USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 283 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 Single : A 1 GLY N :NH3+ -151:sc= 0 (180deg=-0.742) USER MOD Single : A 5 ASN : amide:sc= -0.066 K(o=-0.066,f=-2.2) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.201 USER MOD Single : A 13 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.37) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -124:sc= -0.255 (180deg=-0.322) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc=-0.00285 (180deg=-0.12) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.38) USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.107) USER MOD Single : A 34 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.51) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.690 -6.370 9.035 1.00 0.00 N ATOM 2 CA GLY A 1 0.842 -6.211 7.845 1.00 0.00 C ATOM 3 C GLY A 1 -0.406 -5.417 8.194 1.00 0.00 C ATOM 4 O GLY A 1 -1.145 -5.753 9.118 1.00 0.00 O ATOM 0 H1 GLY A 1 2.686 -6.447 8.744 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.574 -5.545 9.657 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.411 -7.231 9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.398 -5.701 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.562 -7.190 7.455 1.00 0.00 H new ATOM 9 N VAL A 2 -0.644 -4.344 7.459 1.00 0.00 N ATOM 10 CA VAL A 2 -1.829 -3.540 7.744 1.00 0.00 C ATOM 11 C VAL A 2 -2.187 -2.781 6.469 1.00 0.00 C ATOM 12 O VAL A 2 -1.354 -2.121 5.846 1.00 0.00 O ATOM 13 CB VAL A 2 -1.586 -2.673 8.985 1.00 0.00 C ATOM 14 CG1 VAL A 2 -0.551 -1.577 8.755 1.00 0.00 C ATOM 15 CG2 VAL A 2 -2.886 -2.025 9.437 1.00 0.00 C ATOM 0 H VAL A 2 -0.061 -4.015 6.689 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.698 -4.145 8.005 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.199 -3.343 9.752 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.424 -0.999 9.670 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.401 -2.028 8.476 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.889 -0.919 7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.700 -1.412 10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.278 -1.398 8.636 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.613 -2.800 9.681 1.00 0.00 H new ATOM 25 N GLU A 3 -3.441 -2.928 6.067 1.00 0.00 N ATOM 26 CA GLU A 3 -3.924 -2.263 4.852 1.00 0.00 C ATOM 27 C GLU A 3 -4.616 -0.937 5.130 1.00 0.00 C ATOM 28 O GLU A 3 -5.395 -0.814 6.075 1.00 0.00 O ATOM 29 CB GLU A 3 -4.893 -3.207 4.131 1.00 0.00 C ATOM 30 CG GLU A 3 -6.143 -3.579 4.937 1.00 0.00 C ATOM 31 CD GLU A 3 -7.024 -4.513 4.123 1.00 0.00 C ATOM 32 OE1 GLU A 3 -7.294 -4.328 2.938 1.00 0.00 O ATOM 33 OE2 GLU A 3 -7.472 -5.571 4.868 1.00 0.00 O ATOM 0 H GLU A 3 -4.139 -3.492 6.552 1.00 0.00 H new ATOM 0 HA GLU A 3 -3.056 -2.037 4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.205 -2.741 3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.361 -4.121 3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.854 -4.060 5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.698 -2.679 5.200 1.00 0.00 H new ATOM 41 N ILE A 4 -4.330 0.054 4.294 1.00 0.00 N ATOM 42 CA ILE A 4 -4.958 1.365 4.477 1.00 0.00 C ATOM 43 C ILE A 4 -6.293 1.237 3.749 1.00 0.00 C ATOM 44 O ILE A 4 -6.559 0.181 3.174 1.00 0.00 O ATOM 45 CB ILE A 4 -4.062 2.510 3.983 1.00 0.00 C ATOM 46 CG1 ILE A 4 -3.603 2.327 2.529 1.00 0.00 C ATOM 47 CG2 ILE A 4 -2.867 2.607 4.936 1.00 0.00 C ATOM 48 CD1 ILE A 4 -2.848 3.549 1.999 1.00 0.00 C ATOM 0 H ILE A 4 -3.688 -0.015 3.504 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.113 1.629 5.523 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.635 3.437 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.961 1.449 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.471 2.137 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.208 3.413 4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.223 2.812 5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.318 1.665 4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.545 3.370 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.497 4.424 2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.964 3.724 2.612 1.00 0.00 H new ATOM 60 N ASN A 5 -7.110 2.288 3.728 1.00 0.00 N ATOM 61 CA ASN A 5 -8.417 2.212 3.045 