USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 441 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 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 22 TYR OH : rot -151:sc= 0.424 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0907 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 10 MET CE :methyl 179:sc= -3.76! (180deg=-3.78!) USER MOD Single : A 12 LYS NZ :NH3+ 154:sc= -0.0523 (180deg=-0.429) USER MOD Single : A 14 HIS : no HE2:sc= -6.36! C(o=-6.4!,f=-6.5!) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= -0.0442 (180deg=-0.365) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 25 THR OG1 : rot -130:sc= -0.986 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 33 MET CE :methyl 146:sc= -3.91! (180deg=-6!) USER MOD Single : A 35 LYS NZ :NH3+ 145:sc=-0.00769 (180deg=-1.41!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.548) USER MOD Single : A 57 THR OG1 : rot 82:sc= 0.726 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 44:sc= 0.458 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.566 -3.624 -18.724 1.00 0.00 N ATOM 2 CA GLY A 1 5.270 -3.959 -19.285 1.00 0.00 C ATOM 3 C GLY A 1 4.122 -3.483 -18.417 1.00 0.00 C ATOM 4 O GLY A 1 4.325 -2.725 -17.468 1.00 0.00 O ATOM 0 H1 GLY A 1 7.139 -3.134 -19.441 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.437 -3.003 -17.900 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.052 -4.495 -18.428 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.181 -3.514 -20.276 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.201 -5.039 -19.413 1.00 0.00 H new ATOM 8 N SER A 2 2.912 -3.927 -18.743 1.00 0.00 N ATOM 9 CA SER A 2 1.726 -3.537 -17.989 1.00 0.00 C ATOM 10 C SER A 2 1.609 -4.349 -16.703 1.00 0.00 C ATOM 11 O SER A 2 0.534 -4.846 -16.366 1.00 0.00 O ATOM 12 CB SER A 2 0.470 -3.725 -18.841 1.00 0.00 C ATOM 13 OG SER A 2 0.443 -2.807 -19.920 1.00 0.00 O ATOM 0 H SER A 2 2.727 -4.557 -19.524 1.00 0.00 H new ATOM 0 HA SER A 2 1.823 -2.484 -17.725 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.437 -4.744 -19.226 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.417 -3.589 -18.222 1.00 0.00 H new ATOM 0 HG SER A 2 -0.369 -2.949 -20.450 1.00 0.00 H new ATOM 19 N SER A 3 2.722 -4.480 -15.989 1.00 0.00 N ATOM 20 CA SER A 3 2.746 -5.235 -14.742 1.00 0.00 C ATOM 21 C SER A 3 2.195 -4.399 -13.590 1.00 0.00 C ATOM 22 O SER A 3 2.623 -3.267 -13.369 1.00 0.00 O ATOM 23 CB SER A 3 4.173 -5.687 -14.422 1.00 0.00 C ATOM 24 OG SER A 3 4.172 -6.768 -13.506 1.00 0.00 O ATOM 0 H SER A 3 3.619 -4.073 -16.253 1.00 0.00 H new ATOM 0 HA SER A 3 2.113 -6.114 -14.866 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.678 -5.985 -15.341 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.737 -4.853 -14.005 1.00 0.00 H new ATOM 0 HG SER A 3 5.095 -7.039 -13.319 1.00 0.00 H new ATOM 30 N GLY A 4 1.242 -4.967 -12.858 1.00 0.00 N ATOM 31 CA GLY A 4 0.647 -4.262 -11.738 1.00 0.00 C ATOM 32 C GLY A 4 1.585 -4.162 -10.552 1.00 0.00 C ATOM 33 O GLY A 4 2.610 -3.484 -10.617 1.00 0.00 O ATOM 0 H GLY A 4 0.871 -5.903 -13.021 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.359 -3.260 -12.055 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.266 -4.774 -11.433 1.00 0.00 H new ATOM 37 N SER A 5 1.233 -4.838 -9.463 1.00 0.00 N ATOM 38 CA SER A 5 2.048 -4.818 -8.254 1.00 0.00 C ATOM 39 C SER A 5 3.500 -5.159 -8.572 1.00 0.00 C ATOM 40 O SER A 5 3.814 -6.283 -8.966 1.00 0.00 O ATOM 41 CB SER A 5 1.495 -5.805 -7.224 1.00 0.00 C ATOM 42 OG SER A 5 0.125 -5.554 -6.962 1.00 0.00 O ATOM 0 H SER A 5 0.389 -5.406 -9.393 1.00 0.00 H new ATOM 0 HA SER A 5 2.012 -3.811 -7.838 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.618 -6.824 -7.590 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.066 -5.728 -6.299 1.00 0.00 H new ATOM 0 HG SER A 5 -0.205 -6.199 -6.302 1.00 0.00 H new ATOM 48 N SER A 6 4.383 -4.181 -8.399 1.00 0.00 N ATOM 49 CA SER A 6 5.803 -4.375 -8.672 1.00 0.00 C ATOM 50 C SER A 6 6.532 -4.870 -7.426 1.00 0.00 C ATOM 51 O SER A 6 7.132 -5.944 -7.430 1.00 0.00 O ATOM 52 CB SER A 6 6.433 -3.069 -9.161 1.00 0.00 C ATOM 53 OG SER A 6 6.116 -2.829 -10.521 1.00 0.00 O ATOM 0 H SER A 6 4.141 -3.246 -8.071 1.00 0.00 H new ATOM 0 HA SER A 6 5.899 -5.130 -9.452 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.079 -2.239 -8.550 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.515 -3.115 -9.039 1.00 0.00 H new ATOM 0 HG SER A 6 6.528 -1.988 -10.810 1.00 0.00 H new ATOM 59 N GLY A 7 6.476 -4.077 -6.360 1.00 0.00 N ATOM 60 CA GLY A 7 7.134 -4.450 -5.122 1.00 0.00 C ATOM 61 C GLY A 7 8.391 -3.641 -4.868 1.00 0.00 C ATOM 62 O GLY A 7 9.495 -4.074 -5.202 1.00 0.00 O ATOM 0 H GLY A 7 5.986 -3.183 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.443 -4.312 -4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.388 -5.510 -5.154 1.00 0.00 H new ATOM 66 N HIS A 8 8.225 -2.462 -4.276 1.00 0.00 N ATOM 67 CA HIS A 8 9.356 -1.590 -3.978 1.00 0.00 C ATOM 68 C HIS A 8 10.145 -2.114 -2.783 1.00 0.00 C ATOM 69 O HIS A 8 9.617 -2.811 -1.916 1.00 0.00 O ATOM 70 CB HIS A 8 8.870 -0.167 -3.700 1.00 0.00 C ATOM 71 CG HIS A 8 8.189 0.472 -4.871 1.00 0.00 C ATOM 72 ND1 HIS A 8 8.872 1.122 -5.876 1.00 0.00 N ATOM 73 CD2 HIS A 8 6.877 0.558 -5.193 1.00 0.00 C ATOM 74 CE1 HIS A 8 8.010 1.582 -6.766 1.00 0.00 C ATOM 75 NE2 HIS A 8 6.792 1.252 -6.375 1.00 0.00 N ATOM 0 H HIS A 8 7.319 -2.089 -3.993 1.00 0.00 H new ATOM 0 HA HIS A 8 10.013 -1.578 -4.847 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.181 -0.185 -2.855 1.00 0.00 H new ATOM 0 HB3 HIS A 8 9.720 0.448 -3.405 1.00 0.00 H new ATOM 0 HD2 HIS A 8 6.051 0.156 -4.626 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.259 2.134 -7.660 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.929 1.476 -6.870 1.00 0.00 H new ATOM 83 N PRO A 9 11.441 -1.772 -2.733 1.00 0.00 N ATOM 84 CA PRO A 9 12.331 -2.197 -1.648 1.00 0.00 C ATOM 85 C PRO A 9 11.999 -1.515 -0.325 1.00 0.00 C ATOM 86 O PRO A 9 10.996 -0.812 -0.213 1.00 0.00 O ATOM 87 CB PRO A 9 13.717 -1.769 -2.138 1.00 0.00 C ATOM 88 CG PRO A 9 13.456 -0.640 -3.074 1.00 0.00 C ATOM 89 CD PRO A 9 12.138 -0.943 -3.731 1.00 0.00 C ATOM 0 HA PRO A 9 12.246 -3.265 -1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 9 14.351 -1.457 -1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.230 -2.589 -2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.416 0.309 -2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.251 -0.556 -3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.582 -0.033 -3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.272 -1.475 -4.673 1.00 0.00 H new ATOM 97 N MET A 10 12.849 -1.728 0.674 1.00 0.00 N ATOM 98 CA MET A 10 12.646 -1.132 1.989 1.00 0.00 C ATOM 99 C MET A 10 12.069 0.275 1.865 1.00 0.00 C