -4.939 1.00 0.00 S ATOM 0 H CYS A 50 -1.232 9.583 -2.639 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.997 9.095 -5.585 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.958 11.610 -3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.805 11.574 -5.627 1.00 0.00 H new ATOM 0 HG CYS A 50 -3.370 12.513 -4.990 1.00 0.00 H new TER 772 CYS A 50 HETATM 773 ZN ZN A 51 -3.948 -3.033 9.960 1.00 0.00 ZN