1.00 0.00 C ATOM 62 C ASN A 5 -8.442 2.679 1.595 1.00 0.00 C ATOM 63 O ASN A 5 -9.498 3.008 1.056 1.00 0.00 O ATOM 64 CB ASN A 5 -9.441 3.010 3.853 1.00 0.00 C ATOM 65 CG ASN A 5 -9.184 4.513 3.838 1.00 0.00 C ATOM 66 OD1 ASN A 5 -8.137 5.007 3.421 1.00 0.00 O ATOM 67 ND2 ASN A 5 -10.161 5.268 4.304 1.00 0.00 N ATOM 0 H ASN A 5 -6.905 3.187 4.163 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.657 1.150 2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.438 2.815 3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.434 2.658 4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.057 6.282 4.323 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.020 4.837 4.645 1.00 0.00 H new ATOM 74 N VAL A 6 -7.274 2.712 0.988 1.00 0.00 N ATOM 75 CA VAL A 6 -7.161 3.139 -0.411 1.00 0.00 C ATOM 76 C VAL A 6 -7.123 1.893 -1.289 1.00 0.00 C ATOM 77 O VAL A 6 -6.400 0.939 -1.003 1.00 0.00 O ATOM 78 CB VAL A 6 -5.879 3.949 -0.628 1.00 0.00 C ATOM 79 CG1 VAL A 6 -5.863 4.598 -2.012 1.00 0.00 C ATOM 80 CG2 VAL A 6 -5.726 5.079 0.392 1.00 0.00 C ATOM 0 H VAL A 6 -6.391 2.453 1.427 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.013 3.768 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.062 3.236 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.941 5.166 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.919 3.824 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.718 5.267 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.802 5.623 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.573 5.760 0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.694 4.660 1.398 1.00 0.00 H new ATOM 90 N LYS A 7 -7.914 1.906 -2.347 1.00 0.00 N ATOM 91 CA LYS A 7 -7.946 0.760 -3.261 1.00 0.00 C ATOM 92 C LYS A 7 -6.848 1.029 -4.281 1.00 0.00 C ATOM 93 O LYS A 7 -6.769 2.130 -4.827 1.00 0.00 O ATOM 94 CB LYS A 7 -9.332 0.594 -3.896 1.00 0.00 C ATOM 95 CG LYS A 7 -9.826 1.816 -4.672 1.00 0.00 C ATOM 96 CD LYS A 7 -11.203 1.532 -5.264 1.00 0.00 C ATOM 97 CE LYS A 7 -11.705 2.742 -6.048 1.00 0.00 C ATOM 98 NZ LYS A 7 -13.032 2.453 -6.612 1.00 0.00 N ATOM 0 H LYS A 7 -8.534 2.676 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.767 -0.185 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.309 -0.263 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.052 0.363 -3.111 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.876 2.682 -4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.122 2.062 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.152 0.662 -5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.906 1.290 -4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.759 3.613 -5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.005 2.985 -6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.370 3.280 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.968 1.633 -7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.698 2.242 -5.842 1.00 0.00 H new ATOM 111 N CYS A 8 -5.992 0.044 -4.533 1.00 0.00 N ATOM 112 CA CYS A 8 -4.912 0.262 -5.504 1.00 0.00 C ATOM 113 C CYS A 8 -5.219 -0.220 -6.902 1.00 0.00 C ATOM 114 O CYS A 8 -6.173 -0.945 -7.180 1.00 0.00 O ATOM 115 CB CYS A 8 -3.679 -0.543 -5.122 1.00 0.00 C ATOM 116 SG CYS A 8 -3.836 -2.203 -5.807 1.00 0.00 S ATOM 0 H CYS A 8 -6.015 -0.880 -4.101 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.773 1.343 -5.490 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.780 -0.060 -5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.580 -0.590 -4.038 1.00 0.00 H new ATOM 121 N SER A 9 -4.342 0.239 -7.772 1.00 0.00 N ATOM 122 CA SER A 9 -4.437 -0.113 -9.187 1.00 0.00 C ATOM 123 C SER A 9 -3.479 -1.283 -9.363 1.00 0.00 C ATOM 124 O SER A 9 -3.638 -2.158 -10.214 1.00 0.00 O ATOM 125 CB SER A 9 -4.006 1.071 -10.048 1.00 0.00 C ATOM 126 OG SER A 9 -4.067 0.712 -11.420 1.00 0.00 O ATOM 0 H SER A 9 -3.561 0.851 -7.535 1.00 0.00 H new ATOM 0 HA SER A 9 -5.453 -0.371 -9.487 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.653 1.927 -9.857 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.992 1.374 -9.786 1.00 0.00 H new ATOM 0 HG SER A 9 -3.791 1.475 -11.970 1.00 0.00 H new ATOM 132 N GLY A 10 -2.463 -1.277 -8.516 1.00 0.00 N ATOM 133 CA GLY A 10 -1.456 -2.332 -8.555 1.00 0.00 C ATOM 134 C GLY A 10 -0.404 -1.977 -7.520 1.00 