ATOM 100 O MET A 10 12.239 0.939 0.843 1.00 0.00 O ATOM 101 CB MET A 10 13.966 -1.087 2.762 1.00 0.00 C ATOM 102 CG MET A 10 14.634 -2.445 2.903 1.00 0.00 C ATOM 103 SD MET A 10 15.681 -2.556 4.366 1.00 0.00 S ATOM 104 CE MET A 10 14.575 -3.374 5.513 1.00 0.00 C ATOM 0 H MET A 10 13.684 -2.308 0.598 1.00 0.00 H new ATOM 0 HA MET A 10 11.934 -1.751 2.535 1.00 0.00 H new ATOM 0 HB2 MET A 10 14.650 -0.405 2.257 1.00 0.00 H new ATOM 0 HB3 MET A 10 13.782 -0.677 3.755 1.00 0.00 H new ATOM 0 HG2 MET A 10 13.868 -3.219 2.950 1.00 0.00 H new ATOM 0 HG3 MET A 10 15.235 -2.644 2.015 1.00 0.00 H new ATOM 0 HE1 MET A 10 15.086 -3.530 6.463 1.00 0.00 H new ATOM 0 HE2 MET A 10 13.693 -2.754 5.673 1.00 0.00 H new ATOM 0 HE3 MET A 10 14.271 -4.337 5.102 1.00 0.00 H new ATOM 114 N CYS A 11 11.384 0.723 2.912 1.00 0.00 N ATOM 115 CA CYS A 11 10.780 2.050 2.921 1.00 0.00 C ATOM 116 C CYS A 11 11.851 3.135 2.863 1.00 0.00 C ATOM 117 O CYS A 11 12.769 3.162 3.684 1.00 0.00 O ATOM 118 CB CYS A 11 9.919 2.233 4.172 1.00 0.00 C ATOM 119 SG CYS A 11 8.830 3.692 4.118 1.00 0.00 S ATOM 0 H CYS A 11 11.233 0.186 3.766 1.00 0.00 H new ATOM 0 HA CYS A 11 10.148 2.141 2.038 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.308 1.342 4.313 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.572 2.312 5.041 1.00 0.00 H new ATOM 124 N LYS A 12 11.727 4.030 1.889 1.00 0.00 N ATOM 125 CA LYS A 12 12.682 5.119 1.724 1.00 0.00 C ATOM 126 C LYS A 12 12.721 6.002 2.967 1.00 0.00 C ATOM 127 O LYS A 12 13.760 6.134 3.613 1.00 0.00 O ATOM 128 CB LYS A 12 12.320 5.961 0.498 1.00 0.00 C ATOM 129 CG LYS A 12 12.539 5.241 -0.821 1.00 0.00 C ATOM 130 CD LYS A 12 13.946 5.462 -1.350 1.00 0.00 C ATOM 131 CE LYS A 12 14.865 4.304 -0.990 1.00 0.00 C ATOM 132 NZ LYS A 12 14.464 3.044 -1.675 1.00 0.00 N ATOM 0 H LYS A 12 10.974 4.022 1.201 1.00 0.00 H new ATOM 0 HA LYS A 12 13.670 4.683 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.274 6.261 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.915 6.874 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.363 4.174 -0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.814 5.594 -1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.914 5.580 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.349 6.388 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.890 4.555 -1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.851 4.151 0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.294 2.426 -1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.739 2.558 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.079 3.267 -2.615 1.00 0.00 H new ATOM 146 N GLU A 13 11.582 6.603 3.296 1.00 0.00 N ATOM 147 CA GLU A 13 11.487 7.473 4.463 1.00 0.00 C ATOM 148 C GLU A 13 12.209 6.859 5.659 1.00 0.00 C ATOM 149 O GLU A 13 13.181 7.420 6.167 1.00 0.00 O ATOM 150 CB GLU A 13 10.021 7.732 4.816 1.00 0.00 C ATOM 151 CG GLU A 13 9.364 8.791 3.947 1.00 0.00 C ATOM 152 CD GLU A 13 9.449 8.467 2.468 1.00 0.00 C ATOM 153 OE1 GLU A 13 8.872 7.442 2.050 1.00 0.00 O ATOM 154 OE2 GLU A 13 10.094 9.241 1.729 1.00 0.00 O ATOM 0 H GLU A 13 10.713 6.504 2.772 1.00 0.00 H new ATOM 0 HA GLU A 13 11.967 8.421 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.463 6.800 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.956 8.039 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.317 8.892 4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.840 9.754 4.132 1.00 0.00 H new ATOM 161 N HIS A 14 11.727 5.703 6.104 1.00 0.00 N ATOM 162 CA HIS A 14 12.326 5.012 7.241 1.00 0.00 C ATOM 163 C HIS A 14 13.799 4.713 6.980 1.00 0.00 C ATOM 164 O HIS A 14 14.362 5.150 5.977 1.00 0.00 O ATOM 165 CB HIS A 14 11.573 3.713 7.529 1.00 0.00 C ATOM 166 CG HIS A 14 10.223 3.926 8.142 1.00 0.00 C ATOM 167 ND1 HIS A 14 9.430 5.017 7.856 1.00 0.00 N ATOM 168 CD2 HIS A 14 9.526 3.178 9.030 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.305 4.932 8.543 1.00 0.00 C ATOM 170 NE2 HIS A 14 8.338 3.825 9.263 1.00 0.00 N ATOM 0 H HIS A 14 10.924 5.225 5.695 1.00 0.00 H new ATOM 0 HA HIS A 14 12.255 5.665 8.111 1.00 0.00 H new ATOM 0 HB2 HIS A 14 11.457 3.156 6.599 1.00 0.00 H new ATOM 0 HB3 HIS A 14 12.173 3.095 8.197 1.00 0.00 H new ATOM 0 HD1 HIS A 14 9.674 5.772 7.214 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.845 2.246 9.472 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.495 5.646 8.520 1.00 0.00 H new ATOM 178 N GLU A 15 14.417 3.968 7.891 1.00 0.00 N ATOM 179 CA GLU A 15 15.825 3.613 7.759 1.00 0.00 C ATOM 180 C GLU A 15 16.005 2.098 7.742 1.00 0.00 C ATOM 181 O GLU A 15 16.167 1.469 8.788 1.00 0.00 O ATOM 182 CB GLU A 15 16.636 4.221 8.906 1.00 0.00 C ATOM 183 CG GLU A 15 17.181 5.605 8.598 1.00 0.00 C ATOM 184 CD GLU A 15 18.418 5.938 9.409 1.00 0.00 C ATOM 185 OE1 GLU A 15 18.493 5.514 10.581 1.00 0.00 O ATOM 186 OE2 GLU A 15 19.313 6.624 8.871 1.00 0.00 O ATOM 0 H GLU A 15 13.965 3.599 8.728 1.00 0.00 H new ATOM 0 HA GLU A 15 16.188 4.015 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.007 4.277 9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.467 3.557 9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.419 5.670 7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.409 6.348 8.798 1.00 0.00 H new ATOM 193 N ASP A 16 15.975 1.518 6.547 1.00 0.00 N ATOM 194 CA ASP A 16 16.135 0.077 6.391 1.00 0.00 C ATOM 195 C ASP A 16 15.198 -0.678 7.329 1.00 0.00 C ATOM 196 O ASP A 16 15.596 -1.652 7.967 1.00 0.00 O ATOM 197 CB ASP A 16 17.585 -0.329 6.663 1.00 0.00 C ATOM 198 CG ASP A 16 17.962 -0.183 8.124 1.00 0.00 C ATOM 199 OD1 ASP A 16 17.743 -1.143 8.893 1.00 0.00 O ATOM 200 OD2 ASP A 16 18.478 0.891 8.499 1.00 0.00 O ATOM 0 H ASP A 16 15.841 2.024 5.672 1.00 0.00 H new ATOM 0 HA ASP A 16 15.879 -0.183 5.364 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.734 -1.364 6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 16 18.251 0.284 6.056 1.00 0.00 H new ATOM 205 N GLU A 17 13.952 -0.221 7.407 1.00 0.00 N ATOM 206 CA GLU A 17 12.960 -0.852 8.268 1.00 0.00 C ATOM 207 C GLU A 17 12.034 -1.757 7.459 1.00 0.00 C ATOM 208 O GLU A 17 11.081 -1.291 6.836 1.00 0.00 O ATOM 209 CB GLU A 17 12.139 0.210 9.002 1.00 0.00 C ATOM 210 CG GLU A 17 12.751 0.646 10.323 1.00 0.00 C ATOM 211 CD GLU A 17 12.920 -0.505 11.296 1.00 0.00 C ATOM 212 OE1 GLU A 17 11.957 -0.807 12.032 1.00 0.00 O ATOM 213 OE2 GLU A 17 14.015 -1.104 11.321 1.00 0.00 O ATOM 0 H GLU A 17 13.606 0.584 6.884 1.00 0.00 H new ATOM 0 HA GLU A 17 13.488 -1.463 9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.028 1.082 8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.138 -0.180 9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.722 1.104 10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.120 1.411 10.777 1.00 0.00 H new ATOM 