0.00 C ATOM 135 O GLY A 10 -0.580 -1.016 -6.771 1.00 0.00 O ATOM 0 H GLY A 10 -2.312 -0.565 -7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.903 -3.301 -8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.012 -2.405 -9.548 1.00 0.00 H new ATOM 139 N SER A 11 0.660 -2.764 -7.431 1.00 0.00 N ATOM 140 CA SER A 11 1.707 -2.442 -6.446 1.00 0.00 C ATOM 141 C SER A 11 2.375 -1.052 -6.658 1.00 0.00 C ATOM 142 O SER A 11 2.581 -0.397 -5.634 1.00 0.00 O ATOM 143 CB SER A 11 2.643 -3.630 -6.234 1.00 0.00 C ATOM 144 OG SER A 11 3.329 -4.001 -7.418 1.00 0.00 O ATOM 0 H SER A 11 0.827 -3.596 -7.997 1.00 0.00 H new ATOM 0 HA SER A 11 1.226 -2.292 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.369 -3.382 -5.460 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.067 -4.481 -5.870 1.00 0.00 H new ATOM 0 HG SER A 11 3.916 -4.763 -7.231 1.00 0.00 H new ATOM 150 N PRO A 12 2.661 -0.411 -7.826 1.00 0.00 N ATOM 151 CA PRO A 12 3.281 0.926 -7.785 1.00 0.00 C ATOM 152 C PRO A 12 2.300 2.028 -7.333 1.00 0.00 C ATOM 153 O PRO A 12 2.716 3.109 -6.921 1.00 0.00 O ATOM 154 CB PRO A 12 3.752 1.181 -9.212 1.00 0.00 C ATOM 155 CG PRO A 12 4.119 -0.208 -9.703 1.00 0.00 C ATOM 156 CD PRO A 12 3.033 -1.083 -9.089 1.00 0.00 C ATOM 0 HA PRO A 12 4.092 0.954 -7.057 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.968 1.631 -9.822 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.606 1.858 -9.240 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.117 -0.266 -10.791 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.114 -0.505 -9.370 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.175 -1.171 -9.755 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.399 -2.093 -8.905 1.00 0.00 H new ATOM 164 N GLN A 13 0.985 1.770 -7.394 1.00 0.00 N ATOM 165 CA GLN A 13 -0.012 2.756 -6.968 1.00 0.00 C ATOM 166 C GLN A 13 -0.262 2.592 -5.454 1.00 0.00 C ATOM 167 O GLN A 13 -0.913 3.418 -4.818 1.00 0.00 O ATOM 168 CB GLN A 13 -1.281 2.496 -7.786 1.00 0.00 C ATOM 169 CG GLN A 13 -2.419 3.479 -7.504 1.00 0.00 C ATOM 170 CD GLN A 13 -2.033 4.910 -7.849 1.00 0.00 C ATOM 171 OE1 GLN A 13 -1.390 5.613 -7.071 1.00 0.00 O ATOM 172 NE2 GLN A 13 -2.426 5.356 -9.027 1.00 0.00 N ATOM 0 H GLN A 13 0.592 0.892 -7.732 1.00 0.00 H new ATOM 0 HA GLN A 13 0.322 3.780 -7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.032 2.540 -8.846 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.631 1.484 -7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.298 3.191 -8.081 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.696 3.422 -6.451 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.958 4.749 -9.651 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.198 6.308 -9.314 1.00 0.00 H new ATOM 181 N CYS A 14 0.242 1.513 -4.862 1.00 0.00 N ATOM 182 CA CYS A 14 0.063 1.286 -3.428 1.00 0.00 C ATOM 183 C CYS A 14 1.176 2.111 -2.795 1.00 0.00 C ATOM 184 O CYS A 14 0.982 2.816 -1.799 1.00 0.00 O ATOM 185 CB CYS A 14 0.302 -0.206 -3.160 1.00 0.00 C ATOM 186 SG CYS A 14 0.285 -0.571 -1.405 1.00 0.00 S ATOM 0 H CYS A 14 0.772 0.788 -5.345 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.922 1.555 -3.047 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.466 -0.794 -3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.260 -0.504 -3.585 1.00 0.00 H new ATOM 191 N LEU A 15 2.347 1.881 -3.391 1.00 0.00 N ATOM 192 CA LEU A 15 3.606 2.531 -3.018 1.00 0.00 C ATOM 193 C LEU A 15 3.491 4.019 -2.742 1.00 0.00 C ATOM 194 O LEU A 15 3.845 4.468 -1.652 1.00 0.00 O ATOM 195 CB LEU A 15 4.626 2.220 -4.123 1.00 0.00 C ATOM 196 CG LEU A 15 6.050 2.735 -3.877 1.00 0.00 C ATOM 197 CD1 LEU A 15 6.702 2.048 -2.678 1.00 0.00 C ATOM 198 CD2 LEU A 15 6.890 2.438 -5.115 1.00 0.00 C ATOM 0 H LEU A 15 2.450 1.223 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 15 3.933 2.127 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.669 1.139 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.262 2.645 -5.058 1.00 0.00 H new ATOM 0 HG LEU A 15 5.996 3.804 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.709 2.440 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.110 2.239 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.753 0.974 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.907 2.797 -4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.908 1.363 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.456 2.941 -5.979 1.00 0.00 H new ATOM 210 N LYS A 16 3.122 4.728 -3.810 1.00 0.00 N ATOM 211 CA LYS A 16 2.944 6.197 -3.772 1.00 0.00 C ATOM 212 C LYS A 16 2.222 6.745 -2.509 1.00 0.00 C ATOM 213 O LYS A 16 2.840 7.573 -1.841 1.00 0.00 O ATOM 214 CB LYS A 16 2.454 6.709 -5.139 1.00 0.00 C ATOM 215 CG LYS A 16 2.498 8.233 -5.206 1.00 0.00 C ATOM 216 CD LYS A 16 2.070 8.714 -6.590 1.00 0.00 C ATOM 217 CE LYS A 16 2.116 10.238 -6.662 1.00 0.00 C ATOM 218 NZ LYS A 16 1.701 10.686 -7.999 1.00 0.00 N ATOM 0 H LYS A 16 2.937 4.313 -4.723 1.00 0.00 H new ATOM 0 HA LYS A 16 3.923 6.651 -3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.074 6.290 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.435 6.364 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.841 8.656 -4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.506 8.585 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.726 8.288 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.061 8.364 -6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.460 10.667 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.125 10.591 -6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.734 11.725 -8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.344 10.289 -8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.731 10.362 -8.188 1.00 0.00 H new ATOM 231 N PRO A 17 1.017 6.364 -2.049 1.00 0.00 N ATOM 232 CA PRO A 17 0.481 6.973 -0.838 1.00 0.00 C ATOM 233 C PRO A 17 1.226 6.423 0.376 1.00 0.00 C ATOM 234 O PRO A 17 1.538 7.190 1.288 1.00 0.00 O ATOM 235 CB PRO A 17 -1.008 6.614 -0.869 1.00 0.00 C ATOM 236 CG PRO A 17 -1.131 5.420 -1.817 1.00 0.00 C ATOM 237 CD PRO A 17 0.001 5.637 -2.814 1.00 0.00 C ATOM 0 HA PRO A 17 0.605 8.054 -0.778 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.370 6.361 0.128 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.605 7.455 -1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.022 4.474 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.102 5.399 -2.311 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.388 4.690 -3.190 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.334 6.211 -3.678 1.00 0.00 H new ATOM 245 N CYS A 18 1.396 5.094 0.428 1.00 0.00 N ATOM 246 CA CYS A 18 2.105 4.427 1.538 1.00 0.00 C ATOM 247 C CYS A 18 3.420 5.047 1.999 1.00 0.00 C ATOM 248 O CYS A 18 3.636 5.258 3.186 1.00 0.00 O ATOM 249 CB CYS A 18 2.311 2.941 1.273 1.00 0.00 C ATOM 250 SG CYS A 18 0.922 2.074 2.021 1.00 0.00 S ATOM 0 H CYS A 18 1.052 4.454 -0.288 1.00 0.00 H new ATOM 0 HA CYS A 18 1.416 4.583 2.368 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.357 2.743 0.202 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.254 2.600 1.701 1.00 0.00 H new ATOM 255 N LYS A 19 4.271 5.455 1.068 1.00 0.00 N ATOM 256 CA LYS A 19 5.553 6.050 1.466 1.00 0.00 C ATOM 257 C LYS A 19 5.427 7.530 1.840 1.00 0.00 C ATOM 258 O LYS A 19 6.318 8.090 2.476 1.00 0.00 O ATOM 259 CB LYS A 19 6.527 5.836 0.305 1.00 0.00 C ATOM 260 CG LYS A 19 7.965 6.216 0.667 1.00 0.00 C ATOM 261 CD LYS A 19 8.946 5.946 -0.475 1.00 0.00 C ATOM 262 CE LYS A 19 9.231 4.457 -0.662 1.00 0.00 C ATOM 263 NZ LYS A 19 10.274 4.282 -1.682 1.00 0.00 N ATOM 0 H LYS A 19 4.112 5.392 0.062 1.00 0.00 H new ATOM 0 HA LYS A 19 5.920 5.565 2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.497 4.790 -0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.203 6.428 -0.551 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.003 7.273 0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.275 5.655 1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.542 6.354 -1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.881 6.470 -0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.553 4.016 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.322 3.937 -0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.468 3.268 -1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.950 4.689 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.143 4.765 -1.377 1.00 0.00 H new ATOM 276 N ASP A 20 4.291 8.153 1.512 1.00 0.00 N ATOM 277 CA ASP A 20 4.074 9.567 1.842 1.00 0.00 C ATOM 278 C ASP A 20 3.430 9.646 3.218 1.00 0.00 C ATOM 279 O ASP A 20 3.454 10.648 3.932 1.00 0.00 