220 N LYS A 18 12.324 -3.054 7.474 1.00 0.00 N ATOM 221 CA LYS A 18 11.519 -4.026 6.743 1.00 0.00 C ATOM 222 C LYS A 18 10.054 -3.601 6.706 1.00 0.00 C ATOM 223 O LYS A 18 9.391 -3.535 7.742 1.00 0.00 O ATOM 224 CB LYS A 18 11.644 -5.409 7.387 1.00 0.00 C ATOM 225 CG LYS A 18 13.072 -5.923 7.450 1.00 0.00 C ATOM 226 CD LYS A 18 13.120 -7.441 7.395 1.00 0.00 C ATOM 227 CE LYS A 18 14.476 -7.971 7.835 1.00 0.00 C ATOM 228 NZ LYS A 18 14.730 -7.714 9.280 1.00 0.00 N ATOM 0 H LYS A 18 13.110 -3.456 7.984 1.00 0.00 H new ATOM 0 HA LYS A 18 11.891 -4.073 5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.236 -5.369 8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.036 -6.118 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.646 -5.509 6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.545 -5.576 8.369 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.341 -7.854 8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.909 -7.776 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.527 -9.043 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.260 -7.502 7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.459 -8.370 9.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.057 -6.735 9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.851 -7.857 9.818 1.00 0.00 H new ATOM 242 N ILE A 19 9.556 -3.316 5.508 1.00 0.00 N ATOM 243 CA ILE A 19 8.169 -2.901 5.337 1.00 0.00 C ATOM 244 C ILE A 19 7.240 -3.701 6.244 1.00 0.00 C ATOM 245 O ILE A 19 7.330 -4.926 6.317 1.00 0.00 O ATOM 246 CB ILE A 19 7.708 -3.065 3.876 1.00 0.00 C ATOM 247 CG1 ILE A 19 8.627 -2.280 2.938 1.00 0.00 C ATOM 248 CG2 ILE A 19 6.266 -2.605 3.721 1.00 0.00 C ATOM 249 CD1 ILE A 19 8.578 -0.784 3.156 1.00 0.00 C ATOM 0 H ILE A 19 10.092 -3.365 4.641 1.00 0.00 H new ATOM 0 HA ILE A 19 8.119 -1.847 5.609 1.00 0.00 H new ATOM 0 HB ILE A 19 7.763 -4.120 3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.652 -2.625 3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.351 -2.498 1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.955 -2.727 2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.622 -3.203 4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.187 -1.555 4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.254 -0.292 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.562 -0.425 2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.883 -0.555 4.177 1.00 0.00 H new ATOM 261 N ASN A 20 6.346 -2.999 6.932 1.00 0.00 N ATOM 262 CA ASN A 20 5.398 -3.644 7.834 1.00 0.00 C ATOM 263 C ASN A 20 4.117 -4.021 7.097 1.00 0.00 C ATOM 264 O ASN A 20 3.748 -5.194 7.034 1.00 0.00 O ATOM 265 CB ASN A 20 5.071 -2.720 9.009 1.00 0.00 C ATOM 266 CG ASN A 20 6.312 -2.282 9.763 1.00 0.00 C ATOM 267 OD1 ASN A 20 7.223 -3.076 9.995 1.00 0.00 O ATOM 268 ND2 ASN A 20 6.352 -1.012 10.149 1.00 0.00 N ATOM 0 H ASN A 20 6.258 -1.984 6.883 1.00 0.00 H new ATOM 0 HA ASN A 20 5.859 -4.556 8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.544 -1.840 8.640 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.395 -3.233 9.694 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.161 -0.659 10.660 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.573 -0.389 9.935 1.00 0.00 H new ATOM 275 N ILE A 21 3.443 -3.020 6.542 1.00 0.00 N ATOM 276 CA ILE A 21 2.204 -3.247 5.808 1.00 0.00 C ATOM 277 C ILE A 21 2.368 -2.899 4.332 1.00 0.00 C ATOM 278 O ILE A 21 3.412 -2.399 3.913 1.00 0.00 O ATOM 279 CB ILE A 21 1.044 -2.420 6.393 1.00 0.00 C ATOM 280 CG1 ILE A 21 1.394 -0.931 6.385 1.00 0.00 C ATOM 281 CG2 ILE A 21 0.721 -2.887 7.805 1.00 0.00 C ATOM 282 CD1 ILE A 21 0.256 -0.040 6.830 1.00 0.00 C ATOM 0 H ILE A 21 3.734 -2.043 6.586 1.00 0.00 H new ATOM 0 HA ILE A 21 1.969 -4.307 5.905 1.00 0.00 H new ATOM 0 HB ILE A 21 0.161 -2.569 5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.251 -0.764 7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.698 -0.643 5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.101 -2.293 8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.433 -3.938 7.784 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.599 -2.765 8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.576 1.002 6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.596 -0.178 6.164 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.034 -0.301 7.848 1.00 0.00 H new ATOM 294 N TYR A 22 1.328 -3.165 3.549 1.00 0.00 N ATOM 295 CA TYR A 22 1.356 -2.880 2.119 1.00 0.00 C ATOM 296 C TYR A 22 0.192 -1.979 1.720 1.00 0.00 C ATOM 297 O TYR A 22 -0.963 -2.255 2.046 1.00 0.00 O ATOM 298 CB TYR A 22 1.306 -4.182 1.318 1.00 0.00 C ATOM 299 CG TYR A 22 0.913 -3.987 -0.129 1.00 0.00 C ATOM 300 CD1 TYR A 22 1.870 -3.718 -1.099 1.00 0.00 C ATOM 301 CD2 TYR A 22 -0.415 -4.075 -0.526 1.00 0.00 C ATOM 302 CE1 TYR A 22 1.516 -3.538 -2.422 1.00 0.00 C ATOM 303 CE2 TYR A 22 -0.779 -3.898 -1.847 1.00 0.00 C ATOM 304 CZ TYR A 22 0.190 -3.630 -2.792 1.00 0.00 C ATOM 305 OH TYR A 22 -0.167 -3.453 -4.109 1.00 0.00 O ATOM 0 H TYR A 22 0.456 -3.577 3.880 1.00 0.00 H new ATOM 0 HA TYR A 22 2.287 -2.359 1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.284 -4.662 1.359 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.597 -4.862 1.790 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.909 -3.648 -0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.176 -4.285 0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.273 -3.326 -3.163 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.817 -3.969 -2.138 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.079 -3.098 -4.156 1.00 0.00 H new ATOM 315 N CYS A 23 0.504 -0.899 1.011 1.00 0.00 N ATOM 316 CA CYS A 23 -0.514 0.045 0.566 1.00 0.00 C ATOM 317 C CYS A 23 -1.234 -0.477 -0.675 1.00 0.00 C ATOM 318 O CYS A 23 -0.663 -1.226 -1.468 1.00 0.00 O ATOM 319 CB CYS A 23 0.117 1.406 0.269 1.00 0.00 C ATOM 320 SG CYS A 23 -1.081 2.774 0.164 1.00 0.00 S ATOM 0 H CYS A 23 1.455 -0.656 0.732 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.244 0.159 1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.846 1.634 1.047 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.664 1.343 -0.672 1.00 0.00 H new ATOM 325 N LEU A 24 -2.490 -0.075 -0.836 1.00 0.00 N ATOM 326 CA LEU A 24 -3.288 -0.501 -1.980 1.00 0.00 C ATOM 327 C LEU A 24 -3.531 0.662 -2.937 1.00 0.00 C ATOM 328 O LEU A 24 -3.132 0.616 -4.101 1.00 0.00 O ATOM 329 CB LEU A 24 -4.625 -1.076 -1.508 1.00 0.00 C ATOM 330 CG LEU A 24 -4.571 -2.466 -0.873 1.00 0.00 C ATOM 331 CD1 LEU A 24 -3.338 -2.603 0.006 1.00 0.00 C ATOM 332 CD2 LEU A 24 -5.835 -2.733 -0.068 1.00 0.00 C ATOM 0 H LEU A 24 -2.977 0.545 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.734 -1.275 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.060 -0.385 