O ATOM 280 CB ASP A 20 3.198 10.227 0.782 1.00 0.00 C ATOM 281 CG ASP A 20 3.861 10.151 -0.584 1.00 0.00 C ATOM 282 OD1 ASP A 20 5.075 10.035 -0.743 1.00 0.00 O ATOM 283 OD2 ASP A 20 2.946 10.229 -1.601 1.00 0.00 O ATOM 0 H ASP A 20 3.514 7.707 1.023 1.00 0.00 H new ATOM 0 HA ASP A 20 5.024 10.102 1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.226 9.735 0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.019 11.269 1.048 1.00 0.00 H new ATOM 289 N ALA A 21 2.837 8.527 3.547 1.00 0.00 N ATOM 290 CA ALA A 21 2.161 8.379 4.832 1.00 0.00 C ATOM 291 C ALA A 21 3.240 8.177 5.889 1.00 0.00 C ATOM 292 O ALA A 21 3.342 8.932 6.855 1.00 0.00 O ATOM 293 CB ALA A 21 1.212 7.180 4.776 1.00 0.00 C ATOM 0 H ALA A 21 2.803 7.700 2.951 1.00 0.00 H new ATOM 0 HA ALA A 21 1.566 9.259 5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.708 7.070 5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.471 7.339 3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.781 6.276 4.559 1.00 0.00 H new ATOM 299 N GLY A 22 4.055 7.152 5.685 1.00 0.00 N ATOM 300 CA GLY A 22 5.135 6.861 6.636 1.00 0.00 C ATOM 301 C GLY A 22 5.412 5.363 6.698 1.00 0.00 C ATOM 302 O GLY A 22 6.120 4.871 7.575 1.00 0.00 O ATOM 0 H GLY A 22 3.998 6.516 4.890 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.040 7.391 6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.862 7.226 7.626 1.00 0.00 H new ATOM 306 N MET A 23 4.822 4.636 5.766 1.00 0.00 N ATOM 307 CA MET A 23 5.009 3.184 5.722 1.00 0.00 C ATOM 308 C MET A 23 6.251 2.807 4.926 1.00 0.00 C ATOM 309 O MET A 23 6.966 3.673 4.423 1.00 0.00 O ATOM 310 CB MET A 23 3.727 2.594 5.133 1.00 0.00 C ATOM 311 CG MET A 23 2.571 2.882 6.091 1.00 0.00 C ATOM 312 SD MET A 23 1.305 1.618 5.935 1.00 0.00 S ATOM 313 CE MET A 23 2.125 0.315 6.874 1.00 0.00 C ATOM 0 H MET A 23 4.217 5.013 5.037 1.00 0.00 H new ATOM 0 HA MET A 23 5.180 2.778 6.719 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.525 3.030 4.155 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.838 1.520 4.986 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.939 2.914 7.117 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.145 3.862 5.874 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.213 -0.579 6.256 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.119 0.651 7.170 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.539 0.084 7.764 1.00 0.00 H new ATOM 323 N ARG A 24 6.513 1.507 4.825 1.00 0.00 N ATOM 324 CA ARG A 24 7.684 1.052 4.081 1.00 0.00 C ATOM 325 C ARG A 24 7.261 0.852 2.628 1.00 0.00 C ATOM 326 O ARG A 24 6.838 1.783 1.945 1.00 0.00 O ATOM 327 CB ARG A 24 8.268 -0.129 4.871 1.00 0.00 C ATOM 328 CG ARG A 24 9.750 -0.372 4.570 1.00 0.00 C ATOM 329 CD ARG A 24 10.294 -1.489 5.456 1.00 0.00 C ATOM 330 NE ARG A 24 11.716 -1.682 5.172 1.00 0.00 N ATOM 331 CZ ARG A 24 12.392 -2.609 5.834 1.00 0.00 C ATOM 332 NH1 ARG A 24 11.796 -3.358 6.744 1.00 0.00 N ATOM 333 NH2 ARG A 24 13.675 -2.786 5.580 1.00 0.00 N ATOM 0 H ARG A 24 5.946 0.766 5.237 1.00 0.00 H new ATOM 0 HA ARG A 24 8.515 1.752 3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.145 0.058 5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.702 -1.031 4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.876 -0.637 3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.317 0.544 4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.152 -1.237 6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.746 -2.413 5.273 1.00 0.00 H new ATOM 0 HE ARG A 24 12.183 -1.108 4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.804 -3.226 6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.327 -4.069 7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.140 -2.211 4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.202 -3.498 6.086 1.00 0.00 H new ATOM 346 N PHE A 25 7.361 -0.366 2.159 1.00 0.00 N ATOM 347 CA PHE A 25 6.982 -0.652 0.774 1.00 0.00 C ATOM 348 C PHE A 25 5.481 -0.851 0.661 1.00 0.00 C ATOM 349 O PHE A 25 4.803 -1.194 1.627 1.00 0.00 O ATOM 350 CB PHE A 25 7.656 -1.917 0.259 1.00 0.00 C ATOM 351 CG PHE A 25 9.011 -2.128 0.893 1.00 0.00 C ATOM 352 CD1 PHE A 25 10.047 -1.360 0.531 1.00 0.00 C ATOM 353 CD2 PHE A 25 9.179 -3.091 1.810 1.00 0.00 C ATOM 354 CE1 PHE A 25 11.252 -1.555 1.083 1.00 0.00 C ATOM 355 CE2 PHE A 25 10.385 -3.286 2.363 1.00 0.00 C ATOM 356 CZ PHE A 25 11.421 -2.519 1.998 1.00 0.00 C ATOM 0 H PHE A 25 7.693 -1.169 2.693 1.00 0.00 H new ATOM 0 HA PHE A 25 7.302 0.203 0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.020 -2.778 0.466 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.767 -1.855 -0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.911 -0.583 -0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.344 -3.710 2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.087 -0.935 0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.521 -4.061 3.103 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.393 -2.678 2.442 1.00 0.00 H new ATOM 366 N GLY A 26 4.990 -0.672 -0.552 1.00 0.00 N ATOM 367 CA GLY A 26 3.555 -0.827 -0.814 1.00 0.00 C ATOM 368 C GLY A 26 3.270 -2.084 -1.606 1.00 0.00 C ATOM 369 O GLY A 26 3.482 -2.110 -2.818 1.00 0.00 O ATOM 0 H GLY A 26 5.549 -0.422 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.013 -0.860 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.188 0.041 -1.362 1.00 0.00 H new ATOM 373 N LYS A 27 2.808 -3.119 -0.911 1.00 0.00 N ATOM 374 CA LYS A 27 2.506 -4.379 -1.612 1.00 0.00 C ATOM 375 C LYS A 27 1.016 -4.424 -1.903 1.00 0.00 C ATOM 376 O LYS A 27 0.223 -4.574 -0.979 1.00 0.00 O ATOM 377 CB LYS A 27 2.917 -5.578 -0.756 1.00 0.00 C ATOM 378 CG LYS A 27 4.236 -6.194 -1.230 1.00 0.00 C ATOM 379 CD LYS A 27 5.435 -5.287 -0.947 1.00 0.00 C ATOM 380 CE LYS A 27 6.750 -5.987 -1.285 1.00 0.00 C ATOM 381 NZ LYS A 27 6.837 -6.255 -2.728 1.00 0.00 N ATOM 0 H LYS A 27 2.637 -3.123 0.095 1.00 0.00 H new ATOM 0 HA LYS A 27 3.067 -4.425 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.016 -5.265 0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.132 -6.333 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.385 -7.154 -0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.178 -6.392 -2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.347 -4.371 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.434 -4.996 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.590 -5.366 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.823 -6.923 -0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.798 -6.574 -2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.154 -6.996 -2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.621 -5.386 -3.256 1.00 0.00 H new ATOM 394 N CYS A 28 0.592 -4.301 -3.154 1.00 0.00 N ATOM 395 CA CYS A 28 -0.854 -4.354 -3.383 1.00 0.00 C ATOM 396 C CYS A 28 -1.326 -5.798 -3.302 1.00 0.00 C ATOM 397 O CYS A 28 -0.702 -6.716 -3.833 1.00 0.00 O ATOM 398 CB CYS A 28 -1.341 -3.719 -4.677 1.00 0.00 C ATOM 399 SG CYS A 28 -3.130 -3.551 -4.525 1.00 0.00 S ATOM 0 H CYS A 28 1.178 -4.172 -3.979 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.293 -3.744 -2.594 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.872 -2.747 -4.832 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.081 -4.339 -5.535 1.00 0.00 H new ATOM 404 N MET A 29 -2.439 -5.978 -2.614 1.00 0.00 N ATOM 405 CA MET A 29 -3.014 -7.314 -2.456 1.00 0.00 C ATOM 406 C MET A 29 -4.528 -7.154 -2.463 1.00 0.00 C ATOM 407 O MET A 29 -5.075 -6.325 -1.735 1.00 0.00 O ATOM 408 CB MET A 29 -2.523 -7.924 -1.144 1.00 0.00 C ATOM 409 CG MET A 29 -2.979 -9.375 -1.006 1.00 0.00 C ATOM 410 SD MET A 29 -2.336 -10.057 0.531 1.00 0.00 S ATOM 411 CE MET A 29 -3.013 -11.720 0.405 1.00 0.00 C ATOM 0 H MET A 29 -2.962 -5.230 -2.158 1.00 0.00 H new ATOM 0 HA MET A 29 -2.711 -7.983 -3.262 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.435 -7.876 -1.102 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.900 -7.340 -0.305 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.068 -9.428 -1.014 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.625 -9.962 -1.854 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.717 -12.300 1.279 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.101 -11.667 0.355 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.632 -12.201 -0.496 1.00 0.00 H new ATOM 421 N ASN A 30 -5.181 -7.947 -3.317 1.00 0.00 N ATOM 422 CA ASN A 30 -6.653 -7.943 -3.476 1.00 0.00 C ATOM 423 C ASN A 30 -7.265 -6.556 -3.701 1.00 0.00 C ATOM 424 O ASN A 30 -8.273 -6.191 -3.096 1.00 0.00 O ATOM 425 CB ASN A 30 -7.356 -8.718 -2.347 1.00 0.00 C ATOM 426 