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.303 -1.114 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.508 -3.207 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.316 -3.598 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.443 -2.455 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.370 -1.854 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.780 -3.727 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.928 -1.987 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.703 -2.677 -0.725 1.00 0.00 H new ATOM 344 N THR A 25 -4.187 1.705 -2.439 1.00 0.00 N ATOM 345 CA THR A 25 -4.482 2.880 -3.248 1.00 0.00 C ATOM 346 C THR A 25 -3.385 3.129 -4.277 1.00 0.00 C ATOM 347 O THR A 25 -3.616 3.036 -5.482 1.00 0.00 O ATOM 348 CB THR A 25 -4.646 4.138 -2.374 1.00 0.00 C ATOM 349 OG1 THR A 25 -5.775 3.988 -1.506 1.00 0.00 O ATOM 350 CG2 THR A 25 -4.826 5.378 -3.238 1.00 0.00 C ATOM 0 H THR A 25 -4.524 1.760 -1.478 1.00 0.00 H new ATOM 0 HA THR A 25 -5.421 2.680 -3.764 1.00 0.00 H new ATOM 0 HB THR A 25 -3.742 4.258 -1.777 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.346 4.781 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.940 6.253 -2.599 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.952 5.506 -3.877 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.715 5.263 -3.858 1.00 0.00 H new ATOM 358 N CYS A 26 -2.188 3.446 -3.793 1.00 0.00 N ATOM 359 CA CYS A 26 -1.053 3.709 -4.670 1.00 0.00 C ATOM 360 C CYS A 26 -0.403 2.405 -5.122 1.00 0.00 C ATOM 361 O CYS A 26 0.399 2.391 -6.056 1.00 0.00 O ATOM 362 CB CYS A 26 -0.022 4.585 -3.956 1.00 0.00 C ATOM 363 SG CYS A 26 0.498 3.947 -2.331 1.00 0.00 S ATOM 0 H CYS A 26 -1.979 3.527 -2.798 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.420 4.237 -5.550 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.857 4.686 -4.593 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.438 5.584 -3.826 1.00 0.00 H new ATOM 368 N GLU A 27 -0.755 1.311 -4.454 1.00 0.00 N ATOM 369 CA GLU A 27 -0.204 0.002 -4.787 1.00 0.00 C ATOM 370 C GLU A 27 1.298 -0.039 -4.523 1.00 0.00 C ATOM 371 O GLU A 27 2.084 -0.400 -5.399 1.00 0.00 O ATOM 372 CB GLU A 27 -0.485 -0.335 -6.253 1.00 0.00 C ATOM 373 CG GLU A 27 -1.964 -0.363 -6.598 1.00 0.00 C ATOM 374 CD GLU A 27 -2.660 -1.610 -6.087 1.00 0.00 C ATOM 375 OE1 GLU A 27 -1.980 -2.644 -5.924 1.00 0.00 O ATOM 376 OE2 GLU A 27 -3.885 -1.550 -5.851 1.00 0.00 O ATOM 0 H GLU A 27 -1.419 1.305 -3.680 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.687 -0.740 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.014 0.398 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.048 -1.307 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.448 0.517 -6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.082 -0.303 -7.680 1.00 0.00 H new ATOM 383 N VAL A 28 1.690 0.333 -3.309 1.00 0.00 N ATOM 384 CA VAL A 28 3.098 0.338 -2.928 1.00 0.00 C ATOM 385 C VAL A 28 3.283 -0.172 -1.503 1.00 0.00 C ATOM 386 O VAL A 28 2.621 0.275 -0.566 1.00 0.00 O ATOM 387 CB VAL A 28 3.704 1.750 -3.039 1.00 0.00 C ATOM 388 CG1 VAL A 28 3.357 2.376 -4.381 1.00 0.00 C ATOM 389 CG2 VAL A 28 3.225 2.627 -1.892 1.00 0.00 C ATOM 0 H VAL A 28 1.053 0.635 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 28 3.616 -0.327 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 28 4.789 1.667 -2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.794 3.373 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.755 1.757 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.274 2.448 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.663 3.621 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.138 2.705 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.530 2.185 -0.944 1.00 0.00 H new ATOM 399 N PRO A 29 4.206 -1.131 -1.334 1.00 0.00 N ATOM 400 CA PRO A 29 4.502 -1.722 -0.026 1.00 0.00 C ATOM 401 C PRO A 29 5.205 -0.743 0.908 1.00 0.00 C ATOM 402 O PRO A 29 6.435 -0.690 0.958 1.00 0.00 O ATOM 403 CB PRO A 29 5.426 -2.894 -0.367 1.00 0.00 C ATOM 404 CG PRO A 29 6.062 -2.511 -1.658 1.00 0.00 C ATOM 405 CD PRO A 29 5.032 -1.710 -2.406 1.00 0.00 C ATOM 0 HA PRO A 29 3.595 -2.016 0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.173 -3.049 0.412 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.867 -3.825 -0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.965 -1.925 -1.489 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.357 -3.394 -2.225 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.493 -0.937 -3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.442 -2.338 -3.074 1.00 0.00 H new ATOM 413 N THR A 30 4.418 0.032 1.648 1.00 0.00 N ATOM 414 CA THR A 30 4.966 1.009 2.579 1.00 0.00 C ATOM 415 C THR A 30 4.615 0.653 4.020 1.00 0.00 C ATOM 416 O THR A 30 3.572 0.055 4.286 1.00 0.00 O ATOM 417 CB THR A 30 4.450 2.428 2.273 1.00 0.00 C ATOM 418 OG1 THR A 30 5.257 3.400 2.947 1.00 0.00 O ATOM 419 CG2 THR A 30 2.999 2.580 2.704 1.00 0.00 C ATOM 0 H THR A 30 3.399 0.001 1.620 1.00 0.00 H new ATOM 0 HA THR A 30 6.049 0.990 2.456 1.00 0.00 H new ATOM 0 HB THR A 30 4.512 2.589 1.197 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.923 4.299 2.745 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.656 3.590 2.478 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.383 1.859 2.167 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.917 2.400 3.776 1.00 0.00 H new ATOM 427 N CYS A 31 5.492 1.025 4.946 1.00 0.00 N ATOM 428 CA CYS A 31 5.275 0.745 6.361 1.00 0.00 C ATOM 429 C CYS A 31 3.906 1.247 6.811 1.00 0.00 C ATOM 430 O CYS A 31 3.104 1.705 5.998 1.00 0.00 O ATOM 431 CB CYS A 31 6.372 1.397 7.205 1.00 0.00 C ATOM 432 SG CYS A 31 6.321 3.218 7.213 1.00 0.00 S ATOM 0 H CYS A 31 6.360 1.521 4.742 1.00 0.00 H new ATOM 0 HA CYS A 31 5.311 -0.335 6.502 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.288 1.037 8.231 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.344 1.073 6.832 1.00 0.00 H new ATOM 437 N SER A 32 3.647 1.156 8.111 1.00 0.00 N ATOM 438 CA SER A 32 2.375 1.597 8.670 1.00 0.00 C ATOM 439 C SER A 32 2.485 3.017 9.218 1.00 0.00 C ATOM 440 O SER A 32 1.574 3.828 9.056 1.00 0.00 O ATOM 441 CB SER A 32 1.922 0.644 9.778 1.00 0.00 C ATOM 442 OG SER A 32 0.540 0.798 10.050 1.00 0.00 O ATOM 0 H SER A 32 4.302 0.781 8.797 1.00 0.00 H new ATOM 0 HA SER A 32 1.634 1.591 7.871 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.125 -0.385 9.482 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.498 0.835 10.684 1.00 0.00 H new ATOM 0 HG SER A 32 0.275 0.177 10.760 1.00 0.00 H new ATOM 448 N MET A 33 3.607 3.308 9.867 1.00 0.00 N ATOM 449 CA MET A 33 3.837 4.630 10.439 1.00 0.00 C ATOM 450 C MET A 33 3.617 5.720 9.395 1.00 0.00 C ATOM 451 O MET A 33 3.010 6.753 9.679 1.00 0.00 O ATOM 452 CB MET A 33 5.257 4.726 11.001 1.00 0.00 C ATOM 453 CG MET A 33 5.444 3.974 12.309 1.00 0.00 C ATOM 454 SD MET A 33 5.749 2.214 12.062 1.00 0.00 S ATOM 455 CE MET A 33 4.106 1.547 12.318 1.00 0.00 C ATOM 0 H MET A 33 4.371 2.647 10.010 1.00 0.00 H new ATOM 0 HA MET A 33 3.122 4.777 11.249 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.958 4.336 10.263 1.00 0.00 H new ATOM 0 HB3 MET A 33 5.508 5.775 11.155 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.279 4.410 12.858 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.555 4.101 12.927 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.958 0.685 11.667 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.996 1.240 13.358 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.363 2.310 12.085 1.00 0.00 H new ATOM 465 N CYS A 34 4.114 5.483 8.185 1.00 0.00 N ATOM 466 CA CYS A 34 3.972 6.444 7.098 1.00 0.00 C ATOM 467 C CYS A 34 2.515 6.560 6.661 1.00 0.00 C ATOM 468 O CYS A 34 2.156 7.446 5.884 1.00 0.00 O ATOM 469 CB CYS A 34 4.842 6.032 5.909 1.00 0.00 C ATOM 470 SG CYS A 34 6.625 6.304 6.162 1.00 0.00 S ATOM 0 H CYS A 34 4.619 4.633 7.933 1.00 0.00 H new ATOM 0 HA CYS A 34 4.302 7.417 7.461 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.673 4.976 5.698 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.522 6.589 5.028 1.00 0.00 H new ATOM 475 N LYS A 35 1.678 5.659 7.165 1.00 0.00 N ATOM 476 CA LYS A 35 0.260 5.659 6.829 1.00 0.00 C ATOM 477 C LYS A 35 -0.550 6.403 7.886 1.00 0.00 C ATOM 478 O LYS A 35 -1.419 7.212 7.562 1.00 0.00 O ATOM 479 CB LYS A 35 -0.254 4.224 6.694 1.00 0.00 C ATOM 480 CG LYS A 35 -1.724 4.137 6.320 1.00 0.00 C ATOM 481 CD LYS A 35 -2.620 4.461 7.503 1.00 0.00 C ATOM 482 CE LYS A 35 -3.947 3.723 7.415 1.00 0.00 C ATOM 483 NZ LYS A 35 -4.601 3.597 8.747 1.00 0.00 N ATOM 0 H LYS A 35 1.958 4.919 7.808 1.00 0.00 H new ATOM 0 HA LYS A 35 0.139 6.173 5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.336 3.705 5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.096 3.700 7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.934 4.828 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.949 3.135 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.113 4.191 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.801 5.535 7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.612 4.252 6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.783 2.730 6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.633 3.663 8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.357 2.678 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.271 4.362 9.370 1.00 0.00 H new ATOM 497 N VAL A 36 -0.257 6.125 9.153 1.00 0.00 N ATOM 498 CA VAL A 36 -0.956 6.770 10.258 1.00 0.00 C ATOM 499 C VAL A 36 -0.352 8.134 10.570 1.00 0.00 C ATOM 500 O VAL A 36 -1.014 9.004 11.135 1.00 0.00 O ATOM 501 CB VAL A 36 -0.918 5.901 11.530 1.00 0.00 C ATOM 502 CG1 VAL A 36 -1.620 4.574 11.291 1.00 0.00 C ATOM 503 CG2 VAL A 36 0.519 5.680 11.980 1.00 0.00 C ATOM 0 H VAL A 36 0.459 5.458 9.439 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.992 6.898 9.945 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.448 6.426 12.325 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.583 3.974 12.200 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.660 4.756 11.019 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.121 4.039 10.483 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.528 5.064 12.879 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.074 5.175 11.189 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.985 6.642 12.194 1.00 0.00 H new ATOM 513 N PHE A 37 0.911 8.315 10.196 1.00 0.00 N ATOM 514 CA PHE A 37 1.606 9.574 10.436 1.00 0.00 C ATOM 515 C PHE A 37 2.099 10.181 9.126 1.00 0.00 C ATOM 516 O PHE A 37 1.929 11.374 8.879 1.00 0.00 O ATOM 517 CB PHE A 37 2.786 9.357 11.386 1.00 0.00 C ATOM 518 CG PHE A 37 2.398 8.713 12.686 1.00 0.00 C ATOM 519 CD1 PHE A 37 1.583 9.378 13.588 1.00 0.00 C ATOM 520 CD2 PHE A 37 2.848 7.442 13.006 1.00 0.00 C ATOM 521 CE1 PHE A 37 1.225 8.788 14.785 1.00 0.00 C ATOM 522 CE2 PHE A 37 2.493 6.847 14.202 1.00 0.00 C ATOM 523 CZ PHE A 37 1.679 7.520 15.092 1.00 0.00 C ATOM 0 H PHE A 37 1.473 7.606 9.726 1.00 0.00 H new ATOM 0 HA PHE A 37 0.901 10.267 10.895 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.532 8.736 10.890 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.258 10.318 11.592 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.223 10.369 13.353 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.483 6.910 12.313 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.591 9.318 15.480 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.852 5.857 14.440 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.398 7.056 16.026 1.00 0.00 H new ATOM 533 N GLY A 38 2.712 9.350 8.288 1.00 0.00 N ATOM 534 CA GLY A 38 3.221 9.822 7.014 1.00 0.00 C ATOM 535 C GLY A 38 2.155 10.508 6.182 1.00 0.00 C ATOM 536 O GLY A 38 1.089 10.854 6.691 1.00 0.00 O ATOM 0 H GLY A 38 2.865 8.358 8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.043 10.516 7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.628 8.980 6.454 1.00 0.00 H new ATOM 540 N ILE A 39 2.445 10.708 4.901 1.00 0.00 N ATOM 541 CA ILE A 39 1.503 11.358 3.998 1.00 0.00 C ATOM 542 C ILE A 39 0.473 10.365 3.469 1.00 0.00 C ATOM 543 O ILE A 39 -0.552 10.756 2.910 1.00 0.00 O ATOM 544 CB ILE A 39 2.226 12.014 2.807 1.00 0.00 C ATOM 545 CG1 ILE A 39 2.607 10.956 1.768 1.00 0.00 C ATOM 546 CG2 ILE A 39 3.461 12.763 3.285 1.00 0.00 C ATOM 547 CD1 ILE A 39 3.657 9.982 2.255 1.00 0.00 C ATOM 0 H ILE A 39 3.324 10.430 4.465 1.00 0.00 H new ATOM 0 HA ILE A 39 0.996 12.131 4.575 1.00 0.00 H new ATOM 0 HB ILE A 39 1.549 12.729 2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.713 10.401 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.974 11.455 0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.961 13.221 2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.165 13.538 3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.142 12.067 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.878 9.261 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.565 10.526 2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.285 9.456 3.134 1.00 0.00 H new ATOM 559 N HIS A 40 0.752 9.078 3.651 1.00 0.00 N ATOM 560 CA HIS A 40 -0.151 8.028 3.195 1.00 0.00 C ATOM 561 C HIS A 40 -1.412 7.984 4.053 1.00 0.00 C ATOM 562 O HIS A 40 -1.656 7.011 4.767 1.00 0.00 O ATOM 563 CB HIS A 40 0.551 6.671 3.230 1.00 0.00 C ATOM 564 CG HIS A 40 1.552 6.485 2.131 1.00 0.00 C ATOM 565 ND1 HIS A 40 1.224 5.975 0.893 1.00 0.00 N ATOM 566 CD2 HIS A 40 2.879 6.747 2.088 1.00 0.00 C ATOM 567 CE1 HIS A 40 2.306 5.929 0.137 1.00 0.00 C ATOM 568 NE2 HIS A 40 3.324 6.392 0.839 1.00 