CG ASN A 30 -7.370 -8.059 -0.971 1.00 0.00 C ATOM 427 OD1 ASN A 30 -8.209 -7.215 -0.660 1.00 0.00 O ATOM 428 ND2 ASN A 30 -6.442 -8.456 -0.120 1.00 0.00 N ATOM 0 H ASN A 30 -4.708 -8.616 -3.924 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.838 -8.478 -4.407 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.388 -8.898 -2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.877 -9.692 -2.253 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.410 -8.061 0.820 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.758 -9.157 -0.402 1.00 0.00 H new ATOM 435 N ARG A 31 -6.626 -5.777 -4.573 1.00 0.00 N ATOM 436 CA ARG A 31 -7.088 -4.416 -4.892 1.00 0.00 C ATOM 437 C ARG A 31 -7.077 -3.492 -3.674 1.00 0.00 C ATOM 438 O ARG A 31 -7.944 -2.633 -3.525 1.00 0.00 O ATOM 439 CB ARG A 31 -8.457 -4.406 -5.579 1.00 0.00 C ATOM 440 CG ARG A 31 -8.422 -5.158 -6.909 1.00 0.00 C ATOM 441 CD ARG A 31 -9.772 -5.047 -7.612 1.00 0.00 C ATOM 442 NE ARG A 31 -9.713 -5.768 -8.884 1.00 0.00 N ATOM 443 CZ ARG A 31 -10.784 -5.802 -9.662 1.00 0.00 C ATOM 444 NH1 ARG A 31 -11.900 -5.193 -9.302 1.00 0.00 N ATOM 445 NH2 ARG A 31 -10.736 -6.451 -10.810 1.00 0.00 N ATOM 0 H ARG A 31 -5.785 -6.061 -5.075 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.365 -4.020 -5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.198 -4.861 -4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.772 -3.377 -5.750 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.637 -4.749 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.179 -6.206 -6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.559 -5.461 -6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.020 -4.000 -7.785 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.855 -6.240 -9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.943 -4.689 -8.416 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.718 -5.226 -9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.877 -6.923 -11.094 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.558 -6.481 -11.414 1.00 0.00 H new ATOM 458 N LYS A 32 -6.085 -3.645 -2.803 1.00 0.00 N ATOM 459 CA LYS A 32 -5.999 -2.798 -1.613 1.00 0.00 C ATOM 460 C LYS A 32 -4.513 -2.651 -1.346 1.00 0.00 C ATOM 461 O LYS A 32 -3.730 -3.558 -1.615 1.00 0.00 O ATOM 462 CB LYS A 32 -6.624 -3.455 -0.380 1.00 0.00 C ATOM 463 CG LYS A 32 -8.151 -3.564 -0.392 1.00 0.00 C ATOM 464 CD LYS A 32 -8.817 -2.192 -0.295 1.00 0.00 C ATOM 465 CE LYS A 32 -10.329 -2.325 -0.118 1.00 0.00 C ATOM 466 NZ LYS A 32 -10.932 -2.947 -1.306 1.00 0.00 N ATOM 0 H LYS A 32 -5.339 -4.335 -2.893 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.527 -1.860 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.207 -4.456 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.325 -2.889 0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.473 -4.061 -1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.478 -4.187 0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.397 -1.639 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.602 -1.616 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.547 -2.926 0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.770 -1.342 0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.968 -2.893 -1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.614 -2.445 -2.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.641 -3.944 -1.362 1.00 0.00 H new ATOM 479 N CYS A 33 -4.107 -1.525 -0.797 1.00 0.00 N ATOM 480 CA CYS A 33 -2.688 -1.336 -0.524 1.00 0.00 C ATOM 481 C CYS A 33 -2.285 -1.907 0.815 1.00 0.00 C ATOM 482 O CYS A 33 -2.577 -1.370 1.881 1.00 0.00 O ATOM 483 CB CYS A 33 -2.551 0.162 -0.508 1.00 0.00 C ATOM 484 SG CYS A 33 -0.864 0.747 -0.470 1.00 0.00 S ATOM 0 H CYS A 33 -4.712 -0.747 -0.536 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.054 -1.838 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.044 0.569 -1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.079 0.554 0.362 1.00 0.00 H new ATOM 489 N HIS A 34 -1.641 -3.043 0.681 1.00 0.00 N ATOM 490 CA HIS A 34 -1.150 -3.775 1.861 1.00 0.00 C ATOM 491 C HIS A 34 0.327 -3.455 2.010 1.00 0.00 C ATOM 492 O HIS A 34 1.180 -4.117 1.424 1.00 0.00 O ATOM 493 CB HIS A 34 -1.359 -5.289 1.753 1.00 0.00 C ATOM 494 CG HIS A 34 -2.772 -5.713 2.083 1.00 0.00 C ATOM 495 ND1 HIS A 34 -3.075 -6.645 3.066 1.00 0.00 N ATOM 496 CD2 HIS A 34 -3.926 -5.301 1.403 1.00 0.00 C ATOM 497 CE1 HIS A 34 -4.435 -6.704 2.881 1.00 0.00 C ATOM 498 NE2 HIS A 34 -5.035 -5.939 1.918 1.00 0.00 N ATOM 0 H HIS A 34 -1.439 -3.489 -0.214 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.718 -3.458 2.735 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.115 -5.613 0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.667 -5.795 2.426 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.944 -4.587 0.593 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.034 -7.357 3.499 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.018 -5.863 1.657 1.00 0.00 H new ATOM 506 N CYS A 35 0.645 -2.456 2.810 1.00 0.00 N ATOM 507 CA CYS A 35 2.051 -2.099 2.988 1.00 0.00 C ATOM 508 C CYS A 35 2.684 -2.871 4.137 1.00 0.00 C ATOM 509 O CYS A 35 2.009 -3.562 4.899 1.00 0.00 O ATOM 510 CB CYS A 35 2.083 -0.597 3.161 1.00 0.00 C ATOM 511 SG CYS A 35 1.139 0.102 1.808 1.00 0.00 S ATOM 0 H CYS A 35 -0.022 -1.889 3.334 1.00 0.00 H new ATOM 0 HA CYS A 35 2.657 -2.378 2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.654 -0.309 4.121 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.109 -0.228 3.147 1.00 0.00 H new ATOM 516 N THR A 36 4.000 -2.767 4.235 1.00 0.00 N ATOM 517 CA THR A 36 4.717 -3.475 5.299 1.00 0.00 C ATOM 518 C THR A 36 4.966 -2.549 6.507 1.00 0.00 C ATOM 519 O THR A 36 5.926 -1.782 6.446 1.00 0.00 O ATOM 520 CB THR A 36 6.051 -3.890 4.680 1.00 0.00 C ATOM 521 OG1 THR A 36 5.786 -4.698 3.542 1.00 0.00 O ATOM 522 CG2 THR A 36 6.914 -4.692 5.653 1.00 0.00 C ATOM 0 H THR A 36 4.587 -2.215 3.610 1.00 0.00 H new ATOM 0 HA THR A 36 4.145 -4.328 5.664 1.00 0.00 H new ATOM 0 HB THR A 36 6.596 -2.984 4.415 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.632 -4.972 3.131 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.852 -4.964 5.168 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.124 -4.088 6.536 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.383 -5.596 5.950 1.00 0.00 H new ATOM 530 N PRO A 37 4.214 -2.522 7.614 1.00 0.00 N ATOM 531 CA PRO A 37 4.534 -1.608 8.708 1.00 0.00 C ATOM 532 C PRO A 37 5.807 -2.056 9.407 1.00 0.00 C ATOM 533 O PRO A 37 5.971 -3.218 9.776 1.00 0.00 O ATOM 534 CB PRO A 37 3.323 -1.755 9.629 1.00 0.00 C ATOM 535 CG PRO A 37 2.791 -3.158 9.343 1.00 0.00 C ATOM 536 CD PRO A 37 3.019 -3.334 7.843 1.00 0.00 C ATOM 0 HA PRO A 37 4.710 -0.580 8.391 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.605 -1.644 10.676 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.570 -0.995 9.419 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.324 -3.914 9.920 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.736 -3.246 9.600 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.179 -4.378 7.575 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.169 -2.982 7.258 1.00 0.00 H new ATOM 544 N LYS A 38 6.725 -1.127 9.595 1.00 0.00 N ATOM 545 CA LYS A 38 7.971 -1.497 10.262 1.00 0.00 C ATOM 546 C LYS A 38 7.695 -1.764 11.734 1.00 0.00 C ATOM 547 O LYS A 38 8.400 -2.487 12.436 1.00 0.00 O ATOM 548 CB LYS A 38 9.025 -0.401 10.075 1.00 0.00 C ATOM 549 CG LYS A 38 8.622 0.957 10.656 1.00 0.00 C ATOM 550 CD LYS A 38 9.738 1.970 10.413 1.00 0.00 C ATOM 551 CE LYS A 38 9.354 3.332 10.986 1.00 0.00 C ATOM 552 NZ LYS A 38 10.437 4.296 10.745 1.00 0.00 N ATOM 553 OXT LYS A 38 6.576 -1.106 12.172 1.00 0.00 O ATOM 0 H LYS A 38 6.646 -0.150 9.312 1.00 0.00 H new ATOM 0 HA LYS A 38 8.369 -2.408 9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.956 -0.723 10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.227 -0.284 9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.697 1.302 10.193 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.428 0.864 11.725 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.662 1.621 10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.930 2.059 9.344 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.432 3.684 10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.162 3.246 12.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.171 5.222 11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.308 3.962 11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.600 4.387 9.722 1.00 0.00 H new TER 567 LYS A 38