0.00 N ATOM 0 H HIS A 40 1.596 8.738 4.111 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.439 8.253 2.168 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.053 6.556 4.191 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.198 5.882 3.165 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.477 7.159 2.888 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.351 5.573 -0.882 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.285 6.473 0.507 1.00 0.00 H new ATOM 576 N LYS A 41 -2.208 9.045 3.980 1.00 0.00 N ATOM 577 CA LYS A 41 -3.444 9.129 4.750 1.00 0.00 C ATOM 578 C LYS A 41 -4.652 8.809 3.875 1.00 0.00 C ATOM 579 O LYS A 41 -5.590 8.146 4.315 1.00 0.00 O ATOM 580 CB LYS A 41 -3.596 10.525 5.358 1.00 0.00 C ATOM 581 CG LYS A 41 -2.503 10.878 6.352 1.00 0.00 C ATOM 582 CD LYS A 41 -2.921 12.025 7.257 1.00 0.00 C ATOM 583 CE LYS A 41 -1.716 12.706 7.886 1.00 0.00 C ATOM 584 NZ LYS A 41 -2.100 13.541 9.058 1.00 0.00 N ATOM 0 H LYS A 41 -2.020 9.859 3.395 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.394 8.394 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.598 11.263 4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.563 10.592 5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.265 10.004 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.595 11.150 5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.493 12.753 6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.579 11.650 8.041 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.994 11.951 8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.222 13.330 7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.251 13.988 9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.769 14.277 8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.549 12.941 9.780 1.00 0.00 H new ATOM 598 N ALA A 42 -4.621 9.285 2.635 1.00 0.00 N ATOM 599 CA ALA A 42 -5.712 9.046 1.698 1.00 0.00 C ATOM 600 C ALA A 42 -5.543 7.708 0.987 1.00 0.00 C ATOM 601 O ALA A 42 -5.939 7.552 -0.169 1.00 0.00 O ATOM 602 CB ALA A 42 -5.794 10.178 0.684 1.00 0.00 C ATOM 0 H ALA A 42 -3.853 9.838 2.256 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.643 9.011 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.613 9.987 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.971 11.120 1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.857 10.239 0.131 1.00 0.00 H new ATOM 608 N CYS A 43 -4.950 6.744 1.684 1.00 0.00 N ATOM 609 CA CYS A 43 -4.727 5.418 1.119 1.00 0.00 C ATOM 610 C CYS A 43 -5.383 4.343 1.979 1.00 0.00 C ATOM 611 O CYS A 43 -5.940 4.635 3.037 1.00 0.00 O ATOM 612 CB CYS A 43 -3.227 5.141 0.993 1.00 0.00 C ATOM 613 SG CYS A 43 -2.432 5.980 -0.415 1.00 0.00 S ATOM 0 H CYS A 43 -4.615 6.856 2.641 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.180 5.391 0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.732 5.451 1.913 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.074 4.066 0.895 1.00 0.00 H new ATOM 618 N GLU A 44 -5.313 3.098 1.517 1.00 0.00 N ATOM 619 CA GLU A 44 -5.901 1.980 2.244 1.00 0.00 C ATOM 620 C GLU A 44 -4.929 0.806 2.316 1.00 0.00 C ATOM 621 O GLU A 44 -4.723 0.095 1.332 1.00 0.00 O ATOM 622 CB GLU A 44 -7.204 1.537 1.576 1.00 0.00 C ATOM 623 CG GLU A 44 -7.013 0.989 0.172 1.00 0.00 C ATOM 624 CD GLU A 44 -8.278 1.062 -0.661 1.00 0.00 C ATOM 625 OE1 GLU A 44 -9.335 0.610 -0.173 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.211 1.570 -1.799 1.00 0.00 O ATOM 0 H GLU A 44 -4.855 2.839 0.643 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.117 2.314 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.678 0.774 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.888 2.385 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.221 1.548 -0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.682 -0.048 0.233 1.00 0.00 H new ATOM 633 N VAL A 45 -4.333 0.609 3.488 1.00 0.00 N ATOM 634 CA VAL A 45 -3.383 -0.478 3.689 1.00 0.00 C ATOM 635 C VAL A 45 -4.091 -1.751 4.140 1.00 0.00 C ATOM 636 O VAL A 45 -5.189 -1.699 4.693 1.00 0.00 O ATOM 637 CB VAL A 45 -2.313 -0.102 4.732 1.00 0.00 C ATOM 638 CG1 VAL A 45 -1.481 1.074 4.244 1.00 0.00 C ATOM 639 CG2 VAL A 45 -2.962 0.212 6.071 1.00 0.00 C ATOM 0 H VAL A 45 -4.492 1.188 4.312 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.898 -0.656 2.729 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.648 -0.955 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.731 1.325 4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.986 0.807 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.129 1.934 4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.192 0.475 6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.651 1.048 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.509 -0.662 6.424 1.00 0.00 H new ATOM 649 N ALA A 46 -3.454 -2.892 3.900 1.00 0.00 N ATOM 650 CA ALA A 46 -4.022 -4.179 4.284 1.00 0.00 C ATOM 651 C ALA A 46 -3.009 -5.018 5.055 1.00 0.00 C ATOM 652 O ALA A 46 -1.819 -4.705 5.107 1.00 0.00 O ATOM 653 CB ALA A 46 -4.506 -4.930 3.053 1.00 0.00 C ATOM 0 H ALA A 46 -2.545 -2.952 3.442 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.873 -3.992 4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.928 -5.889 3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.270 -4.341 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.668 -5.099 2.377 1.00 0.00 H new ATOM 659 N PRO A 47 -3.488 -6.110 5.668 1.00 0.00 N ATOM 660 CA PRO A 47 -2.640 -7.017 6.447 1.00 0.00 C ATOM 661 C PRO A 47 -1.681 -7.812 5.568 1.00 0.00 C ATOM 662 O PRO A 47 -2.007 -8.907 5.108 1.00 0.00 O ATOM 663 CB PRO A 47 -3.647 -7.953 7.122 1.00 0.00 C ATOM 664 CG PRO A 47 -4.841 -7.929 6.231 1.00 0.00 C ATOM 665 CD PRO A 47 -4.895 -6.545 5.647 1.00 0.00 C ATOM 0 HA PRO A 47 -2.003 -6.478 7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.246 -8.962 7.220 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.895 -7.610 8.126 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.757 -8.681 5.446 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.750 -8.152 6.790 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.298 -6.552 4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.529 -5.884 6.238 1.00 0.00 H new ATOM 673 N LEU A 48 -0.497 -7.255 5.339 1.00 0.00 N ATOM 674 CA LEU A 48 0.512 -7.913 4.515 1.00 0.00 C ATOM 675 C LEU A 48 0.412 -9.430 4.640 1.00 0.00 C ATOM 676 O LEU A 48 0.180 -10.129 3.654 1.00 0.00 O ATOM 677 CB LEU A 48 1.912 -7.448 4.919 1.00 0.00 C ATOM 678 CG LEU A 48 2.970 -7.466 3.815 1.00 0.00 C ATOM 679 CD1 LEU A 48 2.520 -6.625 2.631 1.00 0.00 C ATOM 680 CD2 LEU A 48 4.306 -6.969 4.349 1.00 0.00 C ATOM 0 H LEU A 48 -0.212 -6.350 5.712 1.00 0.00 H new ATOM 0 HA LEU A 48 0.331 -7.639 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.838 -6.432 5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.260 -8.077 5.738 1.00 0.00 H new ATOM 0 HG LEU A 48 3.097 -8.494 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.285 -6.650 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.588 -7.026 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.364 -5.596 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.047 -6.989 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.194 -5.949 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.634 -7.614 5.164 1.00 0.00 H new ATOM 692 N GLN A 49 0.587 -9.931 5.859 1.00 0.00 N ATOM 693 CA GLN A 49 0.516 -11.365 6.112 1.00 0.00 C ATOM 694 C GLN A 49 -0.515 -12.027 5.204 1.00 0.00 C ATOM 695 O GLN A 49 -0.238 -13.048 4.574 1.00 0.00 O ATOM 696 CB GLN A 49 0.166 -11.629 7.578 1.00 0.00 C ATOM 697 CG GLN A 49 -1.137 -10.981 8.018 1.00 0.00 C ATOM 698 CD GLN A 49 -1.285 -10.935 9.526 1.00 0.00 C ATOM 699 OE1 GLN A 49 -1.148 -9.878 10.143 1.00 0.00 O ATOM 700 NE2 GLN A 49 -1.567 -12.084 10.129 1.00 0.00 N ATOM 0 H GLN A 49 0.779 -9.365 6.686 1.00 0.00 H new ATOM 0 HA GLN A 49 1.494 -11.796 5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.100 -12.705 7.739 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.976 -11.262 8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.187 -9.967 7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.975 -11.532 7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.672 -12.936 9.579 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.679 -12.114 11.142 1.00 0.00 H new ATOM 709 N SER A 50 -1.706 -11.440 5.142 1.00 0.00 N ATOM 710 CA SER A 50 -2.780 -11.976 4.314 1.00 0.00 C ATOM 711 C SER A 50 -3.441 -10.869 3.498 1.00 0.00 C ATOM 712 O SER A 50 -4.454 -10.301 3.907 1.00 0.00 O ATOM 713 CB SER A 50 -3.825 -12.675 5.186 1.00 0.00 C ATOM 714 OG SER A 50 -3.257 -13.772 5.881 1.00 0.00 O ATOM 0 H SER A 50 -1.951 -10.593 5.655 1.00 0.00 H new ATOM 0 HA SER A 50 -2.347 -12.702 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.242 -11.965 5.900 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.650 -13.022 4.563 1.00 0.00 H new ATOM 0 HG SER A 50 -3.944 -14.201 6.432 1.00 0.00 H new ATOM 720 N VAL A 51 -2.860 -10.567 2.342 1.00 0.00 N ATOM 721 CA VAL A 51 -3.391 -9.529 1.467 1.00 0.00 C ATOM 722 C VAL A 51 -4.403 -10.105 0.482 1.00 0.00 C ATOM 723 O VAL A 51 -4.216 -10.028 -0.733 1.00 0.00 O ATOM 724 CB VAL A 51 -2.268 -8.828 0.680 1.00 0.00 C ATOM 725 CG1 VAL A 51 -2.846 -7.780 -0.258 1.00 0.00 C ATOM 726 CG2 VAL A 51 -1.260 -8.204 1.634 1.00 0.00 C ATOM 0 H VAL A 51 -2.021 -11.027 1.989 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.886 -8.799 2.107 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.751 -9.574 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.037 -7.296 -0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.526 -8.258 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.390 -7.034 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.473 -7.713 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.762 -7.470 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.822 -8.981 2.260 1.00 0.00 H new ATOM 736 N PHE A 52 -5.475 -10.683 1.014 1.00 0.00 N ATOM 737 CA PHE A 52 -6.517 -11.273 0.182 1.00 0.00 C ATOM 738 C PHE A 52 -7.521 -10.214 -0.265 1.00 0.00 C ATOM 739 O PHE A 52 -7.877 -10.140 -1.441 1.00 0.00 O ATOM 740 CB PHE A 52 -7.238 -12.386 0.944 1.00 0.00 C ATOM 741 CG PHE A 52 -6.516 -13.703 0.906 1.00 0.00 C ATOM 742 CD1 PHE A 52 -5.444 -13.945 1.749 1.00 0.00 C ATOM 743 CD2 PHE A 52 -6.911 -14.699 0.027 1.00 0.00 C ATOM 744 CE1 PHE A 52 -4.778 -15.156 1.718 1.00 0.00 C ATOM 745 CE2 PHE A 52 -6.249 -15.912 -0.008 1.00 0.00 C ATOM 746 CZ PHE A 52 -5.181 -16.140 0.837 1.00 0.00 C ATOM 0 H PHE A 52 -5.645 -10.755 2.017 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.044 -11.696 -0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.366 -12.081 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.236 -12.515 0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.124 -13.178 2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.745 -14.526 -0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.944 -15.332 2.381 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.567 -16.681 -0.696 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.662 -17.087 0.809 1.00 0.00 H new ATOM 756 N GLN A 53 -7.973 -9.399 0.682 1.00 0.00 N ATOM 757 CA GLN A 53 -8.937 -8.346 0.387 1.00 0.00 C ATOM 758 C GLN A 53 -8.607 -7.073 1.159 1.00 0.00 C ATOM 759 O GLN A 53 -7.914 -7.114 2.175 1.00 0.00 O ATOM 760 CB GLN A 53 -10.354 -8.811 0.728 1.00 0.00 C ATOM 761 CG GLN A 53 -10.858 -9.932 -0.166 1.00 0.00 C ATOM 762 CD GLN A 53 -11.866 -10.825 0.530 1.00 0.00 C ATOM 763 OE1 GLN A 53 -12.716 -10.351 1.284 1.00 0.00 O ATOM 764 NE2 GLN A 53 -11.777 -12.126 0.280 1.00 0.00 N ATOM 0 H GLN A 53 -7.687 -9.448 1.660 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.881 -8.127 -0.679 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.378 -9.146 1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.034 -7.963 0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.314 -9.503 -1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.013 -10.535 -0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.057 -12.476 -0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.429 -12.776 0.720 1.00 0.00 H new ATOM 773 N GLY A 54 -9.107 -5.943 0.670 1.00 0.00 N ATOM 774 CA GLY A 54 -8.854 -4.674 1.327 1.00 0.00 C ATOM 775 C GLY A 54 -10.030 -3.723 1.225 1.00 0.00 C ATOM 776 O GLY A 54 -10.348 -3.235 0.141 1.00 0.00 O ATOM 0 H GLY A 54 -9.683 -5.883 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.625 -4.852 2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.974 -4.208 0.883 1.00 0.00 H new ATOM 780 N GLN A 55 -10.677 -3.460 2.356 1.00 0.00 N ATOM 781 CA GLN A 55 -11.826 -2.563 2.387 1.00 0.00 C ATOM 782 C GLN A 55 -11.626 -1.459 3.420 1.00 0.00 C ATOM 783 O GLN A 55 -11.894 -0.287 3.152 1.00 0.00 O ATOM 784 CB GLN A 55 -13.102 -3.346 2.700 1.00 0.00 C ATOM 785 CG GLN A 55 -13.540 -4.270 1.575 1.00 0.00 C ATOM 786 CD GLN A 55 -14.536 -5.317 2.034 1.00 0.00 C ATOM 787 OE1 GLN A 55 -15.739 -5.064 2.091 1.00 0.00 O ATOM 788 NE2 GLN A 55 -14.037 -6.503 2.365 1.00 0.00 N ATOM 0 H GLN A 55 -10.425 -3.855 3.262 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.923 -2.102 1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.944 -3.936 3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.906 -2.643 2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.984 -3.677 0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.665 -4.766 1.156 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.033 -6.669 2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.658 -7.247 2.681 1.00 0.00 H new ATOM 797 N LYS A 56 -11.155 -1.840 4.603 1.00 0.00 N ATOM 798 CA LYS A 56 -10.919 -0.883 5.677 1.00 0.00 C ATOM 799 C LYS A 56 -10.045 -1.495 6.768 1.00 0.00 C ATOM 800 O LYS A 56 -9.998 -2.715 6.929 1.00 0.00 O ATOM 801 CB LYS A 56 -12.248 -0.417 6.275 1.00 0.00 C ATOM 802 CG LYS A 56 -12.169 0.943 6.947 1.00 0.00 C ATOM 803 CD LYS A 56 -13.292 1.134 7.952 1.00 0.00 C ATOM 804 CE LYS A 56 -14.604 1.480 7.264 1.00 0.00 C ATOM 805 NZ LYS A 56 -15.363 0.261 6.871 1.00 0.00 N ATOM 0 H LYS A 56 -10.929 -2.806 4.842 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.397 -0.024 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.999 -0.380 5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.587 -1.154 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.208 1.046 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.219 1.727 6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.416 0.223 8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.026 1.928 8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.214 2.088 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.402 2.083 6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.545 0.281 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.807 -0.585 7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.268 0.235 7.383 1.00 0.00 H new ATOM 819 N THR A 57 -9.355 -0.640 7.516 1.00 0.00 N ATOM 820 CA THR A 57 -8.484 -1.096 8.592 1.00 0.00 C ATOM 821 C THR A 57 -9.242 -1.980 9.576 1.00 0.00 C ATOM 822 O THR A 57 -10.403 -1.722 9.889 1.00 0.00 O ATOM 823 CB THR A 57 -7.866 0.090 9.356 1.00 0.00 C ATOM 824 OG1 THR A 57 -8.902 0.943 9.857 1.00 0.00 O ATOM 825 CG2 THR A 57 -6.936 0.889 8.455 1.00 0.00 C ATOM 0 H THR A 57 -9.383 0.373 7.396 1.00 0.00 H new ATOM 0 HA THR A 57 -7.686 -1.675 8.128 1.00 0.00 H new ATOM 0 HB THR A 57 -7.286 -0.306 10.190 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.254 0.573 10.694 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.512 1.721 9.017 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.132 0.245 8.098 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.497 1.274 7.603 1.00 0.00 H new ATOM 833 N GLU A 58 -8.576 -3.024 10.060 1.00 0.00 N ATOM 834 CA GLU A 58 -9.189 -3.946 11.009 1.00 0.00 C ATOM 835 C GLU A 58 -9.820 -3.189 12.174 1.00 0.00 C ATOM 836 O GLU A 58 -11.002 -3.361 12.472 1.00 0.00 O ATOM 837 CB GLU A 58 -8.149 -4.938 11.535 1.00 0.00 C ATOM 838 CG GLU A 58 -8.756 -6.167 12.191 1.00 0.00 C ATOM 839 CD GLU A 58 -7.725 -7.238 12.489 1.00 0.00 C ATOM 840 OE1 GLU A 58 -6.557 -6.881 12.747 1.00 0.00 O ATOM 841 OE2 GLU A 58 -8.087 -8.433 12.463 1.00 0.00 O ATOM 0 H GLU A 58 -7.614 -3.252 9.811 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.973 -4.495 10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.512 -5.255 10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.508 -4.431 12.256 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.248 -5.874 13.118 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.525 -6.580 11.539 1.00 0.00 H new ATOM 848 N SER A 59 -9.023 -2.351 12.828 1.00 0.00 N ATOM 849 CA SER A 59 -9.501 -1.570 13.963 1.00 0.00 C ATOM 850 C SER A 59 -10.278 -0.345 13.491 1.00 0.00 C ATOM 851 O SER A 59 -10.102 0.120 12.365 1.00 0.00 O ATOM 852 CB SER A 59 -8.327 -1.135 14.842 1.00 0.00 C ATOM 853 OG SER A 59 -7.575 -0.109 14.217 1.00 0.00 O ATOM 0 H SER A 59 -8.043 -2.195 12.592 1.00 0.00 H new ATOM 0 HA SER A 59 -10.170 -2.200 14.549 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.700 -0.783 15.804 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.683 -1.991 15.044 1.00 0.00 H new ATOM 0 HG SER A 59 -6.832 0.153 14.799 1.00 0.00 H new ATOM 859 N GLY A 60 -11.140 0.173 14.361 1.00 0.00 N ATOM 860 CA GLY A 60 -11.932 1.339 14.015 1.00 0.00 C ATOM 861 C GLY A 60 -11.587 2.547 14.864 1.00 0.00 C ATOM 862 O GLY A 60 -11.705 2.526 16.089 1.00 0.00 O ATOM 0 H GLY A 60 -11.304 -0.194 15.299 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.776 1.581 12.964 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.990 1.105 14.135 1.00 0.00 H new ATOM 866 N PRO A 61 -11.146 3.630 14.207 1.00 0.00 N ATOM 867 CA PRO A 61 -10.772 4.872 14.890 1.00 0.00 C ATOM 868 C PRO A 61 -11.979 5.597 15.476 1.00 0.00 C ATOM 869 O PRO A 61 -12.720 6.269 14.759 1.00 0.00 O ATOM 870 CB PRO A 61 -10.133 5.709 13.779 1.00 0.00 C ATOM 871 CG PRO A 61 -10.739 5.193 12.520 1.00 0.00 C ATOM 872 CD PRO A 61 -10.980 3.726 12.747 1.00 0.00 C ATOM 0 HA PRO A 61 -10.112 4.688 15.738 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.342 6.770 13.913 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.049 5.596 13.772 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.671 5.711 12.295 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.073 5.352 11.672 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.867 3.378 12.218 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.143 3.122 12.397 1.00 0.00 H new ATOM 880 N SER A 62 -12.169 5.458 16.785 1.00 0.00 N ATOM 881 CA SER A 62 -13.288 6.098 17.467 1.00 0.00 C ATOM 882 C SER A 62 -13.104 7.611 17.511 1.00 0.00 C ATOM 883 O SER A 62 -12.419 8.139 18.387 1.00 0.00 O ATOM 884 CB SER A 62 -13.428 5.547 18.887 1.00 0.00 C ATOM 885 OG SER A 62 -12.204 5.643 19.594 1.00 0.00 O ATOM 0 H SER A 62 -11.563 4.908 17.394 1.00 0.00 H new ATOM 0 HA SER A 62 -14.197 5.877 16.908 1.00 0.00 H new ATOM 0 HB2 SER A 62 -14.203 6.098 19.419 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.748 4.506 18.847 1.00 0.00 H new ATOM 0 HG SER A 62 -11.804 6.524 19.437 1.00 0.00 H new ATOM 891 N SER A 63 -13.720 8.304 16.559 1.00 0.00 N ATOM 892 CA SER A 63 -13.622 9.758 16.486 1.00 0.00 C ATOM 893 C SER A 63 -14.975 10.408 16.760 1.00 0.00 C ATOM 894 O SER A 63 -15.049 11.499 17.323 1.00 0.00 O ATOM 895 CB SER A 63 -13.106 10.186 15.111 1.00 0.00 C ATOM 896 OG SER A 63 -13.837 9.557 14.073 1.00 0.00 O ATOM 0 H SER A 63 -14.292 7.883 15.827 1.00 0.00 H new ATOM 0 HA SER A 63 -12.918 10.090 17.250 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.184 11.269 15.011 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.050 9.933 15.021 1.00 0.00 H new ATOM 0 HG SER A 63 -13.489 9.849 13.205 1.00 0.00 H new ATOM 902 N GLY A 64 -16.044 9.728 16.356 1.00 0.00 N ATOM 903 CA GLY A 64 -17.380 10.254 16.566 1.00 0.00 C ATOM 904 C GLY A 64 -17.858 11.102 15.404 1.00 0.00 C ATOM 905 O GLY A 64 -17.504 10.810 14.263 1.00 0.00 O ATOM 0 H GLY A 64 -16.008 8.823 15.887 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.073 9.427 16.717 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.393 10.852 17.477 1.00 0.00 H new TER 909 GLY A 64 HETATM 910 ZN ZN A 201 7.955 4.392 6.138 1.00 0.00 ZN HETATM 911 ZN ZN A 401 -0.333 4.867 -0.429 1.00 0.00 ZN